# text_key_values

key: InChI
value:
  InChI=1S/C25H17F4N5O3/c1-10-5-6-33(3)21(10)22-11(2)7-14(34(22)4)24-16(28)17(29)25(36-24)20-19-18(31-37-32-19)12(8-30-20)23-15(27)13(26)9-35-23/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C23H11F4N3O5/c1-8-3-4-31-19(8)20-9(2)5-12(33-20)22-14(26)15(27)23(34-22)18-17-16(29-35-30-17)10(6-28-18)21-13(25)11(24)7-32-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C23H11F4N3O3S2/c1-8-3-4-34-22(8)23-9(2)5-12(35-23)20-14(26)15(27)21(32-20)18-17-16(29-33-30-17)10(6-28-18)19-13(25)11(24)7-31-19/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C23H11F6N5O3/c1-33-4-3-9(24)19(33)20-10(25)5-12(34(20)2)22-14(28)15(29)23(36-22)18-17-16(31-37-32-17)8(6-30-18)21-13(27)11(26)7-35-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C21H5F6N3O3S2/c22-7-1-2-34-20(7)21-8(23)3-10(35-21)18-12(26)13(27)19(32-18)16-15-14(29-33-30-15)6(4-28-16)17-11(25)9(24)5-31-17/h1-5H


key: InChI
value:
  InChI=1S/C25H17F4N5O5/c1-33-6-5-13(35-3)21(33)22-14(36-4)7-12(34(22)2)24-16(28)17(29)25(38-24)20-19-18(31-39-32-19)10(8-30-20)23-15(27)11(26)9-37-23/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C23H11F4N3O5S2/c1-31-10-3-4-36-22(10)23-11(32-2)5-12(37-23)20-14(26)15(27)21(34-20)18-17-16(29-35-30-17)8(6-28-18)19-13(25)9(24)7-33-19/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C23H5F6N3O3S2/c24-9-5-33-19(13(9)27)8-4-30-18(17-16(8)31-35-32-17)21-15(29)14(28)20(34-21)10-3-7-12(26)22-6(1-2-36-22)11(25)23(7)37-10/h1-5H


key: InChI
value:
  InChI=1S/C23H13F4N5O3/c1-31-7-3-4-12(31)13-5-6-14(32(13)2)22-16(26)17(27)23(34-22)20-19-18(29-35-30-19)10(8-28-20)21-15(25)11(24)9-33-21/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C23H11F4N3O5S2/c1-36-11-3-4-31-21(11)22-12(37-2)5-10(33-22)20-14(26)15(27)23(34-20)18-17-16(29-35-30-17)8(6-28-18)19-13(25)9(24)7-32-19/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C21H7F4N3O5/c22-9-7-30-19(13(9)23)8-6-26-18(17-16(8)27-33-28-17)21-15(25)14(24)20(32-21)12-4-3-11(31-12)10-2-1-5-29-10/h1-7H


key: InChI
value:
  InChI=1S/C21H7F4N3O3S2/c22-9-7-29-19(13(9)23)8-6-26-18(17-16(8)27-31-28-17)21-15(25)14(24)20(30-21)12-4-3-11(33-12)10-2-1-5-32-10/h1-7H


key: InChI
value:
  InChI=1S/C23H11F4N3O7/c1-31-10-3-4-33-21(10)22-11(32-2)5-12(35-22)20-14(26)15(27)23(36-20)18-17-16(29-37-30-17)8(6-28-18)19-13(25)9(24)7-34-19/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C25H17F4N5O3S2/c1-33-6-5-13(38-3)21(33)22-14(39-4)7-12(34(22)2)24-16(28)17(29)25(36-24)20-19-18(31-37-32-19)10(8-30-20)23-15(27)11(26)9-35-23/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F6N5O3/c1-8-13-11(28)6-37(3)22(13)9(2)14-16(31)24(38(4)23(8)14)27-18(33)17(32)26(40-27)21-20-19(35-41-36-20)10(5-34-21)25-15(30)12(29)7-39-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C23H5F6N3O5/c24-9-4-33-11-2-7-12(1-6(9)11)35-22(13(7)26)23-16(29)15(28)21(36-23)19-18-17(31-37-32-18)8(3-30-19)20-14(27)10(25)5-34-20/h1-5H


key: InChI
value:
  InChI=1S/C27H15F4N3O3S2/c1-8-7-38-25-10(3)15-11(4)27(39-26(15)9(2)14(8)25)24-18(31)17(30)23(36-24)21-20-19(33-37-34-20)12(5-32-21)22-16(29)13(28)6-35-22/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H9F6N3O3S2/c1-6-11-10(27)5-38-23(11)7(2)12-14(29)25(39-24(6)12)22-16(31)15(30)21(36-22)19-18-17(33-37-34-18)8(3-32-19)20-13(28)9(26)4-35-20/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C29H21F4N5O5/c1-10-15-14(39-5)8-37(3)23(15)11(2)16-24(10)38(4)25(27(16)40-6)29-19(33)18(32)28(42-29)22-21-20(35-43-36-21)12(7-34-22)26-17(31)13(30)9-41-26/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H15F4N3O7/c1-8-13-12(35-3)7-38-21(13)9(2)14-22(8)39-27(24(14)36-4)26-17(31)16(30)25(40-26)20-19-18(33-41-34-19)10(5-32-20)23-15(29)11(28)6-37-23/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O5/c1-8-6-35-22-10(3)15-11(4)24(37-23(15)9(2)14(8)22)27-18(31)17(30)26(38-27)21-20-19(33-39-34-20)12(5-32-21)25-16(29)13(28)7-36-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O5S2/c1-12-11-32-24-18(12)26(36-3)25-19(27(24)37-4)13(2)23(34-25)17-8-7-16(33-17)21-22-20(29-35-30-22)14(10-28-21)15-6-5-9-31-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H17F4N5O3/c1-10-12-5-6-35(3)23(12)11(2)13-7-16(36(4)24(10)13)26-18(30)19(31)27(38-26)22-21-20(33-39-34-21)14(8-32-22)25-17(29)15(28)9-37-25/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C25H11F4N3O5/c1-8-10-3-4-33-21(10)9(2)11-5-14(35-22(8)11)24-16(28)17(29)25(36-24)20-19-18(31-37-32-19)12(6-30-20)23-15(27)13(26)7-34-23/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C25H11F4N3O3S2/c1-8-10-3-4-36-24(10)9(2)11-5-14(37-25(8)11)22-16(28)17(29)23(34-22)20-19-18(31-35-32-19)12(6-30-20)21-15(27)13(26)7-33-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C28H24N6O2/c1-15-17-10-12-35-27(17)16(2)18-13-23(36-28(15)18)21-8-9-22(33(21)4)25-26-24(30-34(5)31-26)19(14-29-25)20-7-6-11-32(20)3/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C25H9F6N3O5/c1-6-4-35-22-10(6)13(28)23-11(14(22)29)7(2)20(37-23)25-16(31)15(30)24(38-25)19-18-17(33-39-34-18)8(3-32-19)21-12(27)9(26)5-36-21/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C27H15F4N3O5S2/c1-8-13-12(35-3)7-40-25(13)9(2)14-22(36-4)27(41-26(8)14)24-17(31)16(30)23(38-24)20-19-18(33-39-34-19)10(5-32-20)21-15(29)11(28)6-37-21/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O5S2/c1-8-13-12(40-3)7-36-21(13)9(2)14-22(8)37-26(27(14)41-4)25-17(31)16(30)24(38-25)20-19-18(33-39-34-19)10(5-32-20)23-15(29)11(28)6-35-23/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O3S4/c1-8-13-12(38-3)7-40-24(13)9(2)14-25(8)41-27(26(14)39-4)23-17(31)16(30)22(36-23)20-19-18(33-37-34-19)10(5-32-20)21-15(29)11(28)6-35-21/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F6N5O3/c1-8-6-37(3)23-12(8)15(30)24-13(16(23)31)9(2)22(38(24)4)27-18(33)17(32)26(40-27)21-20-19(35-41-36-20)10(5-34-21)25-14(29)11(28)7-39-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H9F6N3O3S2/c1-6-5-38-24-10(6)13(28)25-11(14(24)29)7(2)23(39-25)22-16(31)15(30)21(36-22)19-18-17(33-37-34-18)8(3-32-19)20-12(27)9(26)4-35-20/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C25H11F4N3O5/c1-8-6-33-14-4-11-9(2)22(35-15(11)3-10(8)14)25-18(29)17(28)24(36-25)21-20-19(31-37-32-20)12(5-30-21)23-16(27)13(26)7-34-23/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C25H9F8N5O3/c1-37-4-7(26)9-12(29)21-10(13(30)20(9)37)14(31)22(38(21)2)25-16(33)15(32)24(40-25)19-18-17(35-41-36-18)6(3-34-19)23-11(28)8(27)5-39-23/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C26H16F4N6O2/c1-34-8-4-5-13(34)11-9-31-22(23-21(11)32-36(3)33-23)14-6-7-15(35(14)2)24-19(29)17-20(30)25-16(12(27)10-37-25)18(28)26(17)38-24/h4-10H,1-3H3


key: InChI
value:
  InChI=1S/C25H11F6N5O3/c1-35-4-3-8-13(27)22-9(14(28)21(8)35)5-12(36(22)2)24-16(30)17(31)25(38-24)20-19-18(33-39-34-19)10(6-32-20)23-15(29)11(26)7-37-23/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C27H15F6N5O5/c1-37-6-10(39-3)11-14(30)22-12(15(31)21(11)37)25(40-4)23(38(22)2)27-17(33)16(32)26(42-27)20-19-18(35-43-36-19)8(5-34-20)24-13(29)9(28)7-41-24/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H9F6N3O7/c1-35-8-5-38-20-9(8)12(28)21-10(13(20)29)22(36-2)25(39-21)24-15(31)14(30)23(40-24)18-17-16(33-41-34-17)6(3-32-18)19-11(27)7(26)4-37-19/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C26H16F4N6S2/c1-34-8-4-5-13(34)11-9-31-22(23-21(11)32-36(3)33-23)14-6-7-15(35(14)2)24-19(29)17-20(30)25-16(12(27)10-37-25)18(28)26(17)38-24/h4-10H,1-3H3


key: InChI
value:
  InChI=1S/C25H9F6N3O5S2/c1-35-8-5-40-23-9(8)12(28)24-10(13(23)29)20(36-2)25(41-24)22-15(31)14(30)21(38-22)18-17-16(33-39-34-17)6(3-32-18)19-11(27)7(26)4-37-19/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C27H15F6N5O3S2/c1-37-6-10(42-3)11-14(30)22-12(15(31)21(11)37)27(43-4)23(38(22)2)26-17(33)16(32)25(40-26)20-19-18(35-41-36-19)8(5-34-20)24-13(29)9(28)7-39-24/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H9F6N3O5S2/c1-40-8-5-36-20-9(8)12(28)21-10(13(20)29)25(41-2)24(37-21)23-15(31)14(30)22(38-23)18-17-16(33-39-34-17)6(3-32-18)19-11(27)7(26)4-35-19/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C25H9F6N3O3S4/c1-38-8-5-40-22-9(8)12(28)23-10(13(22)29)24(39-2)25(41-23)21-15(31)14(30)20(36-21)18-17-16(33-37-34-17)6(3-32-18)19-11(27)7(26)4-35-19/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C32H34N8O2/c1-17-24-23(41-8)16-37(4)29(24)18(2)25-30(17)39(6)31(32(25)42-9)22-13-12-21(38(22)5)27-28-26(34-40(7)35-28)19(15-33-27)20-11-10-14-36(20)3/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C27H17F4N5O3/c1-10-8-35(3)16-6-13-11(2)24(36(4)17(13)5-12(10)16)27-20(31)19(30)26(38-27)23-22-21(33-39-34-22)14(7-32-23)25-18(29)15(28)9-37-25/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C25H11F4N3O3S2/c1-8-7-36-14-4-11-9(2)25(37-15(11)3-10(8)14)24-18(29)17(28)23(34-24)21-20-19(31-35-32-20)12(5-30-21)22-16(27)13(26)6-33-22/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C23H7F4N3O5/c24-11-7-32-21(15(11)25)10-6-28-20(19-18(10)29-35-30-19)23-17(27)16(26)22(34-23)14-5-9-4-12-8(1-2-31-12)3-13(9)33-14/h1-7H


key: InChI
value:
  InChI=1S/C27H17F4N5O5/c1-35-8-16(37-3)10-5-15-11(6-14(10)35)25(38-4)23(36(15)2)27-19(31)18(30)26(40-27)22-21-20(33-41-34-21)12(7-32-22)24-17(29)13(28)9-39-24/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C26H12N6S6Si2/c1-3-27-20(19-10(1)29-37-31-19)12-6-17-26(36-12)25-15(40-17)5-11(34-25)9-8-28-21(22-18(9)30-38-32-22)13-7-16-24(35-13)23-14(39-16)2-4-33-23/h1-8H,39-40H2


key: InChI
value:
  InChI=1S/C25H13F4N5O3/c1-33-4-3-10-5-15-11(6-14(10)33)7-16(34(15)2)24-18(28)19(29)25(36-24)22-21-20(31-37-32-21)12(8-30-22)23-17(27)13(26)9-35-23/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C25H11F4N3O5S2/c1-33-12-7-38-13-4-9-14(3-8(12)13)39-25(22(9)34-2)24-17(29)16(28)23(36-24)20-19-18(31-37-32-19)10(5-30-20)21-15(27)11(26)6-35-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C26H12N6O2S4/c1-2-16(35-11-1)17-5-7-21(37-17)25-26-22(30-34-32-26)13(12-28-25)15-3-4-18(36-15)19-6-8-20(38-19)24-23-14(9-10-27-24)29-33-31-23/h1-12H


key: InChI
value:
  InChI=1S/C25H11F6N5O3/c1-35-6-11(26)8-3-14-9(4-13(8)35)15(28)22(36(14)2)25-18(31)17(30)24(38-25)21-20-19(33-39-34-20)10(5-32-21)23-16(29)12(27)7-37-23/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C27H17F4N5O3S2/c1-35-8-16(40-3)10-5-15-11(6-14(10)35)27(41-4)23(36(15)2)26-19(31)18(30)25(38-26)22-21-20(33-39-34-21)12(7-32-22)24-17(29)13(28)9-37-24/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C25H11F4N3O7/c1-33-14-7-35-12-4-9-13(3-8(12)14)37-25(22(9)34-2)24-17(29)16(28)23(38-24)20-19-18(31-39-32-19)10(5-30-20)21-15(27)11(26)6-36-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C26H18F2N6O2/c1-32-9-4-5-16(32)15-12-29-23(24-22(15)30-34(3)31-24)18-7-6-17(33(18)2)19-11-14-21(28)25-13(8-10-35-25)20(27)26(14)36-19/h4-12H,1-3H3


key: InChI
value:
  InChI=1S/C27H15F4N3O7/c1-8-6-37-24-12(8)22(35-3)25-13(23(24)36-4)9(2)20(39-25)27-16(31)15(30)26(40-27)19-18-17(33-41-34-18)10(5-32-19)21-14(29)11(28)7-38-21/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H11F4N3O3S4/c1-36-14-7-38-12-4-9-13(3-8(12)14)39-25(24(9)37-2)23-17(29)16(28)22(34-23)20-19-18(31-35-32-19)10(5-30-20)21-15(27)11(26)6-33-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C27H15F6N5O5/c1-37-6-9(28)11-20(37)25(40-4)12-14(31)22(38(2)21(12)24(11)39-3)27-16(33)15(32)26(42-27)19-18-17(35-43-36-18)8(5-34-19)23-13(30)10(29)7-41-23/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H9F6N3O7/c1-35-19-9-7(26)4-38-21(9)20(36-2)10-12(29)24(39-22(10)19)25-14(31)13(30)23(40-25)17-16-15(33-41-34-16)6(3-32-17)18-11(28)8(27)5-37-18/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C27H17F4N5O5/c1-35-6-5-10-21(35)25(38-4)11-7-14(36(2)22(11)24(10)37-3)26-16(30)17(31)27(40-26)20-19-18(33-41-34-19)12(8-32-20)23-15(29)13(28)9-39-23/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F4N5O7/c1-37-8-12(39-3)13-21(37)26(41-5)14-22(25(13)40-4)38(2)23(27(14)42-6)29-17(33)16(32)28(44-29)20-19-18(35-45-36-19)10(7-34-20)24-15(31)11(30)9-43-24/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C30H28F2N8/c1-15-14-37(4)29-21(15)23(31)30-22(24(29)32)16(2)28(39(30)6)20-11-10-19(38(20)5)26-27-25(34-40(7)35-27)17(13-33-26)18-9-8-12-36(18)3/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C25H11F4N3O5S2/c1-33-20-8-3-4-38-24(8)21(34-2)9-5-12(39-25(9)20)22-14(28)15(29)23(36-22)18-17-16(31-37-32-17)10(6-30-18)19-13(27)11(26)7-35-19/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C25H9F6N3O5S2/c1-35-19-9-8(27)5-40-23(9)20(36-2)10-12(29)25(41-24(10)19)22-14(31)13(30)21(38-22)17-16-15(33-39-34-16)6(3-32-17)18-11(28)7(26)4-37-18/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C27H15F4N3O9/c1-35-10-7-40-23-11(10)20(36-2)24-12(21(23)37-3)22(38-4)27(41-24)26-15(31)14(30)25(42-26)18-17-16(33-43-34-17)8(5-32-18)19-13(29)9(28)6-39-19/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O7S2/c1-35-10-7-42-25-11(10)20(36-2)26-12(21(25)37-3)22(38-4)27(43-26)24-15(31)14(30)23(40-24)18-17-16(33-41-34-17)8(5-32-18)19-13(29)9(28)6-39-19/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F4N5O5S2/c1-37-8-12(44-5)13-21(37)26(40-4)14-22(25(13)39-3)38(2)23(29(14)45-6)28-17(33)16(32)27(42-28)20-19-18(35-43-36-19)10(7-34-20)24-15(31)11(30)9-41-24/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H15F4N3O5S4/c1-35-20-11-10(40-3)7-42-24(11)21(36-2)12-25(20)43-27(26(12)41-4)23-15(31)14(30)22(38-23)18-17-16(33-39-34-17)8(5-32-18)19-13(29)9(28)6-37-19/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H11F4N3O3S4/c1-36-22-8-3-4-38-24(8)23(37-2)9-5-12(39-25(9)22)20-14(28)15(29)21(34-20)18-17-16(31-35-32-17)10(6-30-18)19-13(27)11(26)7-33-19/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C28H22F2N6O2/c1-13-12-37-27-19(13)21(29)28-20(22(27)30)14(2)26(38-28)18-9-8-17(35(18)4)24-25-23(32-36(5)33-25)15(11-31-24)16-7-6-10-34(16)3/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C27H17F4N5O3S2/c1-35-6-5-10-21(35)27(41-4)11-7-14(36(2)22(11)26(10)40-3)24-16(30)17(31)25(38-24)20-19-18(33-39-34-19)12(8-32-20)23-15(29)13(28)9-37-23/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O5S2/c1-8-6-35-22-12(8)26(40-3)23-13(27(22)41-4)9(2)20(37-23)25-16(31)15(30)24(38-25)19-18-17(33-39-34-18)10(5-32-19)21-14(29)11(28)7-36-21/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H9F6N3O3S4/c1-38-21-9-8(27)5-40-23(9)22(39-2)10-12(29)25(41-24(10)21)20-14(31)13(30)19(36-20)17-16-15(33-37-34-16)6(3-32-17)18-11(28)7(26)4-35-18/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C25H11F4N3O5S2/c1-38-24-8-3-4-33-20(8)25(39-2)9-5-12(35-21(9)24)22-14(28)15(29)23(36-22)18-17-16(31-37-32-17)10(6-30-18)19-13(27)11(26)7-34-19/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C25H9F6N3O5S2/c1-40-24-9-7(26)4-36-19(9)25(41-2)10-12(29)22(37-20(10)24)23-14(31)13(30)21(38-23)17-16-15(33-39-34-16)6(3-32-17)18-11(28)8(27)5-35-18/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C27H15F4N3O3S4/c1-8-7-40-26-12(8)24(38-3)27-13(25(26)39-4)9(2)23(41-27)22-16(31)15(30)21(36-22)19-18-17(33-37-34-18)10(5-32-19)20-14(29)11(28)6-35-20/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C23H11F4N3S5/c1-8-3-4-31-19(8)20-9(2)5-12(33-20)22-14(26)15(27)23(34-22)18-17-16(29-35-30-17)10(6-28-18)21-13(25)11(24)7-32-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C29H21F4N5O3S2/c1-10-8-37(3)23-14(10)28(42-5)24-15(29(23)43-6)11(2)22(38(24)4)27-18(33)17(32)26(40-27)21-20-19(35-41-36-20)12(7-34-21)25-16(31)13(30)9-39-25/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H15F4N3O7S2/c1-35-10-7-38-21-11(10)26(42-3)22-12(27(21)43-4)20(36-2)25(39-22)24-15(31)14(30)23(40-24)18-17-16(33-41-34-17)8(5-32-18)19-13(29)9(28)6-37-19/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F4N5O3S4/c1-37-8-12(42-3)13-21(37)28(44-5)14-22(27(13)43-4)38(2)23(29(14)45-6)26-17(33)16(32)25(40-26)20-19-18(35-41-36-19)10(7-34-20)24-15(31)11(30)9-39-24/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H15F4N3O5S4/c1-40-10-7-36-20-11(10)25(41-2)21-12(26(20)42-3)27(43-4)24(37-21)23-15(31)14(30)22(38-23)18-17-16(33-39-34-17)8(5-32-18)19-13(29)9(28)6-35-19/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C23H11F4N3O2S3/c1-8-3-4-31-19(8)20-9(2)5-12(32-20)22-14(26)15(27)23(34-22)18-17-16(29-35-30-17)10(6-28-18)21-13(25)11(24)7-33-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C26H8F4N6O2S4/c27-10-2-4-39-23(10)24-12(29)6-17(41-24)21-22-18(34-38-36-22)9(8-32-21)15-5-11(28)25(40-15)26-13(30)7-16(42-26)20-19-14(1-3-31-20)33-37-35-19/h1-8H


key: InChI
value:
  InChI=1S/C25H17F4N5S3/c1-10-5-6-33(3)21(10)22-11(2)7-14(34(22)4)24-16(28)17(29)25(36-24)20-19-18(31-37-32-19)12(8-30-20)23-15(27)13(26)9-35-23/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C23H11F6N5S3/c1-33-4-3-9(24)19(33)20-10(25)5-12(34(20)2)22-14(28)15(29)23(36-22)18-17-16(31-37-32-17)8(6-30-18)21-13(27)11(26)7-35-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C23H3F8N3O2S3/c24-5-2-35-18-7(5)10(27)19-8(11(18)28)12(29)20(36-19)23-14(31)13(30)22(38-23)17-16-15(33-39-34-16)4(1-32-17)21-9(26)6(25)3-37-21/h1-3H


key: InChI
value:
  InChI=1S/C21H5F6N3O2S3/c22-7-1-2-31-17(7)18-8(23)3-10(32-18)20-12(26)13(27)21(34-20)16-15-14(29-35-30-15)6(4-28-16)19-11(25)9(24)5-33-19/h1-5H


key: InChI
value:
  InChI=1S/C21H7F4N3O2S3/c22-9-7-31-19(13(9)23)8-6-26-18(17-16(8)27-33-28-17)21-15(25)14(24)20(32-21)12-4-3-11(30-12)10-2-1-5-29-10/h1-7H


key: InChI
value:
  InChI=1S/C21H5F6N3S5/c22-7-1-2-31-18(7)19-8(23)3-10(33-19)20-12(26)13(27)21(34-20)16-15-14(29-35-30-15)6(4-28-16)17-11(25)9(24)5-32-17/h1-5H


key: InChI
value:
  InChI=1S/C21H7F4N3S5/c22-9-7-30-19(13(9)23)8-6-26-18(17-16(8)27-33-28-17)21-15(25)14(24)20(32-21)12-4-3-11(31-12)10-2-1-5-29-10/h1-7H


key: InChI
value:
  InChI=1S/C23H11F4N3O4S3/c1-31-10-3-4-33-19(10)20-11(32-2)5-12(34-20)22-14(26)15(27)23(36-22)18-17-16(29-37-30-17)8(6-28-18)21-13(25)9(24)7-35-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C28H22F4N8/c1-36-10-6-7-15(36)13-11-33-24(25-23(13)34-40(5)35-25)16-8-9-17(38(16)3)26-21(31)19-22(32)27-18(14(29)12-37(27)2)20(30)28(19)39(26)4/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C25H17F4N5O2S3/c1-33-6-5-13(35-3)21(33)22-14(36-4)7-12(34(22)2)24-16(28)17(29)25(38-24)20-19-18(31-39-32-19)10(8-30-20)23-15(27)11(26)9-37-23/h5-9H,1-4H3


key: SMILES
value:
  c1(nccc2c1non2)c1c(c2c(c(c3c(c2C)oc(c3F)c2cnc(c3c2non3)C2=C([C]3C(=C([C]4C(=C3C)OC=C4F)C)O2)F)C)o1)F	


key: CAN_SMILES
value:
  FC1=COC2=C([C]3C(=C([C]12)C)OC(=C3F)c1ncc(c2c1non2)c1oc2c(c1F)c(C)c1c(c2C)c(F)c(o1)c1nccc2c1non2)C	


key: InChI
value:
  InChI=1S/C34H16F4N6O6/c1-9-16-14(35)8-45-28(16)10(2)17-21(37)34(47-29(9)17)27-25-23(42-50-44-25)13(7-40-27)32-20(36)18-11(3)31-19(12(4)30(18)46-32)22(38)33(48-31)26-24-15(5-6-39-26)41-49-43-24/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C23H13F4N5S3/c1-31-7-3-4-12(31)13-5-6-14(32(13)2)22-16(26)17(27)23(34-22)20-19-18(29-35-30-19)10(8-28-20)21-15(25)11(24)9-33-21/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C23H11F4N3O2S5/c1-31-10-3-4-33-20(10)21-11(32-2)5-12(35-21)22-14(26)15(27)23(36-22)18-17-16(29-37-30-17)8(6-28-18)19-13(25)9(24)7-34-19/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C27H15F4N3O2S3/c1-8-6-35-22-10(3)15-11(4)24(36-23(15)9(2)14(8)22)27-18(31)17(30)26(38-27)21-20-19(33-39-34-20)12(5-32-21)25-16(29)13(28)7-37-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O4S3/c1-8-13-12(35-3)6-37-21(13)9(2)14-22(8)38-24(23(14)36-4)27-17(31)16(30)26(40-27)20-19-18(33-41-34-19)10(5-32-20)25-15(29)11(28)7-39-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3S5/c1-8-6-35-22-10(3)15-11(4)24(37-23(15)9(2)14(8)22)27-18(31)17(30)26(38-27)21-20-19(33-39-34-20)12(5-32-21)25-16(29)13(28)7-36-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3S7/c1-8-13-12(35-3)7-38-21(13)9(2)14-22(8)39-27(24(14)36-4)26-17(31)16(30)25(40-26)20-19-18(33-41-34-19)10(5-32-20)23-15(29)11(28)6-37-23/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C23H11F4N3O2S5/c1-33-11-3-4-31-19(11)20-12(34-2)5-10(32-20)22-14(26)15(27)23(36-22)18-17-16(29-37-30-17)8(6-28-18)21-13(25)9(24)7-35-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C25H11F4N3S5/c1-8-10-3-4-33-21(10)9(2)11-5-14(35-22(8)11)24-16(28)17(29)25(36-24)20-19-18(31-37-32-19)12(6-30-20)23-15(27)13(26)7-34-23/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C23H5F6N3O2S3/c24-9-5-35-21(13(9)27)8-4-30-18(17-16(8)31-37-32-17)23-15(29)14(28)22(36-23)10-3-7-12(26)19-6(1-2-33-19)11(25)20(7)34-10/h1-5H


key: InChI
value:
  InChI=1S/C23H11F4N3S7/c1-31-10-3-4-33-21(10)22-11(32-2)5-12(35-22)20-14(26)15(27)23(36-20)18-17-16(29-37-30-17)8(6-28-18)19-13(25)9(24)7-34-19/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C25H9F6N3S5/c1-6-11-9(26)4-35-20(11)7(2)12-14(29)24(37-21(6)12)25-16(31)15(30)23(38-25)19-18-17(33-39-34-18)8(3-32-19)22-13(28)10(27)5-36-22/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C27H17F4N5S3/c1-10-12-5-6-35(3)23(12)11(2)13-7-16(36(4)24(10)13)26-18(30)19(31)27(38-26)22-21-20(33-39-34-21)14(8-32-22)25-17(29)15(28)9-37-25/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F4N5O2S3/c1-10-15-14(39-5)8-37(3)23(15)11(2)16-24(10)38(4)25(26(16)40-6)29-19(33)18(32)28(42-29)22-21-20(35-43-36-21)12(7-34-22)27-17(31)13(30)9-41-27/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H15F4N3O2S5/c1-8-13-12(35-3)7-38-22(13)9(2)14-21(36-4)27(39-23(8)14)26-17(31)16(30)25(40-26)20-19-18(33-41-34-19)10(5-32-20)24-15(29)11(28)6-37-24/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F4N5S5/c1-10-15-14(39-5)8-37(3)23(15)11(2)16-24(10)38(4)25(27(16)40-6)29-19(33)18(32)28(42-29)22-21-20(35-43-36-21)12(7-34-22)26-17(31)13(30)9-41-26/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H15F4N3O2S5/c1-8-13-12(37-3)6-35-21(13)9(2)14-22(8)36-23(25(14)38-4)27-17(31)16(30)26(40-27)20-19-18(33-41-34-19)10(5-32-20)24-15(29)11(28)7-39-24/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H9F8N5S3/c1-37-4-7(26)9-12(29)21-10(13(30)20(9)37)14(31)22(38(21)2)25-16(33)15(32)24(40-25)19-18-17(35-41-36-18)6(3-34-19)23-11(28)8(27)5-39-23/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C28H22F2N6S2/c1-13-12-37-27-19(13)21(29)28-20(22(27)30)14(2)26(38-28)18-9-8-17(35(18)4)24-25-23(32-36(5)33-25)15(11-31-24)16-7-6-10-34(16)3/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C27H15F6N5O2S3/c1-37-6-10(39-3)11-14(30)22-12(15(31)21(11)37)24(40-4)23(38(22)2)27-17(33)16(32)26(42-27)20-19-18(35-43-36-19)8(5-34-20)25-13(29)9(28)7-41-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C34H16F4N6O2S4/c1-9-16-14(35)8-47-28(16)10(2)17-21(37)34(49-29(9)17)27-25-23(42-46-44-25)13(7-40-27)32-20(36)18-11(3)31-19(12(4)30(18)48-32)22(38)33(50-31)26-24-15(5-6-39-26)41-45-43-24/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C25H9F6N3O2S3/c1-6-4-35-21-10(6)13(28)22-11(14(21)29)7(2)20(36-22)25-16(31)15(30)24(38-25)19-18-17(33-39-34-18)8(3-32-19)23-12(27)9(26)5-37-23/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C25H9F6N3S5/c1-6-4-35-22-10(6)13(28)23-11(14(22)29)7(2)20(37-23)25-16(31)15(30)24(38-25)19-18-17(33-39-34-18)8(3-32-19)21-12(27)9(26)5-36-21/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C23H3F8N3S5/c24-5-2-36-19-7(5)10(27)20-8(11(19)28)12(29)22(37-20)23-14(31)13(30)21(38-23)17-16-15(33-39-34-16)4(1-32-17)18-9(26)6(25)3-35-18/h1-3H


key: InChI
value:
  InChI=1S/C25H11F6N5S3/c1-35-4-3-8-13(27)22-9(14(28)21(8)35)5-12(36(22)2)24-16(30)17(31)25(38-24)20-19-18(33-39-34-19)10(6-32-20)23-15(29)11(26)7-37-23/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C23H5F6N3S5/c24-9-5-34-20(13(9)27)8-4-30-18(17-16(8)31-37-32-17)23-15(29)14(28)22(36-23)10-3-7-12(26)19-6(1-2-33-19)11(25)21(7)35-10/h1-5H


key: InChI
value:
  InChI=1S/C25H9F6N3O4S3/c1-35-8-4-37-19-9(8)12(28)20-10(13(19)29)21(36-2)22(38-20)25-15(31)14(30)24(40-25)18-17-16(33-41-34-17)6(3-32-18)23-11(27)7(26)5-39-23/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C25H9F6N3O2S5/c1-35-8-5-38-21-9(8)12(28)22-10(13(21)29)19(36-2)25(39-22)24-15(31)14(30)23(40-24)18-17-16(33-41-34-17)6(3-32-18)20-11(27)7(26)4-37-20/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C27H15F6N5S5/c1-37-6-10(39-3)11-14(30)22-12(15(31)21(11)37)25(40-4)23(38(22)2)27-17(33)16(32)26(42-27)20-19-18(35-43-36-19)8(5-34-20)24-13(29)9(28)7-41-24/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H9F6N3O2S5/c1-37-8-4-35-19-9(8)12(28)20-10(13(19)29)23(38-2)21(36-20)25-15(31)14(30)24(40-25)18-17-16(33-41-34-17)6(3-32-18)22-11(27)7(26)5-39-22/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C27H17F4N5S5/c1-35-8-16(37-3)10-5-15-11(6-14(10)35)25(38-4)23(36(15)2)27-19(31)18(30)26(40-27)22-21-20(33-41-34-21)12(7-32-22)24-17(29)13(28)9-39-24/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C23H7F4N3O5/c24-9-7-32-22-13(9)15(25)23-14(17(22)27)16(26)21(34-23)12-4-3-11(33-12)19-20-18(29-35-30-20)8(6-28-19)10-2-1-5-31-10/h1-7H


key: InChI
value:
  InChI=1S/C25H9F6N3S7/c1-35-8-5-38-20-9(8)12(28)21-10(13(20)29)22(36-2)25(39-21)24-15(31)14(30)23(40-24)18-17-16(33-41-34-17)6(3-32-18)19-11(27)7(26)4-37-19/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C27H17F4N5S3/c1-10-8-35(3)16-6-13-11(2)24(36(4)17(13)5-12(10)16)27-20(31)19(30)26(38-27)23-22-21(33-39-34-22)14(7-32-23)25-18(29)15(28)9-37-25/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C23H5F6N3O2S3/c24-9-4-33-11-2-7-12(1-6(9)11)34-20(13(7)26)23-16(29)15(28)22(36-23)19-18-17(31-37-32-18)8(3-30-19)21-14(27)10(25)5-35-21/h1-5H


key: InChI
value:
  InChI=1S/C23H5F6N3S5/c24-9-4-33-11-2-7-12(1-6(9)11)35-22(13(7)26)23-16(29)15(28)21(36-23)19-18-17(31-37-32-18)8(3-30-19)20-14(27)10(25)5-34-20/h1-5H


key: InChI
value:
  InChI=1S/C25H13F4N5S3/c1-33-4-3-10-5-15-11(6-14(10)33)7-16(34(15)2)24-18(28)19(29)25(36-24)22-21-20(31-37-32-21)12(8-30-22)23-17(27)13(26)9-35-23/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C23H7F4N3S5/c24-11-7-32-21(15(11)25)10-6-28-20(19-18(10)29-35-30-19)23-17(27)16(26)22(34-23)14-5-9-4-12-8(1-2-31-12)3-13(9)33-14/h1-7H


key: InChI
value:
  InChI=1S/C25H11F4N3O2S3/c1-8-6-33-14-4-11-9(2)22(34-15(11)3-10(8)14)25-18(29)17(28)24(36-25)21-20-19(31-37-32-20)12(5-30-21)23-16(27)13(26)7-35-23/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C23H7F4N3O2S3/c24-11-7-33-21(15(11)25)10-6-28-20(19-18(10)29-35-30-19)23-17(27)16(26)22(34-23)14-5-9-4-12-8(1-2-31-12)3-13(9)32-14/h1-7H


key: InChI
value:
  InChI=1S/C23H7F4N3O3S2/c24-9-7-34-22-13(9)15(25)23-14(17(22)27)16(26)21(35-23)12-4-3-11(32-12)19-20-18(29-33-30-20)8(6-28-19)10-2-1-5-31-10/h1-7H


key: InChI
value:
  InChI=1S/C25H11F6N5S3/c1-35-6-11(26)8-3-14-9(4-13(8)35)15(28)22(36(14)2)25-18(31)17(30)24(38-25)21-20-19(33-39-34-20)10(5-32-21)23-16(29)12(27)7-37-23/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C25H11F4N3O4S3/c1-33-14-6-35-12-4-9-13(3-8(12)14)36-22(21(9)34-2)25-17(29)16(28)24(38-25)20-19-18(31-39-32-19)10(5-30-20)23-15(27)11(26)7-37-23/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C25H11F4N3O2S5/c1-33-12-7-35-13-4-9-14(3-8(12)13)37-25(21(9)34-2)24-17(29)16(28)23(38-24)20-19-18(31-39-32-19)10(5-30-20)22-15(27)11(26)6-36-22/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C25H11F4N3O2S5/c1-35-14-6-33-12-4-9-13(3-8(12)14)34-21(23(9)36-2)25-17(29)16(28)24(38-25)20-19-18(31-39-32-19)10(5-30-20)22-15(27)11(26)7-37-22/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C26H18F2N6S2/c1-32-9-4-5-16(32)15-12-29-23(24-22(15)30-34(3)31-24)18-7-6-17(33(18)2)19-11-14-21(28)25-13(8-10-35-25)20(27)26(14)36-19/h4-12H,1-3H3


key: InChI
value:
  InChI=1S/C25H11F4N3S7/c1-33-14-7-35-12-4-9-13(3-8(12)14)37-25(22(9)34-2)24-17(29)16(28)23(38-24)20-19-18(31-39-32-19)10(5-30-20)21-15(27)11(26)6-36-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C25H9F6N3O2S5/c1-35-18-9-7(26)4-38-21(9)19(36-2)10-12(29)24(39-22(10)18)25-14(31)13(30)23(40-25)17-16-15(33-41-34-16)6(3-32-17)20-11(28)8(27)5-37-20/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C25H11F4N3O4S3/c1-33-19-8-3-4-35-21(8)20(34-2)9-5-12(36-22(9)19)24-14(28)15(29)25(38-24)18-17-16(31-39-32-17)10(6-30-18)23-13(27)11(26)7-37-23/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C27H15F6N5O2S3/c1-37-6-9(28)11-20(37)24(40-4)12-14(31)22(38(2)21(12)23(11)39-3)27-16(33)15(32)26(42-27)19-18-17(35-43-36-18)8(5-34-19)25-13(30)10(29)7-41-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H11F4N3O2S5/c1-33-19-8-3-4-35-22(8)20(34-2)9-5-12(37-23(9)19)24-14(28)15(29)25(38-24)18-17-16(31-39-32-17)10(6-30-18)21-13(27)11(26)7-36-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C27H15F4N3O2S5/c1-8-6-37-24-12(8)20(35-3)25-13(21(24)36-4)9(2)22(39-25)27-16(31)15(30)26(40-27)19-18-17(33-41-34-18)10(5-32-19)23-14(29)11(28)7-38-23/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H9F6N3O4S3/c1-35-18-9-7(26)4-37-20(9)19(36-2)10-12(29)22(38-21(10)18)25-14(31)13(30)24(40-25)17-16-15(33-41-34-16)6(3-32-17)23-11(28)8(27)5-39-23/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C29H21F4N5O4S3/c1-37-8-12(39-3)13-21(37)25(41-5)14-22(24(13)40-4)38(2)23(26(14)42-6)29-17(33)16(32)28(44-29)20-19-18(35-45-36-19)10(7-34-20)27-15(31)11(30)9-43-27/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H15F4N3O6S3/c1-35-10-6-39-22-11(10)19(36-2)23-12(20(22)37-3)21(38-4)24(40-23)27-15(31)14(30)26(42-27)18-17-16(33-43-34-17)8(5-32-18)25-13(29)9(28)7-41-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H17F4N5O2S3/c1-35-6-5-10-21(35)24(38-4)11-7-14(36(2)22(11)23(10)37-3)26-16(30)17(31)27(40-26)20-19-18(33-41-34-19)12(8-32-20)25-15(29)13(28)9-39-25/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O4S5/c1-35-10-7-40-23-11(10)19(36-2)24-12(20(23)37-3)21(38-4)27(41-24)26-15(31)14(30)25(42-26)18-17-16(33-43-34-17)8(5-32-18)22-13(29)9(28)6-39-22/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C30H28F2N8O2/c1-36-12-8-9-16(36)15-13-33-25(26-24(15)34-40(5)35-26)17-10-11-18(38(17)3)27-30(42-7)21-23(32)28-20(19(41-6)14-37(28)2)22(31)29(21)39(27)4/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C28H22F2N6O4/c1-34-10-6-7-14(34)13-11-31-23(24-22(13)32-36(3)33-24)15-8-9-16(35(15)2)25-28(38-5)19-21(30)26-18(17(37-4)12-39-26)20(29)27(19)40-25/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C27H19N3O2S5/c1-12-11-34-26-18(12)23(31-3)27-19(24(26)32-4)13(2)25(36-27)17-8-7-16(35-17)21-22-20(29-37-30-22)14(10-28-21)15-6-5-9-33-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C28H24N6S2/c1-15-14-35-23-12-18-16(2)28(36-24(18)11-17(15)23)22-9-8-21(33(22)4)26-27-25(30-34(5)31-27)19(13-29-26)20-7-6-10-32(20)3/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C21H9F2N3O5/c22-11-5-7-28-20(11)21-12(23)8-16(30-21)14-3-4-15(29-14)18-19-17(25-31-26-19)10(9-24-18)13-2-1-6-27-13/h1-9H


key: InChI
value:
  InChI=1S/C28H22F2N6S4/c1-34-10-6-7-14(34)13-11-31-23(24-22(13)32-36(3)33-24)15-8-9-16(35(15)2)25-28(38-5)19-21(30)26-18(17(37-4)12-39-26)20(29)27(19)40-25/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C26H18F2N6O2/c1-32-8-4-5-17(32)15-11-29-24(25-23(15)30-34(3)31-25)18-6-7-19(33(18)2)26-22(28)14-10-20-13(9-21(14)36-26)16(27)12-35-20/h4-12H,1-3H3


key: InChI
value:
  InChI=1S/C30H30N8/c1-17-16-35(4)25-14-20-18(2)30(37(6)26(20)13-19(17)25)24-11-10-23(36(24)5)28-29-27(32-38(7)33-29)21(15-31-28)22-9-8-12-34(22)3/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C28H24N6O2/c1-15-14-35-23-12-18-16(2)28(36-24(18)11-17(15)23)22-9-8-21(33(22)4)26-27-25(30-34(5)31-27)19(13-29-26)20-7-6-10-32(20)3/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C28H22F2N6O2S2/c1-34-10-6-7-14(34)13-11-31-23(24-22(13)32-36(3)33-24)15-8-9-16(35(15)2)25-28(40-5)19-21(30)26-18(17(39-4)12-37-26)20(29)27(19)38-25/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C26H18F2N6S2/c1-32-8-4-5-17(32)15-11-29-24(25-23(15)30-34(3)31-25)18-6-7-19(33(18)2)26-22(28)14-10-20-13(9-21(14)36-26)16(27)12-35-20/h4-12H,1-3H3


key: InChI
value:
  InChI=1S/C21H9F2N3O3S2/c22-11-5-7-30-20(11)21-12(23)8-16(31-21)14-3-4-15(28-14)18-19-17(25-29-26-19)10(9-24-18)13-2-1-6-27-13/h1-9H


key: InChI
value:
  InChI=1S/C23H9F2N3O5/c24-17-10-5-7-30-22(10)18(25)11-8-16(32-23(11)17)14-3-4-15(31-14)20-21-19(27-33-28-21)12(9-26-20)13-2-1-6-29-13/h1-9H


key: InChI
value:
  InChI=1S/C26H26N8/c1-30-14-6-8-18(30)17-16-27-25(26-24(17)28-34(5)29-26)23-13-12-22(33(23)4)21-11-10-20(32(21)3)19-9-7-15-31(19)2/h6-16H,1-5H3


key: InChI
value:
  InChI=1S/C28H30N8S2/c1-32-13-8-9-18(32)17-16-29-25(26-24(17)30-36(5)31-26)20-11-10-19(34(20)3)21-15-23(38-7)28(35(21)4)27-22(37-6)12-14-33(27)2/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C27H19N3S5/c1-12-11-32-25(13(12)2)18-10-28-24(23-22(18)29-35-30-23)27-15(4)14(3)26(34-27)21-9-17-8-19-16(5-6-31-19)7-20(17)33-21/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C29H23N3O4S3/c1-12-11-37-27(13(12)2)18-9-30-24(23-22(18)31-39-32-23)28-14(3)15(4)29(38-28)26-25(34-6)17-8-19-16(7-20(17)36-26)21(33-5)10-35-19/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5S5/c1-14-13-39-28(15(14)2)20-11-32-26(25-24(20)33-41-34-25)29-16(3)17(4)30(40-29)27-31(38-8)19-10-21-18(9-22(19)36(27)6)23(37-7)12-35(21)5/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C31H29N5O2S3/c1-14-13-39-29(15(14)2)20-11-32-26(25-24(20)33-41-34-25)30-16(3)17(4)31(40-30)27-28(38-8)19-10-21-18(9-22(19)36(27)6)23(37-7)12-35(21)5/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O2S3/c1-14-12-37(7)27-21(14)29(39-9)28-22(30(27)40-10)19(6)26(38(28)8)33-18(5)17(4)32(42-33)25-24-23(35-43-36-24)20(11-34-25)31-16(3)15(2)13-41-31/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27F2N5O2S3/c1-12-11-41-29(13(12)2)16-9-34-23(22-21(16)35-43-36-22)30-14(3)15(4)31(42-30)26-20(33)19-25(38(26)6)27(39-7)18-17(32)10-37(5)24(18)28(19)40-8/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3S7/c1-12-10-36-25(13(12)2)18-9-30-24(23-22(18)31-39-32-23)26-14(3)15(4)27(38-26)29-28(34-6)17-8-19-16(7-20(17)37-29)21(33-5)11-35-19/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O2S5/c1-12-11-37-26(13(12)2)18-9-30-24(23-22(18)31-39-32-23)27-14(3)15(4)28(38-27)25-29(36-6)17-8-19-16(7-20(17)34-25)21(35-5)10-33-19/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O2S5/c1-12-10-37-26(14(12)3)18-9-32-23(22-21(18)33-41-34-22)27-15(4)16(5)28(39-27)29-17(6)20-25(36-8)30-19(13(2)11-38-30)24(35-7)31(20)40-29/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O4S3/c1-12-10-37-27-19(12)25(35-7)28-20(26(27)36-8)17(6)24(38-28)31-16(5)15(4)30(40-31)23-22-21(33-41-34-22)18(9-32-23)29-14(3)13(2)11-39-29/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O4S3/c1-10-9-39-27(11(10)2)14-7-32-21(20-19(14)33-41-34-20)28-12(3)13(4)29(40-28)26-18(31)17-23(36-6)24-16(15(30)8-37-24)22(35-5)25(17)38-26/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3O2S5/c1-10-8-37-24(11(10)2)14-7-32-21(20-19(14)33-41-34-20)25-12(3)13(4)26(39-25)29-18(31)17-23(36-6)27-16(15(30)9-38-27)22(35-5)28(17)40-29/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O2S5/c1-12-10-36-26(13(12)2)18-9-30-24(23-22(18)31-39-32-23)27-14(3)15(4)28(38-27)29-25(34-6)17-8-20-16(7-21(17)37-29)19(33-5)11-35-20/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O2S3/c1-14-13-39-29(15(14)2)20-12-32-24(23-22(20)33-41-34-23)31-17(4)16(3)30(40-31)21-11-19-26(36(21)6)27(37-7)18-9-10-35(5)25(18)28(19)38-8/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O2S5/c1-12-11-36-25(13(12)2)18-10-30-22(21-20(18)31-39-32-21)27-15(4)14(3)26(38-27)19-9-17-24(34-6)28-16(7-8-35-28)23(33-5)29(17)37-19/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O4S3/c1-12-11-37-27(13(12)2)18-10-30-22(21-20(18)31-39-32-21)29-15(4)14(3)28(38-29)19-9-17-24(34-6)25-16(7-8-35-25)23(33-5)26(17)36-19/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C26H24N6O2S2/c1-30-11-6-7-16(30)15-14-27-23(24-22(15)28-32(3)29-24)18-9-8-17(31(18)2)21-13-20(34-5)26(36-21)25-19(33-4)10-12-35-25/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C26H20N6O2/c1-30-9-4-5-18(30)17-14-27-25(26-24(17)28-32(3)29-26)20-7-6-19(31(20)2)23-13-16-12-21-15(8-10-33-21)11-22(16)34-23/h4-14H,1-3H3


key: InChI
value:
  InChI=1S/C31H27N3O6S3/c1-12-11-41-29(13(12)2)16-9-32-22(21-20(16)33-43-34-21)30-14(3)15(4)31(42-30)28-25(38-8)19-24(37-7)26-18(17(35-5)10-39-26)23(36-6)27(19)40-28/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O2S5/c1-14-13-43-30(15(14)2)18-11-34-24(23-22(18)35-45-36-23)31-16(3)17(4)32(44-31)27-33(42-10)21-26(38(27)6)28(39-7)20-19(41-9)12-37(5)25(20)29(21)40-8/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27F2N5S5/c1-12-11-41-27(13(12)2)16-9-34-23(22-21(16)35-43-36-22)28-14(3)15(4)29(42-28)26-20(33)19-25(38(26)6)30(39-7)18-17(32)10-37(5)24(18)31(19)40-8/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H29N5S5/c1-14-13-39-27(15(14)2)20-12-32-24(23-22(20)33-41-34-23)29-17(4)16(3)28(40-29)21-11-19-26(36(21)6)30(37-7)18-9-10-35(5)25(18)31(19)38-8/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O2S5/c1-14-13-43-29(15(14)2)18-11-34-24(23-22(18)35-45-36-23)30-16(3)17(4)31(44-30)27-28(40-8)21-26(38(27)6)32(41-9)20-19(39-7)12-37(5)25(20)33(21)42-10/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O2S7/c1-12-10-39-24(13(12)2)16-9-32-22(21-20(16)33-43-34-21)25-14(3)15(4)26(41-25)31-23(36-6)19-28(38-8)29-18(17(35-5)11-40-29)27(37-7)30(19)42-31/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5S7/c1-14-13-43-28(15(14)2)18-11-34-24(23-22(18)35-45-36-23)29-16(3)17(4)30(44-29)27-33(42-10)21-26(38(27)6)31(40-8)20-19(39-7)12-37(5)25(20)32(21)41-9/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C28H26F4N8S2/c1-36-9-8-16(41-6)26(36)27-17(42-7)10-15(38(27)3)25-19(31)20(32)28(39(25)4)23-22-21(34-40(5)35-22)13(11-33-23)24-18(30)14(29)12-37(24)2/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C30H24F6N8/c1-11-16-14(31)9-40(3)25(16)12(2)17-19(34)29(42(5)26(11)17)30-21(36)20(35)28(43(30)6)24-23-22(38-44(7)39-23)13(8-37-24)27-18(33)15(32)10-41(27)4/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C30H26F4N8/c1-13-15-8-9-38(3)26(15)14(2)16-10-19(40(5)27(13)16)29-21(33)22(34)30(41(29)6)25-24-23(36-42(7)37-24)17(11-35-25)28-20(32)18(31)12-39(28)4/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C32H30F4N8O2/c1-13-18-17(45-8)12-41(4)26(18)14(2)19-27(13)42(5)31(32(19)46-9)30-22(36)21(35)29(43(30)6)25-24-23(38-44(7)39-24)15(10-37-25)28-20(34)16(33)11-40(28)3/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C28H20F4N6S2/c1-11-10-39-17-7-14-12(2)28(40-18(14)6-13(11)17)27-21(32)20(31)26(37(27)4)24-23-22(34-38(5)35-23)15(8-33-24)25-19(30)16(29)9-36(25)3/h6-10H,1-5H3


key: InChI
value:
  InChI=1S/C28H20F6N8/c1-38-9-14(29)11-6-17-12(7-16(11)38)18(31)27(40(17)3)28-21(34)20(33)26(41(28)4)24-23-22(36-42(5)37-23)13(8-35-24)25-19(32)15(30)10-39(25)2/h6-10H,1-5H3


key: InChI
value:
  InChI=1S/C30H26F4N8S2/c1-38-12-19(43-6)13-8-18-14(9-17(13)38)30(44-7)29(40(18)3)28-22(34)21(33)27(41(28)4)25-24-23(36-42(5)37-24)15(10-35-25)26-20(32)16(31)11-39(26)2/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C34H20N6O2S4/c1-13-17-6-8-43-31(17)14(2)19-10-25(46-32(13)19)29-30-26(38-42-40-30)21(12-36-29)23-9-18-15(3)34-20(16(4)33(18)44-23)11-24(45-34)28-27-22(5-7-35-28)37-41-39-27/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C30H26F4N8O2/c1-38-9-8-13-25(38)30(44-7)14-10-17(40(3)26(14)29(13)43-6)27-19(33)20(34)28(41(27)4)23-22-21(36-42(5)37-22)15(11-35-23)24-18(32)16(31)12-39(24)2/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C28H20F4N6O2S2/c1-36-10-14(29)16(30)22(36)13-9-33-21(20-19(13)34-38(3)35-20)24-18(32)17(31)23(37(24)2)15-8-12-26(40-5)27-11(6-7-41-27)25(39-4)28(12)42-15/h6-10H,1-5H3


key: InChI
value:
  InChI=1S/C25H13F2N3O5S2/c1-36-24-15-11(26)9-32-22(15)25(37-2)16-17(27)21(34-23(16)24)14-6-5-13(33-14)19-20-18(29-35-30-20)10(8-28-19)12-4-3-7-31-12/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C30H24F4N6O4S2/c1-38-9-12(31)16(32)22(38)11-8-35-21(20-19(11)36-40(3)37-20)23-17(33)18(34)24(39(23)2)30-27(44-7)15-26(43-6)28-14(13(41-4)10-45-28)25(42-5)29(15)46-30/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C30H24F4N6O4S2/c1-38-9-12(31)16(32)22(38)11-8-35-21(20-19(11)36-40(3)37-20)23-17(33)18(34)24(39(23)2)29-30(46-7)15-26(42-5)27-14(13(45-6)10-43-27)25(41-4)28(15)44-29/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C32H30F4N8S2/c1-13-11-40(3)27-17(13)31(45-8)28-18(32(27)46-9)14(2)25(42(28)5)30-21(36)20(35)29(43(30)6)24-23-22(38-44(7)39-23)15(10-37-24)26-19(34)16(33)12-41(26)4/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C30H24F6N8S2/c1-40-10-13(32)16(33)23(40)11-8-37-22(21-20(11)38-44(5)39-21)26-18(35)19(36)28(43(26)4)27-17(34)15-25(42(27)3)29(45-6)14-12(31)9-41(2)24(14)30(15)46-7/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C30H26F4N8S2/c1-38-9-8-13-25(38)30(44-7)14-10-17(40(3)26(14)29(13)43-6)27-19(33)20(34)28(41(27)4)23-22-21(36-42(5)37-22)15(11-35-23)24-18(32)16(31)12-39(24)2/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C30H24F4N6O4S2/c1-38-9-12(31)16(32)22(38)11-8-35-21(20-19(11)36-40(3)37-20)23-17(33)18(34)24(39(23)2)28-25(42-5)15-27(44-28)29(45-6)14-13(41-4)10-43-26(14)30(15)46-7/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C30H24F4N6O2S4/c1-38-9-12(31)16(32)22(38)11-8-35-21(20-19(11)36-40(3)37-20)23-17(33)18(34)24(39(23)2)30-25(42-5)15-27(44-7)28-14(13(41-4)10-45-28)26(43-6)29(15)46-30/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C29H21F4N5O3/c1-10-8-37(5)24-12(3)17-13(4)26(38(6)25(17)11(2)16(10)24)29-20(33)19(32)28(40-29)23-22-21(35-41-36-22)14(7-34-23)27-18(31)15(30)9-39-27/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C25H9F6N3O5/c1-6-11-9(26)4-35-20(11)7(2)12-14(29)24(37-21(6)12)25-16(31)15(30)23(38-25)19-18-17(33-39-34-18)8(3-32-19)22-13(28)10(27)5-36-22/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C29H21F4N5O3S2/c1-10-15-14(42-5)8-37(3)23(15)11(2)16-24(10)38(4)25(29(16)43-6)28-19(33)18(32)27(40-28)22-21-20(35-41-36-21)12(7-34-22)26-17(31)13(30)9-39-26/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C23H7F4N3O3S2/c24-11-7-31-21(15(11)25)10-6-28-20(19-18(10)29-33-30-19)23-17(27)16(26)22(32-23)14-5-9-4-12-8(1-2-34-12)3-13(9)35-14/h1-7H


key: InChI
value:
  InChI=1S/C25H11F4N3O5S2/c1-38-14-7-33-12-4-9-13(3-8(12)14)35-24(25(9)39-2)23-17(29)16(28)22(36-23)20-19-18(31-37-32-19)10(5-30-20)21-15(27)11(26)6-34-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C29H21F4N5O5/c1-10-8-37(3)23-14(10)26(39-5)24-15(27(23)40-6)11(2)22(38(24)4)29-18(33)17(32)28(42-29)21-20-19(35-43-36-20)12(7-34-21)25-16(31)13(30)9-41-25/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C25H21N5S3/c1-14-9-10-29(3)24(14)25-15(2)12-17(30(25)4)19-7-8-20(32-19)22-23-21(27-33-28-23)16(13-26-22)18-6-5-11-31-18/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O5S2/c1-8-7-40-26-12(8)21(35-3)27-13(22(26)36-4)9(2)25(41-27)24-16(31)15(30)23(38-24)19-18-17(33-39-34-18)10(5-32-19)20-14(29)11(28)6-37-20/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H11F4N3O7/c1-33-20-8-3-4-35-22(8)21(34-2)9-5-12(37-23(9)20)24-14(28)15(29)25(38-24)18-17-16(31-39-32-17)10(6-30-18)19-13(27)11(26)7-36-19/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C27H15F4N3O7S2/c1-35-20-11-10(42-3)7-38-22(11)21(36-2)12-23(20)39-26(27(12)43-4)25-15(31)14(30)24(40-25)18-17-16(33-41-34-17)8(5-32-18)19-13(29)9(28)6-37-19/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F6N5O3S2/c1-37-6-9(28)11-20(37)27(43-4)12-14(31)22(38(2)21(12)26(11)42-3)25-16(33)15(32)24(40-25)19-18-17(35-41-36-18)8(5-34-19)23-13(30)10(29)7-39-23/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F4N5O5S2/c1-37-8-12(39-3)13-21(37)29(45-6)14-22(28(13)44-5)38(2)23(25(14)40-4)27-17(33)16(32)26(42-27)20-19-18(35-43-36-19)10(7-34-20)24-15(31)11(30)9-41-24/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C28H24F2N8/c1-34-11-6-7-18(34)17-14-31-25(26-24(17)32-38(5)33-26)20-9-8-19(36(20)3)21-13-16-23(30)27-15(10-12-35(27)2)22(29)28(16)37(21)4/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C27H15F4N3O5S4/c1-35-10-7-42-25-11(10)23(40-3)26-12(24(25)41-4)20(36-2)27(43-26)22-15(31)14(30)21(38-22)18-17-16(33-39-34-17)8(5-32-18)19-13(29)9(28)6-37-19/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O3S6/c1-38-10-7-42-25-11(10)22(39-2)26-12(23(25)40-3)24(41-4)27(43-26)21-15(31)14(30)20(36-21)18-17-16(33-37-34-17)8(5-32-18)19-13(29)9(28)6-35-19/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H17F4N5S5/c1-33-6-5-13(35-3)21(33)22-14(36-4)7-12(34(22)2)24-16(28)17(29)25(38-24)20-19-18(31-39-32-19)10(8-30-20)23-15(27)11(26)9-37-23/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F4N5S3/c1-10-8-37(5)24-12(3)17-13(4)26(38(6)25(17)11(2)16(10)24)29-20(33)19(32)28(40-29)23-22-21(35-41-36-22)14(7-34-23)27-18(31)15(30)9-39-27/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H15F6N5S3/c1-8-13-11(28)6-37(3)22(13)9(2)14-16(31)24(38(4)23(8)14)27-18(33)17(32)26(40-27)21-20-19(35-41-36-20)10(5-34-21)25-15(30)12(29)7-39-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H9F6N3O2S3/c1-6-11-9(26)4-35-20(11)7(2)12-14(29)22(36-21(6)12)25-16(31)15(30)24(38-25)19-18-17(33-39-34-18)8(3-32-19)23-13(28)10(27)5-37-23/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C28H22F2N6O2S2/c1-34-10-6-7-14(34)13-11-31-23(24-22(13)32-36(3)33-24)15-8-9-16(35(15)2)26-25(38-5)19-21(30)27-18(17(37-4)12-39-27)20(29)28(19)40-26/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C27H15F6N5S3/c1-8-6-37(3)23-12(8)15(30)24-13(16(23)31)9(2)22(38(24)4)27-18(33)17(32)26(40-27)21-20-19(35-41-36-20)10(5-34-21)25-14(29)11(28)7-39-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C26H20N6S2/c1-30-9-4-5-18(30)17-14-27-25(26-24(17)28-32(3)29-26)20-7-6-19(31(20)2)23-13-16-12-21-15(8-10-33-21)11-22(16)34-23/h4-14H,1-3H3


key: InChI
value:
  InChI=1S/C25H11F4N3S5/c1-8-6-33-14-4-11-9(2)22(35-15(11)3-10(8)14)25-18(29)17(28)24(36-25)21-20-19(31-37-32-20)12(5-30-21)23-16(27)13(26)7-34-23/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C28H24N6O2S2/c1-32-10-6-7-18(32)17-13-29-25(26-24(17)30-34(3)31-26)19-8-9-20(33(19)2)28-27(36-5)16-12-22-15(11-23(16)38-28)21(35-4)14-37-22/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C27H17F4N5O2S3/c1-35-8-16(37-3)10-5-15-11(6-14(10)35)24(38-4)23(36(15)2)27-19(31)18(30)26(40-27)22-21-20(33-41-34-21)12(7-32-22)25-17(29)13(28)9-39-25/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F4N5O2S3/c1-10-8-37(3)23-14(10)25(39-5)24-15(26(23)40-6)11(2)22(38(24)4)29-18(33)17(32)28(42-29)21-20-19(35-43-36-20)12(7-34-21)27-16(31)13(30)9-41-27/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H15F4N3O4S3/c1-8-6-37-23-12(8)21(35-3)24-13(22(23)36-4)9(2)20(38-24)27-16(31)15(30)26(40-27)19-18-17(33-41-34-18)10(5-32-19)25-14(29)11(28)7-39-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C23H15N3O5/c1-12-7-9-28-22(12)23-13(2)10-18(30-23)16-5-6-17(29-16)20-21-19(25-31-26-21)14(11-24-20)15-4-3-8-27-15/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C29H21F4N5O2S5/c1-37-8-12(41-5)13-21(37)25(40-4)14-22(24(13)39-3)38(2)23(27(14)42-6)29-17(33)16(32)28(44-29)20-19-18(35-45-36-19)10(7-34-20)26-15(31)11(30)9-43-26/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C30H30N8O2/c1-34-12-8-9-20(34)19-15-31-27(28-26(19)32-38(5)33-28)21-10-11-22(36(21)3)29-30(40-7)18-14-23-17(13-24(18)37(29)4)25(39-6)16-35(23)2/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C21H11N3O5/c1-3-13(25-9-1)12-11-22-20(21-19(12)23-29-24-21)18-8-7-17(28-18)16-6-5-15(27-16)14-4-2-10-26-14/h1-11H


key: InChI
value:
  InChI=1S/C28H26N8/c1-32-11-6-7-20(32)19-16-29-27(28-26(19)30-36(5)31-28)22-9-8-21(34(22)3)25-15-18-14-23-17(10-12-33(23)2)13-24(18)35(25)4/h6-16H,1-5H3


key: InChI
value:
  InChI=1S/C25H13F2N3O2S5/c1-31-21-15-11(26)9-34-24(15)22(32-2)16-17(27)23(36-25(16)21)14-6-5-13(35-14)19-20-18(29-37-30-20)10(8-28-19)12-4-3-7-33-12/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C30H30N8S2/c1-34-12-8-9-20(34)19-15-31-27(28-26(19)32-38(5)33-28)21-10-11-22(36(21)3)29-30(40-7)18-14-23-17(13-24(18)37(29)4)25(39-6)16-35(23)2/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C28H24N6O2S2/c1-32-10-6-7-18(32)17-13-29-25(26-24(17)30-34(3)31-26)19-8-9-20(33(19)2)27-28(38-5)16-12-21-15(11-22(16)36-27)23(37-4)14-35-21/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C28H22F2N6O2S2/c1-34-10-6-7-15(34)13-11-31-22(23-21(13)32-36(3)33-23)16-8-9-17(35(16)2)26-20(30)19-25(38-5)27-18(14(29)12-39-27)24(37-4)28(19)40-26/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C28H24N6O2S2/c1-32-11-6-7-18(32)17-14-29-23(24-22(17)30-34(3)31-24)20-9-8-19(33(20)2)21-13-16-26(36-5)27-15(10-12-37-27)25(35-4)28(16)38-21/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C30H28N6O4S2/c1-34-12-8-9-16(34)15-13-31-23(24-22(15)32-36(3)33-24)17-10-11-18(35(17)2)28-26(39-6)21-27(40-7)29-20(19(37-4)14-41-29)25(38-5)30(21)42-28/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C27H19N3O3S6/c1-34-16-11-38-26-17(16)23(35-2)27-18(25(26)37-4)24(36-3)22(39-27)15-8-7-14(32-15)20-21-19(29-33-30-21)12(10-28-20)13-6-5-9-31-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C32H34N8O2/c1-17-16-37(4)29-23(17)31(41-8)30-24(32(29)42-9)18(2)28(39(30)6)22-13-12-21(38(22)5)26-27-25(34-40(7)35-27)19(15-33-26)20-11-10-14-36(20)3/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C30H28F2N8O2/c1-36-12-8-9-17(36)15-13-33-24(25-23(15)34-40(5)35-25)18-10-11-19(38(18)3)26-22(32)21-28(39(26)4)29(41-6)20-16(31)14-37(2)27(20)30(21)42-7/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C28H22F2N6O4/c1-34-10-6-7-15(34)13-11-31-22(23-21(13)32-36(3)33-23)16-8-9-17(35(16)2)24-20(30)19-26(38-5)27-18(14(29)12-39-27)25(37-4)28(19)40-24/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C28H24N6O4/c1-32-11-6-7-18(32)17-14-29-23(24-22(17)30-34(3)31-24)20-9-8-19(33(20)2)21-13-16-26(36-5)27-15(10-12-37-27)25(35-4)28(16)38-21/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C32H34N8O4/c1-36-14-10-11-18(36)17-15-33-25(26-24(17)34-40(5)35-26)19-12-13-20(38(19)3)27-31(43-8)23-29(39(27)4)30(42-7)22-21(41-6)16-37(2)28(22)32(23)44-9/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C32H34N8O2S2/c1-36-14-10-11-18(36)17-15-33-25(26-24(17)34-40(5)35-26)19-12-13-20(38(19)3)27-32(44-9)23-29(39(27)4)30(41-6)22-21(43-8)16-37(2)28(22)31(23)42-7/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C27H19N3O5S4/c1-36-16-11-32-23-17(16)25(37-2)24-18(27(23)39-4)26(38-3)22(34-24)15-8-7-14(33-15)20-21-19(29-35-30-21)12(10-28-20)13-6-5-9-31-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C28H22F2N6O2S2/c1-34-10-6-7-15(34)13-11-31-22(23-21(13)32-36(3)33-23)16-8-9-17(35(16)2)24-20(30)19-26(38-24)27(39-4)18-14(29)12-37-25(18)28(19)40-5/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C28H24N6S4/c1-32-11-6-7-18(32)17-14-29-23(24-22(17)30-34(3)31-24)20-9-8-19(33(20)2)21-13-16-26(36-5)27-15(10-12-37-27)25(35-4)28(16)38-21/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C30H28N6O6/c1-34-12-8-9-16(34)15-13-31-23(24-22(15)32-36(3)33-24)17-10-11-18(35(17)2)25-27(39-6)21-28(40-7)29-20(19(37-4)14-41-29)26(38-5)30(21)42-25/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C32H34N8S2/c1-17-16-37(4)29-23(17)31(41-8)30-24(32(29)42-9)18(2)28(39(30)6)22-13-12-21(38(22)5)26-27-25(34-40(7)35-27)19(15-33-26)20-11-10-14-36(20)3/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C27H19N3O3S4/c1-12-19-18(34-3)11-36-24(19)13(2)20-25(12)37-26(27(20)35-4)17-8-7-16(32-17)22-23-21(29-33-30-23)14(10-28-22)15-6-5-9-31-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C30H28N6S4/c1-15-14-39-29-21(15)27(37-6)30-22(28(29)38-7)16(2)26(40-30)20-11-10-19(35(20)4)24-25-23(32-36(5)33-25)17(13-31-24)18-9-8-12-34(18)3/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C28H24N6O2S2/c1-32-11-6-7-18(32)17-14-29-23(24-22(17)30-34(3)31-24)20-9-8-19(33(20)2)21-13-16-26(36-21)27(37-4)15-10-12-35-25(15)28(16)38-5/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C25H13F2N3O5/c1-10-9-32-24-16(10)18(26)25-17(19(24)27)11(2)23(34-25)15-6-5-14(33-15)21-22-20(29-35-30-22)12(8-28-21)13-4-3-7-31-13/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C30H30N8S2/c1-34-13-8-9-20(34)19-16-31-25(26-24(19)32-38(5)33-26)22-11-10-21(36(22)3)23-15-18-28(37(23)4)29(39-6)17-12-14-35(2)27(17)30(18)40-7/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C23H15N3O7/c1-27-16-7-9-30-22(16)23-18(28-2)10-17(32-23)14-5-6-15(31-14)20-21-19(25-33-26-21)12(11-24-20)13-4-3-8-29-13/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H13F2N3O5/c1-10-17-13(26)9-32-23(17)11(2)18-19(27)25(34-24(10)18)16-6-5-15(33-16)21-22-20(29-35-30-22)12(8-28-21)14-4-3-7-31-14/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C30H28F2N8S2/c1-36-12-8-9-17(36)15-13-33-24(25-23(15)34-40(5)35-25)18-10-11-19(38(18)3)26-22(32)21-28(39(26)4)29(41-6)20-16(31)14-37(2)27(20)30(21)42-7/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C30H28N6S6/c1-34-12-8-9-16(34)15-13-31-23(24-22(15)32-36(3)33-24)17-10-11-18(35(17)2)25-27(39-6)21-28(40-7)29-20(19(37-4)14-41-29)26(38-5)30(21)42-25/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C23H15N3O5S2/c1-32-17-7-9-28-22(17)23-18(33-2)10-16(30-23)14-5-6-15(29-14)20-21-19(25-31-26-21)12(11-24-20)13-4-3-8-27-13/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H13F2N3O3S2/c1-10-17-13(26)9-34-23(17)11(2)18-19(27)25(35-24(10)18)16-6-5-15(32-16)21-22-20(29-33-30-22)12(8-28-21)14-4-3-7-31-14/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C32H34N8S4/c1-36-14-10-11-18(36)17-15-33-25(26-24(17)34-40(5)35-26)19-12-13-20(38(19)3)27-31(43-8)23-29(39(27)4)30(42-7)22-21(41-6)16-37(2)28(22)32(23)44-9/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C27H21N5O3/c1-14-13-31(3)19-11-17-15(2)27(32(4)20(17)10-16(14)19)23-8-7-22(34-23)25-26-24(29-35-30-26)18(12-28-25)21-6-5-9-33-21/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C23H15F2N5S3/c1-29-8-7-13(24)22(29)23-14(25)10-15(30(23)2)17-5-6-18(32-17)20-21-19(27-33-28-21)12(11-26-20)16-4-3-9-31-16/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C30H28N6O2S4/c1-34-12-8-9-16(34)15-13-31-23(24-22(15)32-36(3)33-24)17-10-11-18(35(17)2)25-29(41-6)21-27(38-25)28(40-5)20-19(39-4)14-37-26(20)30(21)42-7/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C25H21N5O3/c1-14-9-10-29(3)24(14)25-15(2)12-17(30(25)4)19-7-8-20(32-19)22-23-21(27-33-28-23)16(13-26-22)18-6-5-11-31-18/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C23H15N3O3S2/c1-12-7-9-30-22(12)23-13(2)10-18(31-23)16-5-6-17(28-16)20-21-19(25-29-26-21)14(11-24-20)15-4-3-8-27-15/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C23H15F2N5O3/c1-29-8-7-13(24)22(29)23-14(25)10-15(30(23)2)17-5-6-18(32-17)20-21-19(27-33-28-21)12(11-26-20)16-4-3-9-31-16/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C21H11N3O3S2/c1-3-13(25-9-1)12-11-22-20(21-19(12)23-27-24-21)15-6-5-14(26-15)16-7-8-18(29-16)17-4-2-10-28-17/h1-11H


key: InChI
value:
  InChI=1S/C23H15N3O3S4/c1-30-16-7-9-32-22(16)23-18(31-2)10-17(33-23)14-5-6-15(28-14)20-21-19(25-29-26-21)12(11-24-20)13-4-3-8-27-13/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C30H4F8N6O6/c31-6-4-45-25-8(6)12(32)26-10(14(25)34)17(37)30(47-26)23-21-19(42-50-44-21)5(3-40-23)24-13(33)9-15(35)28-11(16(36)27(9)46-24)18(38)29(48-28)22-20-7(1-2-39-22)41-49-43-20/h1-4H


key: InChI
value:
  InChI=1S/C23H17N5O3/c1-27-11-3-5-15(27)16-7-8-17(28(16)2)19-9-10-20(30-19)22-23-21(25-31-26-23)14(13-24-22)18-6-4-12-29-18/h3-13H,1-2H3


key: InChI
value:
  InChI=1S/C21H9F2N3O2S3/c22-11-5-6-27-20(11)21-12(23)8-13(28-21)15-3-4-16(30-15)18-19-17(25-31-26-19)10(9-24-18)14-2-1-7-29-14/h1-9H


key: InChI
value:
  InChI=1S/C25H21N5O5/c1-29-10-9-19(31-3)24(29)25-20(32-4)12-15(30(25)2)17-7-8-18(34-17)22-23-21(27-35-28-23)14(13-26-22)16-6-5-11-33-16/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C25H21N5O3S2/c1-29-10-9-19(34-3)24(29)25-20(35-4)12-15(30(25)2)17-7-8-18(32-17)22-23-21(27-33-28-23)14(13-26-22)16-6-5-11-31-16/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C29H25N5O3/c1-14-13-33(5)28-17(4)23-16(3)27(34(6)29(23)15(2)22(14)28)21-10-9-20(36-21)25-26-24(31-37-32-26)18(12-30-25)19-8-7-11-35-19/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C23H15N3O5S2/c1-27-16-7-9-32-22(16)23-17(28-2)10-18(33-23)14-5-6-15(30-14)20-21-19(25-31-26-21)12(11-24-20)13-4-3-8-29-13/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C27H19N3O5/c1-12-11-32-26-15(4)21-14(3)25(34-27(21)13(2)20(12)26)19-8-7-18(33-19)23-24-22(29-35-30-24)16(10-28-23)17-6-5-9-31-17/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C29H25N5O5/c1-14-21-20(35-5)13-33(3)26(21)15(2)22-27(14)34(4)28(29(22)36-6)19-10-9-18(38-19)24-25-23(31-39-32-25)16(12-30-24)17-8-7-11-37-17/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C23H15N3S5/c1-12-7-9-28-22(12)23-13(2)10-18(30-23)16-5-6-17(29-16)20-21-19(25-31-26-21)14(11-24-20)15-4-3-8-27-15/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C27H19N3O3S2/c1-12-11-34-26-15(4)21-14(3)25(35-27(21)13(2)20(12)26)19-8-7-18(32-19)23-24-22(29-33-30-24)16(10-28-23)17-6-5-9-31-17/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19F2N5O3/c1-12-19-15(28)11-33(3)25(19)13(2)20-21(29)27(34(4)26(12)20)18-8-7-17(36-18)23-24-22(31-37-32-24)14(10-30-23)16-6-5-9-35-16/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H21N5O3/c1-14-16-9-10-31(3)26(16)15(2)17-12-19(32(4)27(14)17)21-7-8-22(34-21)24-25-23(29-35-30-25)18(13-28-24)20-6-5-11-33-20/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C25H15N3O5/c1-12-14-7-9-30-24(14)13(2)15-10-20(32-25(12)15)18-5-6-19(31-18)22-23-21(27-33-28-23)16(11-26-22)17-4-3-8-29-17/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H15N3O3S2/c1-12-14-7-9-32-24(14)13(2)15-10-20(33-25(12)15)18-5-6-19(30-18)22-23-21(27-31-28-23)16(11-26-22)17-4-3-8-29-17/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C27H19N3O7/c1-12-19-18(31-3)11-34-24(19)13(2)20-25(12)36-26(27(20)32-4)17-8-7-16(35-17)22-23-21(29-37-30-23)14(10-28-22)15-6-5-9-33-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O5S2/c1-12-19-18(31-3)11-36-25(19)13(2)20-24(32-4)27(37-26(12)20)17-8-7-16(34-17)22-23-21(29-35-30-23)14(10-28-22)15-6-5-9-33-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C29H25N5O3S2/c1-14-21-20(38-5)13-33(3)26(21)15(2)22-27(14)34(4)28(29(22)39-6)19-10-9-18(36-19)24-25-23(31-37-32-25)16(12-30-24)17-8-7-11-35-17/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C27H19N3O5S2/c1-12-19-18(36-3)11-32-24(19)13(2)20-25(12)34-26(27(20)37-4)17-8-7-16(33-17)22-23-21(29-35-30-23)14(10-28-22)15-6-5-9-31-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19F2N5O3/c1-12-11-33(3)26-18(12)20(28)27-19(21(26)29)13(2)25(34(27)4)17-8-7-16(36-17)23-24-22(31-37-32-24)14(10-30-23)15-6-5-9-35-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C23H15N3O2S3/c1-12-7-8-27-22(12)23-13(2)10-15(28-23)17-5-6-18(30-17)20-21-19(25-31-26-21)14(11-24-20)16-4-3-9-29-16/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C34H16F4N6O2S4/c1-9-8-47-31-15(9)19(35)32-17(20(31)36)11(3)30(50-32)27-25-23(42-46-44-25)13(7-40-27)28-10(2)16-21(37)34-18(22(38)33(16)48-28)12(4)29(49-34)26-24-14(5-6-39-26)41-45-43-24/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C25H13F2N3O3S2/c1-10-9-34-24-16(10)18(26)25-17(19(24)27)11(2)23(35-25)15-6-5-14(32-15)21-22-20(29-33-30-22)12(8-28-21)13-4-3-7-31-13/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C25H13F4N5O3/c1-33-9-11(26)15-17(27)25-16(19(29)24(15)33)18(28)23(34(25)2)14-6-5-13(36-14)21-22-20(31-37-32-22)10(8-30-21)12-4-3-7-35-12/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C23H9F2N3O3S2/c24-17-10-5-7-32-22(10)18(25)11-8-16(33-23(11)17)14-3-4-15(30-14)20-21-19(27-31-28-21)12(9-26-20)13-2-1-6-29-13/h1-9H


key: InChI
value:
  InChI=1S/C27H19F2N5O5/c1-33-11-16(35-3)17-19(28)26-18(20(29)25(17)33)27(36-4)24(34(26)2)15-8-7-14(38-15)22-23-21(31-39-32-23)12(10-30-22)13-6-5-9-37-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C25H13F2N3O7/c1-31-14-9-34-23-15(14)17(26)24-16(18(23)27)25(32-2)22(36-24)13-6-5-12(35-13)20-21-19(29-37-30-21)10(8-28-20)11-4-3-7-33-11/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C21H9F2N3S5/c22-11-5-7-28-20(11)21-12(23)8-16(30-21)14-3-4-15(29-14)18-19-17(25-31-26-19)10(9-24-18)13-2-1-6-27-13/h1-9H


key: InChI
value:
  InChI=1S/C25H13F2N3O5S2/c1-31-14-9-36-24-15(14)17(26)25-16(18(24)27)22(32-2)23(37-25)13-6-5-12(34-13)20-21-19(29-35-30-21)10(8-28-20)11-4-3-7-33-11/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C27H19F2N5O3S2/c1-33-11-16(38-3)17-19(28)26-18(20(29)25(17)33)27(39-4)24(34(26)2)15-8-7-14(36-15)22-23-21(31-37-32-23)12(10-30-22)13-6-5-9-35-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C25H13F2N3O5S2/c1-36-14-9-32-23-15(14)17(26)24-16(18(23)27)25(37-2)22(34-24)13-6-5-12(33-13)20-21-19(29-35-30-21)10(8-28-20)11-4-3-7-31-11/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C25H13F2N3O3S4/c1-34-14-9-36-23-15(14)17(26)24-16(18(23)27)25(35-2)22(37-24)13-6-5-12(32-13)20-21-19(29-33-30-21)10(8-28-20)11-4-3-7-31-11/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C21H11N3S5/c1-3-13(25-9-1)12-11-22-20(21-19(12)23-29-24-21)18-8-7-17(28-18)16-6-5-15(27-16)14-4-2-10-26-14/h1-11H


key: InChI
value:
  InChI=1S/C25H15N3O5/c1-12-11-30-20-9-15-13(2)25(32-21(15)8-14(12)20)19-6-5-18(31-19)23-24-22(27-33-28-24)16(10-26-23)17-4-3-7-29-17/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H15N3O3S2/c1-12-11-32-20-9-15-13(2)25(33-21(15)8-14(12)20)19-6-5-18(30-19)23-24-22(27-31-28-24)16(10-26-23)17-4-3-7-29-17/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H15F2N5O3/c1-31-11-15(26)12-8-17-13(9-16(12)31)21(27)25(32(17)2)20-6-5-19(34-20)23-24-22(29-35-30-24)14(10-28-23)18-4-3-7-33-18/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H17N5O3/c1-29-8-7-14-10-18-15(11-17(14)29)12-19(30(18)2)21-5-6-22(32-21)24-25-23(27-33-28-25)16(13-26-24)20-4-3-9-31-20/h3-13H,1-2H3


key: InChI
value:
  InChI=1S/C23H11N3O3S2/c1-2-15(27-6-1)14-11-24-22(23-21(14)25-29-26-23)17-4-3-16(28-17)20-10-13-9-18-12(5-7-30-18)8-19(13)31-20/h1-11H


key: InChI
value:
  InChI=1S/C23H9F2N3O3S2/c24-13-9-32-17-7-11-18(6-10(13)17)33-23(19(11)25)16-4-3-15(30-16)21-22-20(27-31-28-22)12(8-26-21)14-2-1-5-29-14/h1-9H


key: InChI
value:
  InChI=1S/C27H21N5O5/c1-31-13-22(33-3)14-10-18-15(11-17(14)31)27(34-4)26(32(18)2)21-8-7-20(36-21)24-25-23(29-37-30-25)16(12-28-24)19-6-5-9-35-19/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C30H4F8N6O2S4/c31-6-4-47-25-8(6)12(32)26-10(14(25)34)17(37)30(49-26)23-21-19(42-46-44-21)5(3-40-23)24-13(33)9-15(35)28-11(16(36)27(9)48-24)18(38)29(50-28)22-20-7(1-2-39-22)41-45-43-20/h1-4H


key: InChI
value:
  InChI=1S/C23H11N3O5/c1-2-15(27-6-1)14-11-24-22(23-21(14)25-31-26-23)17-4-3-16(29-17)20-10-13-9-18-12(5-7-28-18)8-19(13)30-20/h1-11H


key: InChI
value:
  InChI=1S/C23H7F4N3S5/c24-9-7-32-22-13(9)15(25)23-14(17(22)27)16(26)21(34-23)12-4-3-11(33-12)19-20-18(29-35-30-20)8(6-28-19)10-2-1-5-31-10/h1-7H


key: InChI
value:
  InChI=1S/C25H15N3O7/c1-29-20-11-32-18-9-13-19(8-12(18)20)34-25(24(13)30-2)17-6-5-16(33-17)22-23-21(27-35-28-23)14(10-26-22)15-4-3-7-31-15/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H15N3O5S2/c1-34-20-11-30-18-9-13-19(8-12(18)20)32-24(25(13)35-2)17-6-5-16(31-17)22-23-21(27-33-28-23)14(10-26-22)15-4-3-7-29-15/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H15N3O5S2/c1-29-18-11-34-19-9-13-20(8-12(18)19)35-25(24(13)30-2)17-6-5-16(32-17)22-23-21(27-33-28-23)14(10-26-22)15-4-3-7-31-15/h3-11H,1-2H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2OC)oc(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3OC)occ4F)OC)o2)F)OC)o1)F	


key: CAN_SMILES
value:
  COc1c2c(F)c(oc2c(c2c1oc(c2F)c1nccc2c1nn(n2)C)OC)c1cnc(c2c1nn(n2)C)c1oc2c(c1F)c(OC)c1c(c2OC)c(F)co1	


key: InChI
value:
  InChI=1S/C36H22F4N8O8/c1-47-43-13-7-8-41-24(22(13)45-47)35-20(40)17-30(52-6)33-15(29(51-5)34(17)56-35)18(38)26(54-33)11-9-42-25(23-21(11)44-48(2)46-23)36-19(39)16-28(50-4)31-14(12(37)10-53-31)27(49-3)32(16)55-36/h7-10H,1-6H3


key: InChI
value:
  InChI=1S/C27H19N3O4S3/c1-12-19-15(31-3)11-33-24(19)13(2)20-25(12)34-26(27(20)32-4)18-8-7-17(36-18)22-23-21(29-37-30-23)14(10-28-22)16-6-5-9-35-16/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C25H15N3O3S4/c1-32-20-11-34-18-9-13-19(8-12(18)20)35-25(24(13)33-2)17-6-5-16(30-17)22-23-21(27-31-28-23)14(10-26-22)15-4-3-7-29-15/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C23H15N3O2S5/c1-29-17-7-8-27-22(17)23-18(30-2)10-13(28-23)15-5-6-16(32-15)20-21-19(25-33-26-21)12(11-24-20)14-4-3-9-31-14/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C27H19N3O2S3/c1-12-11-31-26-15(4)21-14(3)25(32-27(21)13(2)20(12)26)19-8-7-18(34-19)23-24-22(29-35-30-24)16(10-28-23)17-6-5-9-33-17/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C25H13F2N3O2S3/c1-10-17-13(26)9-31-23(17)11(2)18-19(27)25(32-24(10)18)16-6-5-15(34-16)21-22-20(29-35-30-22)12(8-28-21)14-4-3-7-33-14/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C25H15N3O2S5/c1-29-22-12-7-9-32-24(12)23(30-2)13-10-18(34-25(13)22)16-5-6-17(33-16)20-21-19(27-35-28-21)14(11-26-20)15-4-3-8-31-15/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C30H8F4N6O2S4/c31-18-9-2-4-43-27(9)19(32)11-6-17(46-28(11)18)25-26-22(38-42-40-26)13(8-36-25)15-5-10-20(33)30-12(21(34)29(10)44-15)7-16(45-30)24-23-14(1-3-35-24)37-41-39-23/h1-8H


key: InChI
value:
  InChI=1S/C23H17N5S3/c1-27-11-3-5-15(27)16-7-8-17(28(16)2)19-9-10-20(30-19)22-23-21(25-31-26-23)14(13-24-22)18-6-4-12-29-18/h3-13H,1-2H3


key: InChI
value:
  InChI=1S/C23H15N3O2S5/c1-27-13-7-9-30-22(13)23-14(28-2)10-18(32-23)16-5-6-17(31-16)20-21-19(25-33-26-21)12(11-24-20)15-4-3-8-29-15/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H21N5S5/c1-29-10-9-19(31-3)24(29)25-20(32-4)12-15(30(25)2)17-7-8-18(34-17)22-23-21(27-35-28-23)14(13-26-22)16-6-5-11-33-16/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C23H15N3O4S3/c1-27-13-7-8-29-22(13)23-15(28-2)10-14(30-23)17-5-6-18(32-17)20-21-19(25-33-26-21)12(11-24-20)16-4-3-9-31-16/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C23H15N3S7/c1-27-16-7-9-30-22(16)23-18(28-2)10-17(32-23)14-5-6-15(31-14)20-21-19(25-33-26-21)12(11-24-20)13-4-3-8-29-13/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H21N5O2S3/c1-29-10-9-16(31-3)24(29)25-17(32-4)12-15(30(25)2)19-7-8-20(34-19)22-23-21(27-35-28-23)14(13-26-22)18-6-5-11-33-18/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C27H19F2N5S3/c1-12-19-15(28)11-33(3)25(19)13(2)20-21(29)27(34(4)26(12)20)18-8-7-17(36-18)23-24-22(31-37-32-24)14(10-30-23)16-6-5-9-35-16/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C25H13F2N3S5/c1-10-17-13(26)9-32-23(17)11(2)18-19(27)25(34-24(10)18)16-6-5-15(33-16)21-22-20(29-35-30-22)12(8-28-21)14-4-3-7-31-14/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C27H19F2N5O2S3/c1-33-11-13(28)17-24(33)27(36-4)18-19(29)23(34(2)25(18)26(17)35-3)16-8-7-15(38-16)21-22-20(31-39-32-22)12(10-30-21)14-6-5-9-37-14/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C23H7F4N3O2S3/c24-9-7-31-22-13(9)15(25)23-14(17(22)27)16(26)21(32-23)12-4-3-11(34-12)19-20-18(29-35-30-20)8(6-28-19)10-2-1-5-33-10/h1-7H


key: InChI
value:
  InChI=1S/C25H13F2N3O3S4/c1-34-22-15-11(26)9-36-24(15)23(35-2)16-17(27)21(37-25(16)22)14-6-5-13(32-14)19-20-18(29-33-30-20)10(8-28-19)12-4-3-7-31-12/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C27H21N5O3S2/c1-31-10-9-14-24(31)27(37-4)15-12-17(32(2)25(15)26(14)36-3)19-7-8-20(34-19)22-23-21(29-35-30-23)16(13-28-22)18-6-5-11-33-18/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C21H11N3O2S3/c1-3-13(25-9-1)14-5-6-15(26-14)17-7-8-18(28-17)20-21-19(23-29-24-21)12(11-22-20)16-4-2-10-27-16/h1-11H


key: InChI
value:
  InChI=1S/C27H15F4N3O2S7/c1-35-19-11-10(37-3)7-40-22(11)20(36-2)12-23(19)41-27(24(12)38-4)26-15(31)14(30)25(42-26)18-17-16(33-43-34-17)8(5-32-18)21-13(29)9(28)6-39-21/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O4S5/c1-35-19-11-10(39-3)6-37-21(11)20(36-2)12-22(19)38-23(25(12)40-4)27-15(31)14(30)26(42-27)18-17-16(33-43-34-17)8(5-32-18)24-13(29)9(28)7-41-24/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H9F6N3S7/c1-35-19-9-7(26)4-38-21(9)20(36-2)10-12(29)24(39-22(10)19)25-14(31)13(30)23(40-25)17-16-15(33-41-34-16)6(3-32-17)18-11(28)8(27)5-37-18/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C25H11F4N3S7/c1-33-20-8-3-4-35-22(8)21(34-2)9-5-12(37-23(9)20)24-14(28)15(29)25(38-24)18-17-16(31-39-32-17)10(6-30-18)19-13(27)11(26)7-36-19/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C27H17F4N5S5/c1-35-6-5-10-21(35)25(38-4)11-7-14(36(2)22(11)24(10)37-3)26-16(30)17(31)27(40-26)20-19-18(33-41-34-19)12(8-32-20)23-15(29)13(28)9-39-23/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O2S5/c1-8-6-35-21-12(8)24(37-3)22-13(25(21)38-4)9(2)20(36-22)27-16(31)15(30)26(40-27)19-18-17(33-41-34-18)10(5-32-19)23-14(29)11(28)7-39-23/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F6N5S5/c1-37-6-9(28)11-20(37)25(40-4)12-14(31)22(38(2)21(12)24(11)39-3)27-16(33)15(32)26(42-27)19-18-17(35-43-36-18)8(5-34-19)23-13(30)10(29)7-41-23/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F4N5S5/c1-10-8-37(3)23-14(10)26(39-5)24-15(27(23)40-6)11(2)22(38(24)4)29-18(33)17(32)28(42-29)21-20-19(35-43-36-20)12(7-34-21)25-16(31)13(30)9-41-25/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H15F4N3S7/c1-8-6-37-24-12(8)22(35-3)25-13(23(24)36-4)9(2)20(39-25)27-16(31)15(30)26(40-27)19-18-17(33-41-34-18)10(5-32-19)21-14(29)11(28)7-38-21/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C25H11F4N3O2S5/c1-35-22-8-3-4-33-19(8)23(36-2)9-5-12(34-20(9)22)24-14(28)15(29)25(38-24)18-17-16(31-39-32-17)10(6-30-18)21-13(27)11(26)7-37-21/h3-7H,1-2H3


key: InChI
value:
  InChI=1S/C29H21F4N5O2S5/c1-37-8-12(39-3)13-21(37)27(42-6)14-22(26(13)41-5)38(2)23(24(14)40-4)29-17(33)16(32)28(44-29)20-19-18(35-45-36-19)10(7-34-20)25-15(31)11(30)9-43-25/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C25H9F6N3O2S5/c1-37-22-9-7(26)4-35-18(9)23(38-2)10-12(29)20(36-19(10)22)25-14(31)13(30)24(40-25)17-16-15(33-41-34-16)6(3-32-17)21-11(28)8(27)5-39-21/h3-5H,1-2H3


key: InChI
value:
  InChI=1S/C27H15F4N3O2S7/c1-35-10-7-40-23-11(10)21(37-3)24-12(22(23)38-4)19(36-2)27(41-24)26-15(31)14(30)25(42-26)18-17-16(33-43-34-17)8(5-32-18)20-13(29)9(28)6-39-20/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O2S7/c1-37-10-6-35-19-11(10)23(38-2)20-12(24(19)39-3)25(40-4)21(36-20)27-15(31)14(30)26(42-27)18-17-16(33-43-34-17)8(5-32-18)22-13(29)9(28)7-41-22/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O4S5/c1-35-10-6-37-20-11(10)24(39-3)21-12(25(20)40-4)19(36-2)22(38-21)27-15(31)14(30)26(42-27)18-17-16(33-43-34-17)8(5-32-18)23-13(29)9(28)7-41-23/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F4N5S7/c1-37-8-12(39-3)13-21(37)26(41-5)14-22(25(13)40-4)38(2)23(27(14)42-6)29-17(33)16(32)28(44-29)20-19-18(35-45-36-19)10(7-34-20)24-15(31)11(30)9-43-24/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H25N5O5S2/c1-33-13-18(35-3)19-25(33)29(41-6)20-26(28(19)40-5)34(2)24(27(20)36-4)17-10-9-16(38-17)22-23-21(31-39-32-23)14(12-30-22)15-8-7-11-37-15/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C23H9F2N3S5/c24-17-10-5-7-30-22(10)18(25)11-8-16(32-23(11)17)14-3-4-15(31-14)20-21-19(27-33-28-21)12(9-26-20)13-2-1-6-29-13/h1-9H


key: InChI
value:
  InChI=1S/C27H15F4N3S9/c1-35-10-7-40-23-11(10)20(36-2)24-12(21(23)37-3)22(38-4)27(41-24)26-15(31)14(30)25(42-26)18-17-16(33-43-34-17)8(5-32-18)19-13(29)9(28)6-39-19/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C26H24N6S2/c1-15-10-12-33-25(15)26-16(2)13-21(34-26)19-8-9-20(31(19)4)23-24-22(28-32(5)29-24)17(14-27-23)18-7-6-11-30(18)3/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C26H24F2N8/c1-32-11-6-7-18(32)15-14-29-23(24-22(15)30-36(5)31-24)20-9-8-19(34(20)3)21-13-17(28)26(35(21)4)25-16(27)10-12-33(25)2/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C26H24N6S4/c1-30-11-6-7-16(30)15-14-27-23(24-22(15)28-32(3)29-24)18-9-8-17(31(18)2)20-13-21(34-5)26(36-20)25-19(33-4)10-12-35-25/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C32H34N8/c1-17-16-37(6)31-20(4)26-19(3)30(39(8)32(26)18(2)25(17)31)24-13-12-23(38(24)7)28-29-27(34-40(9)35-29)21(15-33-28)22-11-10-14-36(22)5/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C30H28N6S2/c1-15-14-37-29-18(4)24-17(3)28(38-30(24)16(2)23(15)29)22-11-10-21(35(22)6)26-27-25(32-36(7)33-27)19(13-31-26)20-9-8-12-34(20)5/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C23H9F2N3S5/c24-13-9-30-17-7-11-18(6-10(13)17)32-23(19(11)25)16-4-3-15(31-16)21-22-20(27-33-28-22)12(8-26-21)14-2-1-5-29-14/h1-9H


key: InChI
value:
  InChI=1S/C30H28F2N8/c1-15-22-18(31)14-37(4)28(22)16(2)23-24(32)30(39(6)29(15)23)21-11-10-20(38(21)5)26-27-25(34-40(7)35-27)17(13-33-26)19-9-8-12-36(19)3/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C28H22F2N6O2/c1-13-20-16(29)12-37-26(20)14(2)21-22(30)28(38-27(13)21)19-9-8-18(35(19)4)24-25-23(32-36(5)33-25)15(11-31-24)17-7-6-10-34(17)3/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C28H22F2N6S2/c1-13-20-16(29)12-37-26(20)14(2)21-22(30)28(38-27(13)21)19-9-8-18(35(19)4)24-25-23(32-36(5)33-25)15(11-31-24)17-7-6-10-34(17)3/h6-12H,1-5H3


key: InChI
value:
  InChI=1S/C30H30N8/c1-17-19-12-14-35(4)29(19)18(2)20-15-25(37(6)30(17)20)23-10-11-24(36(23)5)27-28-26(32-38(7)33-28)21(16-31-27)22-9-8-13-34(22)3/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C30H28N6O4/c1-15-22-21(37-6)14-39-27(22)16(2)23-28(15)40-29(30(23)38-7)20-11-10-19(35(20)4)25-26-24(32-36(5)33-26)17(13-31-25)18-9-8-12-34(18)3/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C32H34N8S2/c1-17-24-23(41-8)16-37(4)29(24)18(2)25-30(17)39(6)31(32(25)42-9)22-13-12-21(38(22)5)27-28-26(34-40(7)35-28)19(15-33-27)20-11-10-14-36(20)3/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C30H28N6O2S2/c1-15-22-21(39-6)14-37-27(22)16(2)23-28(15)38-29(30(23)40-7)20-11-10-19(35(20)4)25-26-24(32-36(5)33-26)17(13-31-25)18-9-8-12-34(18)3/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C30H28N6S4/c1-15-22-21(37-6)14-39-27(22)16(2)23-28(15)40-29(30(23)38-7)20-11-10-19(35(20)4)25-26-24(32-36(5)33-26)17(13-31-25)18-9-8-12-34(18)3/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C30H28F2N8S2/c1-36-12-8-9-16(36)15-13-33-25(26-24(15)34-40(5)35-26)17-10-11-18(38(17)3)27-30(42-7)21-23(32)28-20(19(41-6)14-37(28)2)22(31)29(21)39(27)4/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C28H24N6S4/c1-32-10-6-7-18(32)17-13-29-25(26-24(17)30-34(3)31-26)19-8-9-20(33(19)2)28-27(36-5)16-12-21-15(11-22(16)38-28)23(35-4)14-37-21/h6-14H,1-5H3


key: InChI
value:
  InChI=1S/C30H28N6O4/c1-15-14-39-29-21(15)27(37-6)30-22(28(29)38-7)16(2)26(40-30)20-11-10-19(35(20)4)24-25-23(32-36(5)33-25)17(13-31-24)18-9-8-12-34(18)3/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C30H28N6O2S2/c1-15-14-39-29-21(15)26(37-6)30-22(27(29)38-7)16(2)28(40-30)20-11-10-19(35(20)4)24-25-23(32-36(5)33-25)17(13-31-24)18-9-8-12-34(18)3/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C30H28N6O4S2/c1-34-12-8-9-16(34)15-13-31-23(24-22(15)32-36(3)33-24)17-10-11-18(35(17)2)25-30(42-7)21-27(38-5)28-20(19(41-6)14-39-28)26(37-4)29(21)40-25/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C30H28N6O2S4/c1-34-12-8-9-16(34)15-13-31-23(24-22(15)32-36(3)33-24)17-10-11-18(35(17)2)27-30(40-7)21-26(38-5)28-20(19(39-6)14-41-28)25(37-4)29(21)42-27/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C30H30N8O2/c1-34-13-8-9-20(34)19-16-31-25(26-24(19)32-38(5)33-26)22-11-10-21(36(22)3)23-15-18-28(37(23)4)29(39-6)17-12-14-35(2)27(17)30(18)40-7/h8-16H,1-7H3


key: InChI
value:
  InChI=1S/C30H28N6O2S2/c1-15-14-37-27-21(15)29(39-6)28-22(30(27)40-7)16(2)26(38-28)20-11-10-19(35(20)4)24-25-23(32-36(5)33-25)17(13-31-24)18-9-8-12-34(18)3/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C32H34N8O2S2/c1-36-14-10-11-18(36)17-15-33-25(26-24(17)34-40(5)35-26)19-12-13-20(38(19)3)27-30(42-7)23-29(39(27)4)31(43-8)22-21(41-6)16-37(2)28(22)32(23)44-9/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C30H28N6O4S2/c1-34-12-8-9-16(34)15-13-31-23(24-22(15)32-36(3)33-24)17-10-11-18(35(17)2)25-26(38-5)21-28(40-25)29(41-6)20-19(37-4)14-39-27(20)30(21)42-7/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C30H28N6O2S4/c1-34-12-8-9-16(34)15-13-31-23(24-22(15)32-36(3)33-24)17-10-11-18(35(17)2)26-25(38-5)21-28(40-7)29-20(19(37-4)14-41-29)27(39-6)30(21)42-26/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C27H21N5O3S2/c1-31-13-22(36-3)14-10-18-15(11-17(14)31)27(37-4)26(32(18)2)21-8-7-20(34-21)24-25-23(29-35-30-25)16(12-28-24)19-6-5-9-33-19/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C29H25N5O5/c1-14-13-33(3)26-20(14)28(35-5)27-21(29(26)36-6)15(2)25(34(27)4)19-10-9-18(38-19)23-24-22(31-39-32-24)16(12-30-23)17-8-7-11-37-17/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C27H19N3S7/c1-12-19-18(31-3)11-34-24(19)13(2)20-25(12)36-26(27(20)32-4)17-8-7-16(35-17)22-23-21(29-37-30-23)14(10-28-22)15-6-5-9-33-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O2S5/c1-12-19-15(31-3)11-34-25(19)13(2)20-24(32-4)27(36-26(12)20)18-8-7-17(35-18)22-23-21(29-37-30-23)14(10-28-22)16-6-5-9-33-16/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O2S5/c1-12-19-18(33-3)11-31-24(19)13(2)20-25(12)32-26(27(20)34-4)17-8-7-16(36-17)22-23-21(29-37-30-23)14(10-28-22)15-6-5-9-35-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19F2N5S3/c1-12-11-33(3)26-18(12)20(28)27-19(21(26)29)13(2)25(34(27)4)17-8-7-16(36-17)23-24-22(31-37-32-24)14(10-30-23)15-6-5-9-35-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C25H13F2N3O2S3/c1-10-9-31-24-16(10)18(26)25-17(19(24)27)11(2)23(32-25)15-6-5-14(34-15)21-22-20(29-35-30-22)12(8-28-21)13-4-3-7-33-13/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C25H13F2N3S5/c1-10-9-32-24-16(10)18(26)25-17(19(24)27)11(2)23(34-25)15-6-5-14(33-15)21-22-20(29-35-30-22)12(8-28-21)13-4-3-7-31-13/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C25H13F2N3O2S5/c1-31-11-9-34-24-15(11)17(26)25-16(18(24)27)22(32-2)23(36-25)14-6-5-13(35-14)20-21-19(29-37-30-21)10(8-28-20)12-4-3-7-33-12/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C25H13F4N5S3/c1-33-9-11(26)15-17(27)25-16(19(29)24(15)33)18(28)23(34(25)2)14-6-5-13(36-14)21-22-20(31-37-32-22)10(8-30-21)12-4-3-7-35-12/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C25H15F2N5S3/c1-31-8-7-12-19(26)25-13(20(27)24(12)31)10-15(32(25)2)17-5-6-18(34-17)22-23-21(29-35-30-23)14(11-28-22)16-4-3-9-33-16/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C27H19F2N5O2S3/c1-33-11-13(35-3)17-19(28)26-18(20(29)25(17)33)27(36-4)24(34(26)2)16-8-7-15(38-16)22-23-21(31-39-32-23)12(10-30-22)14-6-5-9-37-14/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C25H13F2N3O4S3/c1-31-11-9-33-23-15(11)17(26)24-16(18(23)27)25(32-2)22(34-24)14-6-5-13(36-14)20-21-19(29-37-30-21)10(8-28-20)12-4-3-7-35-12/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C30H8F4N6O6/c31-14-8-41-16-4-10-17(3-9(14)16)43-30(21(10)33)27-25-23(38-46-40-25)13(7-36-27)28-20(32)11-5-19-12(6-18(11)42-28)22(34)29(44-19)26-24-15(1-2-35-26)37-45-39-24/h1-8H


key: InChI
value:
  InChI=1S/C25H13F2N3S7/c1-31-14-9-34-23-15(14)17(26)24-16(18(23)27)25(32-2)22(36-24)13-6-5-12(35-13)20-21-19(29-37-30-21)10(8-28-20)11-4-3-7-33-11/h3-9H,1-2H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2F)sc(c3SC)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3F)scc4SC)F)s2)SC)F)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(F)c1sc(c(c1c2F)SC)c1nccc2c1nn(n2)C)c1cnc(c2c1nn(n2)C)c1sc2c(c1SC)c(F)c1c(c2F)c(SC)cs1	


key: InChI
value:
  InChI=1S/C36H22F4N8S8/c1-47-43-12-7-8-41-25(23(12)45-47)35-34(52-6)17-21(40)30-16(20(39)31(17)56-35)32(50-4)27(54-30)11-9-42-26(24-22(11)44-48(2)46-24)36-33(51-5)15-19(38)28-14(13(49-3)10-53-28)18(37)29(15)55-36/h7-10H,1-6H3


key: InChI
value:
  InChI=1S/C25H15N3S7/c1-29-22-12-7-9-32-24(12)23(30-2)13-10-18(34-25(13)22)16-5-6-17(33-16)20-21-19(27-35-28-21)14(11-26-20)15-4-3-8-31-15/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H13F2N3O2S5/c1-33-14-9-31-23-15(14)17(26)24-16(18(23)27)25(34-2)22(32-24)13-6-5-12(36-13)20-21-19(29-37-30-21)10(8-28-20)11-4-3-7-35-11/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C27H19N3S7/c1-12-11-34-26-18(12)24(31-3)27-19(25(26)32-4)13(2)23(36-27)17-8-7-16(35-17)21-22-20(29-37-30-22)14(10-28-21)15-6-5-9-33-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O6S3/c1-31-13-11-35-26-17(13)23(32-2)27-18(25(26)34-4)24(33-3)22(36-27)16-8-7-15(38-16)20-21-19(29-39-30-21)12(10-28-20)14-6-5-9-37-14/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O2S5/c1-12-11-31-24-18(12)26(33-3)25-19(27(24)34-4)13(2)23(32-25)17-8-7-16(36-17)21-22-20(29-37-30-22)14(10-28-21)15-6-5-9-35-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H21N5S5/c1-31-10-9-14-24(31)27(34-4)15-12-17(32(2)25(15)26(14)33-3)19-7-8-20(36-19)22-23-21(29-37-30-23)16(13-28-22)18-6-5-11-35-18/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C28H14F4N8O4/c1-39-35-16-3-5-33-22(21(16)37-39)18-9-15(32)28(44-18)27-13(30)7-17(42-27)11-10-34-23(24-20(11)36-40(2)38-24)19-8-14(31)26(43-19)25-12(29)4-6-41-25/h3-10H,1-2H3


key: InChI
value:
  InChI=1S/C25H13F2N3O2S5/c1-33-24-15-11(26)9-31-22(15)25(34-2)16-17(27)21(32-23(16)24)14-6-5-13(36-14)19-20-18(29-37-30-20)10(8-28-19)12-4-3-7-35-12/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C25H13F2N3S7/c1-31-22-15-11(26)9-34-24(15)23(32-2)16-17(27)21(36-25(16)22)14-6-5-13(35-14)19-20-18(29-37-30-20)10(8-28-19)12-4-3-7-33-12/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C29H23N3O6S3/c1-12-14-7-8-37-22(14)13(2)15-9-17(38-23(12)15)28-25(35-5)26(36-6)29(40-28)21-20-19(31-41-32-20)16(10-30-21)27-24(34-4)18(33-3)11-39-27/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H25N5S7/c1-33-13-18(35-3)19-25(33)29(38-6)20-26(27(19)36-4)34(2)24(28(20)37-5)17-10-9-16(40-17)22-23-21(31-41-32-23)14(12-30-22)15-8-7-11-39-15/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C29H25N5S5/c1-14-13-33(3)26-20(14)28(35-5)27-21(29(26)36-6)15(2)25(34(27)4)19-10-9-18(38-19)23-24-22(31-39-32-24)16(12-30-23)17-8-7-11-37-17/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C27H19F2N5S5/c1-33-11-13(28)17-24(33)27(36-4)18-19(29)23(34(2)25(18)26(17)35-3)16-8-7-15(38-16)21-22-20(31-39-32-22)12(10-30-21)14-6-5-9-37-14/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C25H15N3O2S5/c1-31-24-12-7-8-29-22(12)25(32-2)13-10-15(30-23(13)24)17-5-6-18(34-17)20-21-19(27-35-28-21)14(11-26-20)16-4-3-9-33-16/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C29H25N5O2S5/c1-33-13-15(35-3)19-25(33)29(38-6)20-26(28(19)37-5)34(2)24(27(20)36-4)18-10-9-17(40-18)22-23-21(31-41-32-23)14(12-30-22)16-8-7-11-39-16/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C27H19N3O2S7/c1-31-13-11-36-26-17(13)24(33-3)27-18(25(26)34-4)22(32-2)23(38-27)16-8-7-15(37-16)20-21-19(29-39-30-21)12(10-28-20)14-6-5-9-35-14/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C26H12N6O6Si2/c1-3-27-20(19-10(1)29-37-31-19)12-6-17-26(36-12)25-15(40-17)5-11(34-25)9-8-28-21(22-18(9)30-38-32-22)13-7-16-24(35-13)23-14(39-16)2-4-33-23/h1-8H,39-40H2


key: InChI
value:
  InChI=1S/C29H25N5O4S3/c1-33-13-15(35-3)19-25(33)29(38-6)20-26(27(19)36-4)34(2)24(28(20)37-5)18-10-9-17(40-18)22-23-21(31-41-32-23)14(12-30-22)16-8-7-11-39-16/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C27H19N3O4S5/c1-31-13-11-36-26-17(13)22(32-2)27-18(24(26)34-4)23(33-3)25(38-27)16-8-7-15(37-16)20-21-19(29-39-30-21)12(10-28-20)14-6-5-9-35-14/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19F2N5O5/c1-33-11-13(28)17-24(33)27(36-4)18-19(29)23(34(2)25(18)26(17)35-3)16-8-7-15(38-16)21-22-20(31-39-32-22)12(10-30-21)14-6-5-9-37-14/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C28H14F4N8S4/c1-39-35-16-3-5-33-22(21(16)37-39)18-9-15(32)28(44-18)27-13(30)7-17(42-27)11-10-34-23(24-20(11)36-40(2)38-24)19-8-14(31)26(43-19)25-12(29)4-6-41-25/h3-10H,1-2H3


key: InChI
value:
  InChI=1S/C25H15N3O5S2/c1-29-22-12-7-9-34-24(12)23(30-2)13-10-18(35-25(13)22)16-5-6-17(32-16)20-21-19(27-33-28-21)14(11-26-20)15-4-3-8-31-15/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C27H19N3O7/c1-12-11-34-26-18(12)24(31-3)27-19(25(26)32-4)13(2)23(36-27)17-8-7-16(35-17)21-22-20(29-37-30-22)14(10-28-21)15-6-5-9-33-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O5S2/c1-12-11-36-26-18(12)23(31-3)27-19(24(26)32-4)13(2)25(37-27)17-8-7-16(34-17)21-22-20(29-35-30-22)14(10-28-21)15-6-5-9-33-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C29H25N5O7/c1-33-13-18(35-3)19-25(33)29(38-6)20-26(27(19)36-4)34(2)24(28(20)37-5)17-10-9-16(40-17)22-23-21(31-41-32-23)14(12-30-22)15-8-7-11-39-15/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C25H13F2N3O7/c1-31-22-15-11(26)9-34-24(15)23(32-2)16-17(27)21(36-25(16)22)14-6-5-13(35-14)19-20-18(29-37-30-20)10(8-28-19)12-4-3-7-33-12/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C25H15N3O7/c1-29-22-12-7-9-32-24(12)23(30-2)13-10-18(34-25(13)22)16-5-6-17(33-16)20-21-19(27-35-28-21)14(11-26-20)15-4-3-8-31-15/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C27H21N5O5/c1-31-10-9-14-24(31)27(34-4)15-12-17(32(2)25(15)26(14)33-3)19-7-8-20(36-19)22-23-21(29-37-30-23)16(13-28-22)18-6-5-11-35-18/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O7S2/c1-31-16-11-38-26-17(16)22(32-2)27-18(24(26)34-4)23(33-3)25(39-27)15-8-7-14(36-15)20-21-19(29-37-30-21)12(10-28-20)13-6-5-9-35-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O9/c1-31-16-11-36-26-17(16)23(32-2)27-18(25(26)34-4)24(33-3)22(38-27)15-8-7-14(37-15)20-21-19(29-39-30-21)12(10-28-20)13-6-5-9-35-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C29H25N5O3S2/c1-14-13-33(3)26-20(14)28(38-5)27-21(29(26)39-6)15(2)25(34(27)4)19-10-9-18(36-19)23-24-22(31-37-32-24)16(12-30-23)17-8-7-11-35-17/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C29H25N5O5S2/c1-33-13-18(40-5)19-25(33)28(36-4)20-26(27(19)35-3)34(2)24(29(20)41-6)17-10-9-16(38-17)22-23-21(31-39-32-23)14(12-30-22)15-8-7-11-37-15/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C25H15N3O3S4/c1-32-22-12-7-9-34-24(12)23(33-2)13-10-18(35-25(13)22)16-5-6-17(30-16)20-21-19(27-31-28-21)14(11-26-20)15-4-3-8-29-15/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C27H19N3O5S4/c1-31-22-17-16(36-3)11-38-25(17)23(32-2)18-26(22)39-24(27(18)37-4)15-8-7-14(34-15)20-21-19(29-35-30-21)12(10-28-20)13-6-5-9-33-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O7S2/c1-31-23-17-16(38-3)11-34-25(17)24(32-2)18-26(23)36-22(27(18)39-4)15-8-7-14(35-15)20-21-19(29-37-30-21)12(10-28-20)13-6-5-9-33-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C25H13F2N3O5S2/c1-31-21-15-11(26)9-36-24(15)22(32-2)16-17(27)23(37-25(16)21)14-6-5-13(34-14)19-20-18(29-35-30-20)10(8-28-19)12-4-3-7-33-12/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C29H25N5O2S5/c1-33-13-18(37-5)19-25(33)28(36-4)20-26(27(19)35-3)34(2)24(29(20)38-6)17-10-9-16(40-17)22-23-21(31-41-32-23)14(12-30-22)15-8-7-11-39-15/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C27H19N3O4S5/c1-31-23-17-16(35-3)11-33-25(17)24(32-2)18-26(23)34-22(27(18)36-4)15-8-7-14(38-15)20-21-19(29-39-30-21)12(10-28-20)13-6-5-9-37-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19F2N5O3S2/c1-33-11-13(28)17-24(33)27(39-4)18-19(29)23(34(2)25(18)26(17)38-3)16-8-7-15(36-16)21-22-20(31-37-32-22)12(10-30-21)14-6-5-9-35-14/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O7S2/c1-31-16-11-34-24-17(16)26(38-3)25-18(27(24)39-4)23(32-2)22(36-25)15-8-7-14(35-15)20-21-19(29-37-30-21)12(10-28-20)13-6-5-9-33-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O5S4/c1-31-16-11-38-26-17(16)24(36-3)27-18(25(26)37-4)22(32-2)23(39-27)15-8-7-14(34-15)20-21-19(29-35-30-21)12(10-28-20)13-6-5-9-33-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C29H25N5O3S4/c1-33-13-18(38-3)19-25(33)29(41-6)20-26(27(19)39-4)34(2)24(28(20)40-5)17-10-9-16(36-17)22-23-21(31-37-32-23)14(12-30-22)15-8-7-11-35-15/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C29H25N5S3/c1-14-13-33(5)28-17(4)23-16(3)27(34(6)29(23)15(2)22(14)28)21-10-9-20(36-21)25-26-24(31-37-32-26)18(12-30-25)19-8-7-11-35-19/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C27H19N3S5/c1-12-11-32-26-15(4)21-14(3)25(34-27(21)13(2)20(12)26)19-8-7-18(33-19)23-24-22(29-35-30-24)16(10-28-23)17-6-5-9-31-17/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H21N5S3/c1-14-16-9-10-31(3)26(16)15(2)17-12-19(32(4)27(14)17)21-7-8-22(34-21)24-25-23(29-35-30-25)18(13-28-24)20-6-5-11-33-20/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C25H15N3S5/c1-12-14-7-9-30-24(14)13(2)15-10-20(32-25(12)15)18-5-6-19(31-18)22-23-21(27-33-28-23)16(11-26-22)17-4-3-8-29-17/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C36H26N8S4/c1-15-14-45-25-10-20-17(3)36(47-26(20)9-19(15)25)33-31-29(40-44(6)42-31)23(13-38-33)34-16(2)21-11-28-22(12-27(21)46-34)18(4)35(48-28)32-30-24(7-8-37-32)39-43(5)41-30/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C29H25N5O2S3/c1-14-21-17(35-5)13-33(3)26(21)15(2)22-27(14)34(4)28(29(22)36-6)20-10-9-19(38-20)24-25-23(31-39-32-25)16(12-30-24)18-8-7-11-37-18/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C29H25N5S5/c1-14-21-20(35-5)13-33(3)26(21)15(2)22-27(14)34(4)28(29(22)36-6)19-10-9-18(38-19)24-25-23(31-39-32-25)16(12-30-24)17-8-7-11-37-17/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C27H19F2N5S5/c1-33-11-16(35-3)17-19(28)26-18(20(29)25(17)33)27(36-4)24(34(26)2)15-8-7-14(38-15)22-23-21(31-39-32-23)12(10-30-22)13-6-5-9-37-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F2N3O6S3/c1-10-15-13(30)8-39-21(15)11(2)16-17(31)24(40-22(10)16)29-26(38-6)25(37-5)28(42-29)20-19-18(33-43-34-19)12(7-32-20)27-23(36-4)14(35-3)9-41-27/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H19N3O2S7/c1-33-16-11-31-23-17(16)25(34-2)24-18(27(23)36-4)26(35-3)22(32-24)15-8-7-14(38-15)20-21-19(29-39-30-21)12(10-28-20)13-6-5-9-37-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C30H32N6O6/c1-15-10-11-41-26(15)27-16(2)12-18(42-27)24-29(39-8)30(40-9)25(35(24)4)22-21-20(32-36(5)33-21)17(13-31-22)23-28(38-7)19(37-6)14-34(23)3/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C30H32F2N8O4/c1-36-11-10-16(31)24(36)25-17(32)12-18(38(25)3)26-29(43-8)30(44-9)27(39(26)4)22-21-20(34-40(5)35-21)15(13-33-22)23-28(42-7)19(41-6)14-37(23)2/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C28H26F2N6O6/c1-34-12-17(37-4)26(38-5)21(34)13-11-31-20(19-18(13)32-36(3)33-19)23-28(40-7)27(39-6)22(35(23)2)16-10-15(30)25(42-16)24-14(29)8-9-41-24/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C28H28N6O6/c1-32-14-19(35-4)26(36-5)23(32)15-13-29-22(21-20(15)30-34(3)31-21)25-28(38-7)27(37-6)24(33(25)2)18-11-10-17(40-18)16-9-8-12-39-16/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C28H28N6O4S2/c1-32-14-16(35-4)26(36-5)23(32)15-13-29-22(21-20(15)30-34(3)31-21)25-28(38-7)27(37-6)24(33(25)2)19-11-10-18(40-19)17-9-8-12-39-17/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C32H38N8O6/c1-36-13-12-19(41-6)27(36)28-20(42-7)14-18(38(28)3)26-31(45-10)32(46-11)29(39(26)4)24-23-22(34-40(5)35-23)17(15-33-24)25-30(44-9)21(43-8)16-37(25)2/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C30H32N6O8/c1-34-14-19(39-6)26(40-7)23(34)15-13-31-22(21-20(15)32-36(3)33-21)25-30(42-9)29(41-8)24(35(25)2)17-12-18(38-5)28(44-17)27-16(37-4)10-11-43-27/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C30H32N6O6S2/c1-34-14-18(39-6)26(40-7)23(34)15-13-31-22(21-20(15)32-36(3)33-21)25-28(42-9)27(41-8)24(35(25)2)19-12-17(38-5)30(44-19)29-16(37-4)10-11-43-29/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C30H32N6O4S4/c1-34-14-16(37-4)26(38-5)23(34)15-13-31-22(21-20(15)32-36(3)33-21)25-28(40-7)27(39-6)24(35(25)2)18-12-19(42-9)30(44-18)29-17(41-8)10-11-43-29/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C32H38N8O4S2/c1-36-13-12-20(45-10)27(36)28-21(46-11)14-18(38(28)3)26-31(43-8)32(44-9)29(39(26)4)24-23-22(34-40(5)35-23)17(15-33-24)25-30(42-7)19(41-6)16-37(25)2/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C32H30F2N6O6/c1-13-18-16(33)12-45-27(18)14(2)19-20(34)30(46-28(13)19)26-32(44-9)31(43-8)25(39(26)4)23-22-21(36-40(5)37-22)15(10-35-23)24-29(42-7)17(41-6)11-38(24)3/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C32H30F2N6O4S2/c1-13-18-16(33)12-45-30(18)14(2)19-20(34)32(46-31(13)19)26-29(44-9)28(43-8)25(39(26)4)23-22-21(36-40(5)37-22)15(10-35-23)24-27(42-7)17(41-6)11-38(24)3/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C28H18N8O4/c1-35-31-16-11-12-29-26(25(16)33-35)22-10-8-21(40-22)20-6-5-17(38-20)15-14-30-27(28-24(15)32-36(2)34-28)23-9-7-19(39-23)18-4-3-13-37-18/h3-14H,1-2H3


key: InChI
value:
  InChI=1S/C34H36N6O4S2/c1-15-14-45-32-17(3)22-18(4)34(46-33(22)16(2)21(15)32)28-31(44-11)30(43-10)27(39(28)6)25-24-23(36-40(7)37-24)19(12-35-25)26-29(42-9)20(41-8)13-38(26)5/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C34H38N8O4/c1-17-15-38(3)22-13-20-18(2)28(40(5)23(20)12-19(17)22)31-34(46-11)33(45-10)30(41(31)6)27-26-25(36-42(7)37-26)21(14-35-27)29-32(44-9)24(43-8)16-39(29)4/h12-16H,1-11H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2s1)OC)c(c(c1nccc2c1nn(n2)C)s3)F)OC)F)c1c(c2c(c(c3c(c2OC)scc3F)OC)s1)F	


key: CAN_SMILES
value:
  COc1c2c(F)c(sc2c(c2c1sc(c2F)c1nccc2c1nn(n2)C)OC)c1cnc(c2c1nn(n2)C)c1sc2c(c1F)c(OC)c1c(c2OC)c(F)cs1	


key: InChI
value:
  InChI=1S/C36H22F4N8O4S4/c1-47-43-13-7-8-41-24(22(13)45-47)35-20(40)17-29(52-6)33-15(28(51-5)34(17)56-35)18(38)30(54-33)11-9-42-25(23-21(11)44-48(2)46-23)36-19(39)16-27(50-4)31-14(12(37)10-53-31)26(49-3)32(16)55-36/h7-10H,1-6H3


key: InChI
value:
  InChI=1S/C34H36F2N8O4/c1-15-20-18(35)13-40(3)26(20)16(2)21-22(36)29(42(5)27(15)21)31-34(48-11)33(47-10)30(43(31)6)25-24-23(38-44(7)39-24)17(12-37-25)28-32(46-9)19(45-8)14-41(28)4/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C30H28N6O4S2/c1-34-14-18(37-4)28(38-5)25(34)17-13-31-24(23-22(17)32-36(3)33-23)27-30(40-7)29(39-6)26(35(27)2)21-12-16-11-19-15(8-9-41-19)10-20(16)42-21/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C30H26F2N6O4S2/c1-36-11-17(39-4)27(40-5)24(36)15-10-33-23(22-21(15)34-38(3)35-22)25-28(41-6)29(42-7)26(37(25)2)30-20(32)14-9-18-13(8-19(14)44-30)16(31)12-43-18/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C32H32N6O4S2/c1-15-14-43-21-11-18-16(2)32(44-22(18)10-17(15)21)28-31(42-9)30(41-8)27(37(28)4)25-24-23(34-38(5)35-24)19(12-33-25)26-29(40-7)20(39-6)13-36(26)3/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C27H21N5S3/c1-14-13-31(3)19-11-17-15(2)27(32(4)20(17)10-16(14)19)23-8-7-22(34-23)25-26-24(29-35-30-26)18(12-28-25)21-6-5-9-33-21/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C31H27F2N5O4S3/c1-12-10-37(3)24-16(12)18(32)25-17(19(24)33)13(2)23(38(25)4)31-28(42-8)27(41-7)30(44-31)22-21-20(35-45-36-21)14(9-34-22)29-26(40-6)15(39-5)11-43-29/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C32H30F2N6O6S2/c1-38-11-15(41-4)25(42-5)22(38)13-10-35-21(20-19(13)36-40(3)37-20)23-28(45-8)29(46-9)24(39(23)2)32-18(34)17-27(44-7)30-16(14(33)12-47-30)26(43-6)31(17)48-32/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C32H32N6O8/c1-36-14-19(39-4)30(42-7)23(36)17-13-33-22(21-20(17)34-38(3)35-21)25-32(44-9)31(43-8)24(37(25)2)18-12-16-27(41-6)28-15(10-11-45-28)26(40-5)29(16)46-18/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C36H26N8O4S4/c1-43-39-20-7-8-37-29(27(20)41-43)35-33(48-6)18-12-24-17(11-25(18)52-35)31(46-4)34(50-24)19-13-38-30(28-26(19)40-44(2)42-28)36-32(47-5)16-10-22-15(9-23(16)51-36)21(45-3)14-49-22/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C34H36N6O6S2/c1-15-14-47-33-19(15)28(43-8)34-20(29(33)44-9)16(2)32(48-34)26-31(46-11)30(45-10)25(39(26)4)23-22-21(36-40(5)37-22)17(12-35-23)24-27(42-7)18(41-6)13-38(24)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C30H26F2N6O6/c1-36-11-19(39-4)27(40-5)24(36)15-10-33-23(22-21(15)34-38(3)35-22)25-29(41-6)30(42-7)26(37(25)2)28-20(32)14-9-17-13(8-18(14)44-28)16(31)12-43-17/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C36H42N8O6/c1-17-15-40(3)28-21(17)33(47-10)29-22(34(28)48-11)18(2)26(42(29)5)31-36(50-13)35(49-12)30(43(31)6)25-24-23(38-44(7)39-24)19(14-37-25)27-32(46-9)20(45-8)16-41(27)4/h14-16H,1-13H3


key: InChI
value:
  InChI=1S/C34H38N8O6/c1-38-13-12-17-25(38)31(45-8)18-14-20(40(3)27(18)30(17)44-7)28-33(47-10)34(48-11)29(41(28)4)24-23-22(36-42(5)37-23)19(15-35-24)26-32(46-9)21(43-6)16-39(26)2/h12-16H,1-11H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(cc3c(c2)n(c(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(cc4c(c3)n(cc4F)C)n2C)F)C)n1C)F	


key: InChI
value:
  InChI=1S/C36H26F4N12/c1-47-14-20(37)15-9-23-16(10-22(15)47)27(39)36(49(23)3)33-31-29(44-52(6)46-31)19(13-42-33)34-26(38)17-11-25-18(12-24(17)48(34)2)28(40)35(50(25)4)32-30-21(7-8-41-32)43-51(5)45-30/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3O6S3/c1-10-8-39-23-14(10)16(30)24-15(17(23)31)11(2)21(40-24)29-26(38-6)25(37-5)28(42-29)20-19-18(33-43-34-19)12(7-32-20)27-22(36-4)13(35-3)9-41-27/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C32H30F2N6O6S2/c1-38-11-14(41-4)26(42-5)23(38)13-10-35-22(21-20(13)36-40(3)37-21)24-29(43-6)30(44-7)25(39(24)2)31-32(48-9)17-19(34)27-16(15(47-8)12-45-27)18(33)28(17)46-31/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C34H38N8O6/c1-38-15-22(43-6)17-12-21-18(13-20(17)38)31(45-8)29(40(21)3)30-34(48-11)33(47-10)28(41(30)4)26-25-24(36-42(5)37-25)19(14-35-26)27-32(46-9)23(44-7)16-39(27)2/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C25H17N5S3/c1-29-8-7-14-10-18-15(11-17(14)29)12-19(30(18)2)21-5-6-22(32-21)24-25-23(27-33-28-25)16(13-26-24)20-4-3-9-31-20/h3-13H,1-2H3


key: InChI
value:
  InChI=1S/C25H15F2N5S3/c1-31-11-15(26)12-8-17-13(9-16(12)31)21(27)25(32(17)2)20-6-5-19(34-20)23-24-22(29-35-30-24)14(10-28-23)18-4-3-7-33-18/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C23H9F2N3O2S3/c24-13-9-29-14-7-11-15(6-10(13)14)30-23(19(11)25)18-4-3-17(32-18)21-22-20(27-33-28-22)12(8-26-21)16-2-1-5-31-16/h1-9H


key: InChI
value:
  InChI=1S/C25H15N3O4S3/c1-29-17-11-31-15-9-13-16(8-12(15)17)32-25(24(13)30-2)20-6-5-19(34-20)22-23-21(27-35-28-23)14(10-26-22)18-4-3-7-33-18/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C23H11N3O2S3/c1-2-18(29-7-1)14-11-24-22(23-21(14)25-31-26-23)20-4-3-19(30-20)17-10-13-9-15-12(5-6-27-15)8-16(13)28-17/h1-11H


key: InChI
value:
  InChI=1S/C23H11N3S5/c1-2-15(27-6-1)14-11-24-22(23-21(14)25-31-26-23)17-4-3-16(29-17)20-10-13-9-18-12(5-7-28-18)8-19(13)30-20/h1-11H


key: InChI
value:
  InChI=1S/C27H21N5S5/c1-31-13-22(33-3)14-10-18-15(11-17(14)31)27(34-4)26(32(18)2)21-8-7-20(36-21)24-25-23(29-37-30-25)16(12-28-24)19-6-5-9-35-19/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C27H21N5O2S3/c1-31-13-19(33-3)14-10-18-15(11-17(14)31)27(34-4)26(32(18)2)22-8-7-21(36-22)24-25-23(29-37-30-25)16(12-28-24)20-6-5-9-35-20/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C25H15N3O2S5/c1-29-15-11-32-19-9-13-20(8-12(15)19)34-25(24(13)30-2)18-6-5-17(33-18)22-23-21(27-35-28-23)14(10-26-22)16-4-3-7-31-16/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H15N3S7/c1-29-20-11-32-18-9-13-19(8-12(18)20)34-25(24(13)30-2)17-6-5-16(33-17)22-23-21(27-35-28-23)14(10-26-22)15-4-3-7-31-15/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C29H25N5O2S3/c1-14-13-33(3)26-20(14)28(35-5)27-21(29(26)36-6)15(2)25(34(27)4)19-10-9-18(38-19)23-24-22(31-39-32-24)16(12-30-23)17-8-7-11-37-17/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C25H15N3O2S5/c1-31-20-11-29-15-9-13-16(8-12(15)20)30-24(25(13)32-2)19-6-5-18(34-19)22-23-21(27-35-28-23)14(10-26-22)17-4-3-7-33-17/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H15N3O2S3/c1-12-11-29-17-9-15-13(2)25(30-18(15)8-14(12)17)21-6-5-20(32-21)23-24-22(27-33-28-24)16(10-26-23)19-4-3-7-31-19/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C25H15N3S5/c1-12-11-30-20-9-15-13(2)25(32-21(15)8-14(12)20)19-6-5-18(31-19)23-24-22(27-33-28-24)16(10-26-23)17-4-3-7-29-17/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C32H34N8O4/c1-36-11-10-17-12-21-18(13-20(17)36)14-22(38(21)3)28-31(43-8)32(44-9)29(39(28)4)26-25-24(34-40(5)35-25)19(15-33-26)27-30(42-7)23(41-6)16-37(27)2/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C27H19N3O4S3/c1-12-11-33-26-18(12)24(31-3)27-19(25(26)32-4)13(2)23(34-27)17-8-7-16(36-17)21-22-20(29-37-30-22)14(10-28-21)15-6-5-9-35-15/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C25H13F2N3O4S3/c1-31-22-15-11(26)9-33-24(15)23(32-2)16-17(27)21(34-25(16)22)14-6-5-13(36-14)19-20-18(29-37-30-20)10(8-28-19)12-4-3-7-35-12/h3-9H,1-2H3


key: InChI
value:
  InChI=1S/C27H21N5O2S3/c1-31-10-9-14-24(31)27(34-4)15-12-17(32(2)25(15)26(14)33-3)19-7-8-20(36-19)22-23-21(29-37-30-23)16(13-28-22)18-6-5-11-35-18/h5-13H,1-4H3


key: InChI
value:
  InChI=1S/C25H15N3O4S3/c1-29-22-12-7-8-31-24(12)23(30-2)13-10-15(32-25(13)22)17-5-6-18(34-17)20-21-19(27-35-28-21)14(11-26-20)16-4-3-9-33-16/h3-11H,1-2H3


key: InChI
value:
  InChI=1S/C27H19N3O2S7/c1-31-22-17-16(33-3)11-36-25(17)23(32-2)18-26(22)38-24(27(18)34-4)15-8-7-14(37-15)20-21-19(29-39-30-21)12(10-28-20)13-6-5-9-35-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C30H28N6O6/c1-34-14-21(37-4)28(38-5)25(34)17-13-31-24(23-22(17)32-36(3)33-23)27-30(40-7)29(39-6)26(35(27)2)20-12-16-11-18-15(8-9-41-18)10-19(16)42-20/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C27H19N3O4S5/c1-31-13-11-33-24-17(13)26(35-3)25-18(27(24)36-4)23(32-2)22(34-25)16-8-7-15(38-16)20-21-19(29-39-30-21)12(10-28-20)14-6-5-9-37-14/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3S9/c1-31-16-11-36-26-17(16)23(32-2)27-18(25(26)34-4)24(33-3)22(38-27)15-8-7-14(37-15)20-21-19(29-39-30-21)12(10-28-20)13-6-5-9-35-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C32H38N8O4/c1-17-12-13-36(3)25(17)26-18(2)14-20(38(26)5)28-31(43-10)32(44-11)29(39(28)6)24-23-22(34-40(7)35-23)19(15-33-24)27-30(42-9)21(41-8)16-37(27)4/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C30H32N6O4S2/c1-15-10-11-41-29(15)30-16(2)12-19(42-30)24-27(39-8)28(40-9)25(35(24)4)22-21-20(32-36(5)33-21)17(13-31-22)23-26(38-7)18(37-6)14-34(23)3/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C32H32N6O6S2/c1-36-13-18(39-4)29(42-7)25(36)17-12-33-24(23-22(17)34-38(3)35-23)26-30(43-8)31(44-9)27(37(26)2)32-28(41-6)16-11-20-15(10-21(16)46-32)19(40-5)14-45-20/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C28H26F2N6O4S2/c1-34-12-16(37-4)24(38-5)21(34)13-11-31-20(19-18(13)32-36(3)33-19)23-26(40-7)25(39-6)22(35(23)2)17-10-15(30)28(42-17)27-14(29)8-9-41-27/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C30H34N8O4/c1-34-14-10-11-18(34)19-12-13-20(36(19)3)26-29(41-8)30(42-9)27(37(26)4)24-23-22(32-38(5)33-23)17(15-31-24)25-28(40-7)21(39-6)16-35(25)2/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C30H32N6O6S2/c1-34-14-17(37-4)26(38-5)23(34)15-13-31-22(21-20(15)32-36(3)33-21)25-30(40-7)29(39-6)24(35(25)2)16-12-19(44-9)28(42-16)27-18(43-8)10-11-41-27/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C32H32N6O8/c1-36-13-20(39-4)29(42-7)25(36)17-12-33-24(23-22(17)34-38(3)35-23)26-30(43-8)31(44-9)27(37(26)2)32-28(41-6)16-11-18-15(10-19(16)46-32)21(40-5)14-45-18/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C34H36N6O6/c1-15-14-45-29-17(3)22-18(4)31(46-30(22)16(2)21(15)29)28-34(44-11)33(43-10)27(39(28)6)25-24-23(36-40(7)37-24)19(12-35-25)26-32(42-9)20(41-8)13-38(26)5/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C34H38N8O4/c1-17-19-12-13-38(3)27(19)18(2)20-14-22(40(5)28(17)20)30-33(45-10)34(46-11)31(41(30)6)26-25-24(36-42(7)37-25)21(15-35-26)29-32(44-9)23(43-8)16-39(29)4/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C32H32N6O6/c1-15-17-10-11-43-28(17)16(2)18-12-20(44-29(15)18)26-31(41-8)32(42-9)27(37(26)4)24-23-22(34-38(5)35-23)19(13-33-24)25-30(40-7)21(39-6)14-36(25)3/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C34H38N8O4S2/c1-38-16-23(47-10)17-12-21-18(13-20(17)38)34(48-11)30(40(21)3)29-33(46-9)32(45-8)28(41(29)4)26-25-24(36-42(5)37-25)19(14-35-26)27-31(44-7)22(43-6)15-39(27)2/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C36H42N8O8/c1-40-16-19(46-7)31(47-8)25(40)17-14-37-24(23-22(17)38-44(5)39-23)28-35(51-12)36(52-13)30(43(28)4)29-34(50-11)21-27(42(29)3)32(48-9)20-18(45-6)15-41(2)26(20)33(21)49-10/h14-16H,1-13H3


key: InChI
value:
  InChI=1S/C29H21F2N3O4S5/c1-10-8-39-26-14(10)16(30)27-15(17(26)31)11(2)24(41-27)29-23(38-6)22(37-5)28(42-29)20-19-18(33-43-34-19)12(7-32-20)25-21(36-4)13(35-3)9-40-25/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C32H32N6O6S2/c1-36-14-18(39-4)28(42-7)23(36)17-13-33-22(21-20(17)34-38(3)35-21)25-30(44-9)29(43-8)24(37(25)2)19-12-16-27(41-6)31-15(10-11-45-31)26(40-5)32(16)46-19/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C34H36N6O10/c1-38-13-16(41-4)26(43-6)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-32(47-10)33(48-11)25(39(24)2)34-29(46-9)19-28(45-8)30-18(17(42-5)14-49-30)27(44-7)31(19)50-34/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C34H36N6O8S2/c1-38-13-16(41-4)26(42-5)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-31(45-8)32(46-9)25(39(24)2)33-34(50-11)19-28(44-7)29-18(17(49-10)14-47-29)27(43-6)30(19)48-33/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C34H36N6O8S2/c1-38-13-16(41-4)26(43-6)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-30(47-10)31(48-11)25(39(24)2)34-29(46-9)19-28(45-8)32-18(17(42-5)14-49-32)27(44-7)33(19)50-34/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C36H42N8O6S2/c1-40-15-18(45-6)31(46-7)25(40)17-14-37-24(23-22(17)38-44(5)39-23)28-34(49-10)35(50-11)29(43(28)4)30-36(52-13)21-27(42(30)3)32(47-8)20-19(51-12)16-41(2)26(20)33(21)48-9/h14-16H,1-13H3


key: InChI
value:
  InChI=1S/C34H36N6O6S4/c1-38-13-16(41-4)26(42-5)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-29(45-8)30(46-9)25(39(24)2)34-33(48-11)19-28(44-7)31-18(17(47-10)14-49-31)27(43-6)32(19)50-34/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C32H32N6O4S4/c1-36-14-18(39-4)26(40-5)23(36)17-13-33-22(21-20(17)34-38(3)35-21)25-28(42-7)27(41-6)24(37(25)2)19-12-16-30(44-9)31-15(10-11-45-31)29(43-8)32(16)46-19/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C36H42N8O4S2/c1-17-15-40(3)28-21(17)35(49-12)29-22(36(28)50-13)18(2)26(42(29)5)31-34(48-11)33(47-10)30(43(31)6)25-24-23(38-44(7)39-24)19(14-37-25)27-32(46-9)20(45-8)16-41(27)4/h14-16H,1-13H3


key: InChI
value:
  InChI=1S/C34H36N6O6S2/c1-15-14-45-29-19(15)33(47-10)30-20(34(29)48-11)16(2)27(46-30)26-32(44-9)31(43-8)25(39(26)4)23-22-21(36-40(5)37-22)17(12-35-23)24-28(42-7)18(41-6)13-38(24)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C32H30F2N6O6S2/c1-38-11-15(41-4)25(42-5)22(38)13-10-35-21(20-19(13)36-40(3)37-20)23-29(43-6)30(44-7)24(39(23)2)28-18(34)17-27(46-28)31(47-8)16-14(33)12-45-26(16)32(17)48-9/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C32H32N6O6S2/c1-36-14-19(39-4)28(40-5)23(36)17-13-33-22(21-20(17)34-38(3)35-21)25-30(42-7)29(41-6)24(37(25)2)18-12-16-27(44-18)31(45-8)15-10-11-43-26(15)32(16)46-9/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C28H12N6O2Se4/c1-3-29-22(21-16(1)31-35-33-21)18-9-14-6-13-7-17(38-27(13)28(14)40-18)15-10-30-23(24-20(15)32-36-34-24)19-8-12-5-11-2-4-37-25(11)26(12)39-19/h1-4,7-10H,5-6H2


key: InChI
value:
  InChI=1S/C34H36N6O4S4/c1-15-14-47-33-19(15)31(45-10)34-20(32(33)46-11)16(2)30(48-34)26-29(44-9)28(43-8)25(39(26)4)23-22-21(36-40(5)37-22)17(12-35-23)24-27(42-7)18(41-6)13-38(24)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C32H30F2N6O4S4/c1-38-11-15(41-4)25(42-5)22(38)13-10-35-21(20-19(13)36-40(3)37-20)23-26(43-6)27(44-7)24(39(23)2)32-18(34)17-29(46-9)30-16(14(33)12-47-30)28(45-8)31(17)48-32/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C29H21F4N5O4S3/c1-37-8-11(30)13-15(31)22-14(16(32)21(13)37)17(33)23(38(22)2)29-26(42-6)25(41-5)28(44-29)20-19-18(35-45-36-19)10(7-34-20)27-24(40-4)12(39-3)9-43-27/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C34H38N8O4S2/c1-38-13-12-17-26(38)34(48-11)18-14-20(40(3)27(18)33(17)47-10)28-31(45-8)32(46-9)29(41(28)4)24-23-22(36-42(5)37-23)19(15-35-24)25-30(44-7)21(43-6)16-39(25)2/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C34H36N6O6S4/c1-38-13-16(41-4)26(43-6)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-28(45-8)29(46-9)25(39(24)2)34-27(44-7)19-31(48-11)32-18(17(42-5)14-49-32)30(47-10)33(19)50-34/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C27H15F4N3O6S3/c1-35-10-7-41-25(19(10)36-2)8-5-32-18(17-16(8)33-43-34-17)26-23(37-3)24(38-4)27(42-26)22-15(31)12-14(30)20-11(9(28)6-39-20)13(29)21(12)40-22/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C34H36N6O8S2/c1-38-13-16(41-4)26(43-6)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-30(45-8)31(46-9)25(39(24)2)32-27(44-7)19-29(48-32)33(49-10)18-17(42-5)14-47-28(18)34(19)50-11/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C34H36N6O6S4/c1-38-13-16(41-4)26(42-5)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-29(43-6)30(44-7)25(39(24)2)31-34(50-11)19-28(46-31)32(48-9)18-17(47-8)14-45-27(18)33(19)49-10/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C27H15F4N3O4S5/c1-35-10-7-40-22(19(10)36-2)8-5-32-18(17-16(8)33-43-34-17)26-20(37-3)21(38-4)27(42-26)25-15(31)12-14(30)23-11(9(28)6-39-23)13(29)24(12)41-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C34H36N6O4S6/c1-38-13-16(41-4)26(42-5)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-27(43-6)28(44-7)25(39(24)2)34-31(48-11)19-30(47-10)32-18(17(45-8)14-49-32)29(46-9)33(19)50-34/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C29H29N5O7/c1-14-9-10-33(3)22(14)23-15(2)11-17(34(23)4)25-28(37-7)29(38-8)27(40-25)21-20-19(31-41-32-20)16(12-30-21)24-26(36-6)18(35-5)13-39-24/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C27H23N3O9/c1-12-7-8-35-20(12)21-13(2)9-15(37-21)24-26(33-5)27(34-6)25(38-24)19-18-17(29-39-30-18)14(10-28-19)22-23(32-4)16(31-3)11-36-22/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C25H19N3O7S2/c1-29-13-11-33-20(21(13)30-2)12-10-26-19(18-17(12)27-35-28-18)23-25(32-4)24(31-3)22(34-23)16-8-7-15(37-16)14-6-5-9-36-14/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C36H26N8O4S4/c1-43-39-20-7-9-37-26(25(20)41-43)22-13-18-32(48-6)35-16(31(47-5)36(18)51-22)11-21(50-35)19-14-38-27(28-24(19)40-44(2)42-28)23-12-17-30(46-4)33-15(8-10-49-33)29(45-3)34(17)52-23/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C25H17F2N3O7S2/c1-31-13-9-35-18(19(13)32-2)10-8-28-17(16-15(10)29-37-30-16)21-23(34-4)22(33-3)20(36-21)14-7-12(27)25(39-14)24-11(26)5-6-38-24/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C27H25N5O7/c1-31-11-7-8-15(31)16-9-10-17(32(16)2)23-26(35-5)27(36-6)25(38-23)21-20-19(29-39-30-20)14(12-28-21)22-24(34-4)18(33-3)13-37-22/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C25H19N3O9/c1-29-16-11-34-20(21(16)30-2)12-10-26-19(18-17(12)27-37-28-18)23-25(32-4)24(31-3)22(36-23)15-8-7-14(35-15)13-6-5-9-33-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C28H18N8S4/c1-35-31-16-11-12-29-26(25(16)33-35)22-10-8-21(40-22)20-6-5-17(38-20)15-14-30-27(28-24(15)32-36(2)34-28)23-9-7-19(39-23)18-4-3-13-37-18/h3-14H,1-2H3


key: InChI
value:
  InChI=1S/C27H23N3O7S2/c1-12-7-8-38-26(12)27-13(2)9-16(39-27)22-24(33-5)25(34-6)23(36-22)19-18-17(29-37-30-18)14(10-28-19)20-21(32-4)15(31-3)11-35-20/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H23F2N5O7/c1-33-8-7-13(28)20(33)21-14(29)9-15(34(21)2)23-26(37-5)27(38-6)25(40-23)19-18-17(31-41-32-18)12(10-30-19)22-24(36-4)16(35-3)11-39-22/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H29N5O9/c1-33-10-9-16(35-3)22(33)23-17(36-4)11-15(34(23)2)25-28(39-7)29(40-8)27(42-25)21-20-19(31-43-32-20)14(12-30-21)24-26(38-6)18(37-5)13-41-24/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C25H17F2N3O9/c1-31-14-9-36-18(21(14)32-2)10-8-28-17(16-15(10)29-39-30-16)23-25(34-4)24(33-3)22(38-23)13-7-12(27)20(37-13)19-11(26)5-6-35-19/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H29N5O7S2/c1-33-10-9-17(42-7)22(33)23-18(43-8)11-15(34(23)2)25-28(37-5)29(38-6)27(40-25)21-20-19(31-41-32-20)14(12-30-21)24-26(36-4)16(35-3)13-39-24/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C27H23N3O9S2/c1-31-13-7-8-40-26(13)27-14(32-2)9-16(41-27)22-24(35-5)25(36-6)23(38-22)19-18-17(29-39-30-18)12(10-28-19)20-21(34-4)15(33-3)11-37-20/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H23N3O7S4/c1-31-13-11-35-20(21(13)32-2)12-10-28-19(18-17(12)29-37-30-18)23-25(34-4)24(33-3)22(36-23)15-9-16(39-6)27(41-15)26-14(38-5)7-8-40-26/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O7S2/c1-12-11-42-29-14(3)19-15(4)31(43-30(19)13(2)18(12)29)28-27(38-8)26(37-7)25(40-28)22-21-20(33-41-34-21)16(9-32-22)23-24(36-6)17(35-5)10-39-23/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C30H12N6O2S4/c1-3-31-28(27-18(1)33-37-35-27)24-11-16-8-21-15(7-22(16)42-24)9-23(40-21)17-12-32-29(30-26(17)34-38-36-30)25-10-14-6-19-13(2-4-39-19)5-20(14)41-25/h1-12H


key: InChI
value:
  InChI=1S/C31H27N3O9/c1-12-10-39-23-14(3)19-15(4)25(41-24(19)13(2)18(12)23)31-30(38-8)29(37-7)28(42-31)22-21-20(33-43-34-21)16(9-32-22)26-27(36-6)17(35-5)11-40-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O4S7/c1-12-17-16(39-7)11-42-25(17)13(2)18-26(12)43-31(28(18)40-8)30-24(38-6)23(37-5)29(44-30)21-20-19(33-45-34-20)14(9-32-21)27-22(36-4)15(35-3)10-41-27/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O7/c1-14-12-37(5)25-16(3)21-17(4)27(38(6)26(21)15(2)20(14)25)31-33(42-10)32(41-9)30(44-31)24-23-22(35-45-36-23)18(11-34-24)28-29(40-8)19(39-7)13-43-28/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C27H23N3O9S2/c1-31-14-11-36-20(21(14)32-2)12-10-28-19(18-17(12)29-39-30-18)25-27(34-4)26(33-3)22(38-25)13-9-16(41-6)24(37-13)23-15(40-5)7-8-35-23/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3O9/c1-10-15-13(30)8-39-21(15)11(2)16-17(31)25(41-22(10)16)29-28(38-6)27(37-5)26(42-29)20-19-18(33-43-34-19)12(7-32-20)23-24(36-4)14(35-3)9-40-23/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O9/c1-12-14-7-8-37-22(14)13(2)15-9-17(39-23(12)15)26-28(35-5)29(36-6)27(40-26)21-20-19(31-41-32-20)16(10-30-21)24-25(34-4)18(33-3)11-38-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C33H33N5O9/c1-14-19-17(39-5)12-37(3)24(19)15(2)20-25(14)38(4)26(29(20)42-8)31-33(44-10)32(43-9)30(46-31)23-22-21(35-47-36-22)16(11-34-23)27-28(41-7)18(40-6)13-45-27/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O11/c1-12-17-15(35-3)10-41-22(17)13(2)18-23(12)43-30(26(18)38-6)31-29(40-8)28(39-7)27(44-31)21-20-19(33-45-34-20)14(9-32-21)24-25(37-5)16(36-4)11-42-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O7S2/c1-14-19-18(46-9)12-37(3)24(19)15(2)20-25(14)38(4)26(33(20)47-10)30-32(42-8)31(41-7)29(44-30)23-22-21(35-45-36-22)16(11-34-23)27-28(40-6)17(39-5)13-43-27/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C27H17F2N3O6S3/c1-33-14-9-39-25(22(14)34-2)12-8-30-19(18-17(12)31-41-32-18)27-24(36-4)23(35-3)26(40-27)13-7-11-16(29)20-10(5-6-37-20)15(28)21(11)38-13/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C31H27N3O7S4/c1-12-17-16(42-7)11-44-28(17)13(2)18-29(12)45-31(30(18)43-8)27-26(38-6)25(37-5)24(40-27)21-20-19(33-41-34-20)14(9-32-21)22-23(36-4)15(35-3)10-39-22/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27F2N5O7/c1-12-10-37(3)24-16(12)18(32)25-17(19(24)33)13(2)23(38(25)4)29-31(42-8)30(41-7)28(44-29)22-21-20(35-45-36-21)14(9-34-22)26-27(40-6)15(39-5)11-43-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O9/c1-10-8-39-24-14(10)16(30)25-15(17(24)31)11(2)21(41-25)29-28(38-6)27(37-5)26(42-29)20-19-18(33-43-34-19)12(7-32-20)22-23(36-4)13(35-3)9-40-22/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3O7S2/c1-10-9-42-28-14(10)16(30)29-15(17(28)31)11(2)27(43-29)26-25(38-6)24(37-5)23(40-26)20-19-18(33-41-34-19)12(7-32-20)21-22(36-4)13(35-3)8-39-21/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F4N5O7/c1-37-8-11(30)13-15(31)22-14(16(32)21(13)37)17(33)23(38(22)2)27-29(42-6)28(41-5)26(44-27)20-19-18(35-45-36-19)10(7-34-20)24-25(40-4)12(39-3)9-43-24/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H27F2N5O9/c1-37-10-13(39-3)15-17(32)23-16(18(33)22(15)37)27(42-6)24(38(23)2)29-31(44-8)30(43-7)28(46-29)21-20-19(35-47-36-20)12(9-34-21)25-26(41-5)14(40-4)11-45-25/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O9S2/c1-35-11-8-41-20(21(11)37-3)10-7-32-19(18-17(10)33-43-34-18)23-24(39-5)25(40-6)26(42-23)29-22(38-4)14-16(31)27-13(12(36-2)9-44-27)15(30)28(14)45-29/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H15F4N3O7S2/c1-35-10-6-39-19(20(10)36-2)8-5-32-18(17-16(8)33-41-34-17)21-22(37-3)23(38-4)24(40-21)27-15(31)12-14(30)25-11(9(28)7-42-25)13(29)26(12)43-27/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C29H23F2N5O7/c1-35-8-7-12-17(30)23-13(18(31)22(12)35)9-15(36(23)2)25-28(39-5)29(40-6)27(42-25)21-20-19(33-43-34-20)14(10-32-21)24-26(38-4)16(37-3)11-41-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H17F2N3O9/c1-33-14-9-38-22(23(14)34-2)12-8-30-19(18-17(12)31-41-32-18)25-27(36-4)26(35-3)24(40-25)13-7-11-16(29)20-10(5-6-37-20)15(28)21(11)39-13/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C27H17F2N3O7S2/c1-33-13-9-37-20(21(13)34-2)12-8-30-19(18-17(12)31-39-32-18)23-25(36-4)24(35-3)22(38-23)14-7-11-16(29)26-10(5-6-40-26)15(28)27(11)41-14/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F2N3O11/c1-35-11-8-42-22-13(11)15(30)23-14(16(22)31)24(38-4)28(43-23)29-27(40-6)26(39-5)25(44-29)19-18-17(33-45-34-18)10(7-32-19)20-21(37-3)12(36-2)9-41-20/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3O9S2/c1-35-11-8-39-20(21(11)36-2)10-7-32-19(18-17(10)33-43-34-18)24-25(37-3)26(38-4)27(42-24)28-29(45-6)14-16(31)22-13(12(44-5)9-40-22)15(30)23(14)41-28/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H27F2N5O6S3/c1-37-10-13(39-3)15-17(32)23-16(18(33)22(15)37)26(42-6)24(38(23)2)31-28(44-8)27(43-7)30(46-31)21-20-19(35-47-36-20)12(9-34-21)29-25(41-5)14(40-4)11-45-29/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27F2N5O7S2/c1-37-10-14(46-7)15-17(32)23-16(18(33)22(15)37)31(47-8)24(38(23)2)28-30(42-6)29(41-5)27(44-28)21-20-19(35-45-36-20)12(9-34-21)25-26(40-4)13(39-3)11-43-25/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H29N5O7/c1-14-12-35(3)19-10-17-15(2)25(36(4)20(17)9-16(14)19)29-31(40-8)30(39-7)28(42-29)24-23-22(33-43-34-23)18(11-32-24)26-27(38-6)21(37-5)13-41-26/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O7S4/c1-35-11-8-39-20(21(11)36-2)10-7-32-19(18-17(10)33-41-34-18)22-23(37-3)24(38-4)25(40-22)29-28(43-6)14-16(31)26-13(12(42-5)9-44-26)15(30)27(14)45-29/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O9/c1-12-10-37-17-8-15-13(2)23(39-18(15)7-14(12)17)29-28(36-6)27(35-5)26(40-29)22-21-20(31-41-32-21)16(9-30-22)24-25(34-4)19(33-3)11-38-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O7S2/c1-12-11-40-18-8-15-13(2)29(41-19(15)7-14(12)18)28-27(36-6)26(35-5)25(38-28)22-21-20(31-39-32-21)16(9-30-22)23-24(34-4)17(33-3)10-37-23/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H17F2N3O9/c1-33-16-9-38-21(22(16)34-2)12-7-30-20(19-18(12)31-41-32-19)24-25(35-3)26(36-4)27(40-24)23-17(29)11-6-14-10(5-15(11)39-23)13(28)8-37-14/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H25N5O7/c1-33-8-7-14-9-18-15(10-17(14)33)11-19(34(18)2)25-28(37-5)29(38-6)27(40-25)23-22-21(31-41-32-22)16(12-30-23)24-26(36-4)20(35-3)13-39-24/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O9/c1-35-12-19(37-3)14-9-18-15(10-17(14)35)25(39-5)24(36(18)2)29-31(42-8)30(41-7)28(44-29)23-22-21(33-45-34-22)16(11-32-23)26-27(40-6)20(38-4)13-43-26/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C27H19N3O7S2/c1-31-15-11-35-22(23(15)32-2)14-10-28-21(20-19(14)29-37-30-20)25-27(34-4)26(33-3)24(36-25)18-9-13-8-16-12(5-6-38-16)7-17(13)39-18/h5-11H,1-4H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2OC)sc(c3C)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3OC)scc4C)OC)s2)C)OC)s1)C	


key: CAN_SMILES
value:
  COc1c2c(C)c(sc2c(c2c1sc(c2C)c1nccc2c1nn(n2)C)OC)c1cnc(c2c1nn(n2)C)c1sc2c(c1C)c(OC)c1c(c2OC)c(C)cs1	


key: InChI
value:
  InChI=1S/C40H34N8O4S4/c1-15-14-53-37-21(15)30(49-7)38-23(31(37)50-8)17(3)36(56-38)29-27-25(44-48(6)46-27)19(13-42-29)34-16(2)22-32(51-9)40-24(33(52-10)39(22)54-34)18(4)35(55-40)28-26-20(11-12-41-28)43-47(5)45-26/h11-14H,1-10H3


key: InChI
value:
  InChI=1S/C29H23F2N5O7/c1-35-10-15(30)12-7-17-13(8-16(12)35)19(31)23(36(17)2)27-29(40-6)28(39-5)26(42-27)22-21-20(33-43-34-21)14(9-32-22)24-25(38-4)18(37-3)11-41-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O7S2/c1-35-12-20(44-7)14-9-18-15(10-17(14)35)31(45-8)24(36(18)2)28-30(40-6)29(39-5)27(42-28)23-22-21(33-43-34-22)16(11-32-23)25-26(38-4)19(37-3)13-41-25/h9-13H,1-8H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)sc(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3cc(c(c(c3)F)F)F)scc4F)c3cc(c(c(c3)F)F)F)s2)F)c2cc(c(c(c2)F)F)F)s1)F	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1sc2c(c1F)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(F)c(s1)c1nccc2c1nn(n2)C)c1sc2c(c1F)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(F)cs1	


key: InChI
value:
  InChI=1S/C56H18F16N8S4/c1-79-75-29-3-4-73-48(46(29)77-79)55-44(72)37-33(18-11-26(63)41(69)27(64)12-18)53-36(32(54(37)84-55)17-9-24(61)40(68)25(62)10-17)42(70)50(82-53)19-13-74-49(47-45(19)76-80(2)78-47)56-43(71)35-31(16-7-22(59)39(67)23(60)8-16)51-34(28(65)14-81-51)30(52(35)83-56)15-5-20(57)38(66)21(58)6-15/h3-14H,1-2H3


key: InChI
value:
  InChI=1S/C29H23N3O11/c1-33-17-10-39-15-8-13-16(7-12(15)17)41-28(22(13)35-3)29-27(38-6)26(37-5)25(42-29)21-20-19(31-43-32-20)14(9-30-21)23-24(36-4)18(34-2)11-40-23/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O9S2/c1-33-15-10-39-22(24(15)36-4)14-9-30-21(20-19(14)31-41-32-20)25-26(37-5)27(38-6)28(40-25)29-23(35-3)13-8-17-12(7-18(13)43-29)16(34-2)11-42-17/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O9S2/c1-12-11-44-30-16(12)23(37-5)31-17(24(30)38-6)13(2)29(45-31)28-27(40-8)26(39-7)25(42-28)20-19-18(33-43-34-19)14(9-32-20)21-22(36-4)15(35-3)10-41-21/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O11/c1-35-12-9-42-19(20(12)36-2)10-7-32-18(17-16(10)33-45-34-17)26-27(39-5)28(40-6)29(44-26)25-15(31)14-22(38-4)23-13(11(30)8-41-23)21(37-3)24(14)43-25/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O7S4/c1-33-15-10-37-22(23(15)34-2)14-9-30-21(20-19(14)31-39-32-20)24-25(35-3)26(36-4)27(38-24)29-28(41-6)13-8-16-12(7-17(13)43-29)18(40-5)11-42-16/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O11S2/c1-35-13-10-43-20(21(13)37-3)12-9-32-19(18-17(12)33-45-34-18)25-26(41-7)27(42-8)28(44-25)31-24(40-6)16-23(39-5)29-15(14(36-2)11-46-29)22(38-4)30(16)47-31/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27F2N5O9/c1-37-10-13(32)15-21(37)27(42-6)16-17(33)23(38(2)22(16)26(15)41-5)29-31(44-8)30(43-7)28(46-29)20-19-18(35-47-36-19)12(9-34-20)24-25(40-4)14(39-3)11-45-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O9S2/c1-35-12-8-41-19(20(12)36-2)10-7-32-18(17-16(10)33-43-34-17)23-24(39-5)25(40-6)26(42-23)29-15(31)14-22(38-4)27-13(11(30)9-44-27)21(37-3)28(14)45-29/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O11/c1-33-16-11-40-23(25(16)36-4)14-10-30-19(18-17(14)31-43-32-18)27-29(38-6)28(37-5)26(42-27)15-9-13-21(35-3)22-12(7-8-39-22)20(34-2)24(13)41-15/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O9S2/c1-33-15-11-39-20(23(15)36-4)14-10-30-19(18-17(14)31-41-32-18)25-27(38-6)26(37-5)24(40-25)16-9-13-22(35-3)28-12(7-8-42-28)21(34-2)29(13)43-16/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O9/c1-35-10-9-14-22(35)25(39-5)15-11-17(36(2)23(15)24(14)38-4)27-30(41-7)31(42-8)29(44-27)21-20-19(33-45-34-20)16(12-32-21)26-28(40-6)18(37-3)13-43-26/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O11/c1-37-12-15(39-3)17-22(37)28(43-7)18-23(27(17)42-6)38(2)24(29(18)44-8)31-33(46-10)32(45-9)30(48-31)21-20-19(35-49-36-20)14(11-34-21)25-26(41-5)16(40-4)13-47-25/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O11S2/c1-35-13-10-41-20(21(13)36-2)12-9-32-19(18-17(12)33-45-34-18)26-27(39-5)28(40-6)29(44-26)30-31(47-8)16-23(38-4)24-15(14(46-7)11-42-24)22(37-3)25(16)43-30/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O8S3/c1-35-11-8-41-21-13(11)15(30)22-14(16(21)31)23(38-4)26(42-22)29-25(40-6)24(39-5)28(44-29)19-18-17(33-45-34-18)10(7-32-19)27-20(37-3)12(36-2)9-43-27/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O13/c1-35-13-10-44-25-15(13)22(38-4)26-16(23(25)39-5)24(40-6)30(45-26)31-29(42-8)28(41-7)27(46-31)19-18-17(33-47-34-18)12(9-32-19)20-21(37-3)14(36-2)11-43-20/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O9S4/c1-35-13-10-41-20(21(13)36-2)12-9-32-19(18-17(12)33-43-34-18)24-25(39-5)26(40-6)27(42-24)31-30(45-8)16-23(38-4)28-15(14(44-7)11-46-28)22(37-3)29(16)47-31/h9-11H,1-8H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2OC)n(c(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3OC)n(cc4F)C)OC)n2C)F)C)OC)n1C)F	


key: CAN_SMILES
value:
  COc1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1nn(n2)C)OC)C)c1cnc(c2c1nn(n2)C)c1c(F)c2c(n1C)c(OC)c1c(c2OC)n(C)cc1F	


key: InChI
value:
  InChI=1S/C40H34F4N12O4/c1-51-14-16(41)18-31(51)38(58-8)20-23(43)36(53(3)32(20)37(18)57-7)29-27-25(48-56(6)50-27)15(13-46-29)30-22(42)19-33(52(30)2)40(60-10)21-24(44)35(54(4)34(21)39(19)59-9)28-26-17(11-12-45-28)47-55(5)49-26/h11-14H,1-10H3


key: InChI
value:
  InChI=1S/C29H23N3O7S4/c1-33-15-11-37-20(21(15)34-2)14-10-30-19(18-17(14)31-39-32-18)23-25(36-4)24(35-3)22(38-23)16-9-13-27(41-6)28-12(7-8-42-28)26(40-5)29(13)43-16/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3O6S5/c1-35-11-8-42-25-13(11)15(30)26-14(16(25)31)21(38-4)28(43-26)29-23(40-6)22(39-5)27(44-29)19-18-17(33-45-34-18)10(7-32-19)24-20(37-3)12(36-2)9-41-24/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H27F2N5O7S2/c1-37-10-13(32)15-21(37)31(47-8)16-17(33)23(38(2)22(16)30(15)46-7)27-29(42-6)28(41-5)26(44-27)20-19-18(35-45-36-19)12(9-34-20)24-25(40-4)14(39-3)11-43-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O7S4/c1-35-12-8-39-19(20(12)36-2)10-7-32-18(17-16(10)33-41-34-17)21-22(37-3)23(38-4)24(40-21)29-15(31)14-26(43-6)27-13(11(30)9-44-27)25(42-5)28(14)45-29/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O9S2/c1-33-16-11-38-20(23(16)34-2)14-10-30-19(18-17(14)31-41-32-18)25-27(36-4)26(35-3)24(40-25)15-9-13-22(39-15)28(42-5)12-7-8-37-21(12)29(13)43-6/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3O9S2/c1-35-12-9-40-19(20(12)36-2)10-7-32-18(17-16(10)33-43-34-17)24-25(37-3)26(38-4)27(42-24)23-15(31)14-22(41-23)28(44-5)13-11(30)8-39-21(13)29(14)45-6/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C33H33N5O9S2/c1-37-12-15(39-3)17-22(37)33(49-10)18-23(32(17)48-9)38(2)24(27(18)42-6)29-31(44-8)30(43-7)28(46-29)21-20-19(35-47-36-20)14(11-34-21)25-26(41-5)16(40-4)13-45-25/h11-13H,1-10H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2s1)SC)c(c(c1nccc2c1nn(n2)C)s3)OC)SC)OC)c1c(c2c(c(c3c(c2SC)scc3OC)SC)s1)OC	


key: CAN_SMILES
value:
  COc1c(sc2c1c(SC)c1c(c2SC)c(c(s1)c1nccc2c1nn(n2)C)OC)c1cnc(c2c1nn(n2)C)c1sc2c(c1OC)c(SC)c1c(c2SC)c(OC)cs1	


key: InChI
value:
  InChI=1S/C40H34N8O4S8/c1-47-43-16-11-12-41-25(23(16)45-47)39-29(52-6)21-34(56-10)37-19(33(55-9)38(21)60-39)27(50-4)30(58-37)15-13-42-26(24-22(15)44-48(2)46-24)40-28(51-5)20-32(54-8)35-18(17(49-3)14-57-35)31(53-7)36(20)59-40/h11-14H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O7S4/c1-12-11-44-30-16(12)28(42-7)31-17(29(30)43-8)13(2)27(45-31)26-25(38-6)24(37-5)23(40-26)20-19-18(33-41-34-19)14(9-32-20)21-22(36-4)15(35-3)10-39-21/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O7S6/c1-35-13-10-39-20(21(13)36-2)12-9-32-19(18-17(12)33-41-34-18)22-23(37-3)24(38-4)25(40-22)31-28(45-8)16-27(44-7)29-15(14(42-5)11-46-29)26(43-6)30(16)47-31/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H29N5O4S3/c1-14-9-10-33(3)22(14)23-15(2)11-17(34(23)4)28-25(37-7)26(38-8)29(40-28)21-20-19(31-41-32-20)16(12-30-21)27-24(36-6)18(35-5)13-39-27/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O11S2/c1-35-13-10-42-23-15(13)30(46-7)24-16(31(23)47-8)22(38-4)28(43-24)29-27(40-6)26(39-5)25(44-29)19-18-17(33-45-34-18)12(9-32-19)20-21(37-3)14(36-2)11-41-20/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O9S4/c1-35-13-10-41-20(21(13)37-3)12-9-32-19(18-17(12)33-43-34-18)23-24(39-5)25(40-6)26(42-23)31-22(38-4)16-28(45-8)29-15(14(36-2)11-46-29)27(44-7)30(16)47-31/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O6S5/c1-35-11-9-43-26(20(11)36-2)10-7-32-19(18-17(10)33-45-34-18)28-23(37-3)24(38-4)29(44-28)25-27(42-6)14-16(31)21-13(12(41-5)8-39-21)15(30)22(14)40-25/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O6S5/c1-33-17-11-41-27(22(17)34-2)14-9-30-21(20-19(14)31-43-32-20)28-23(35-3)24(36-4)29(42-28)25-26(40-6)13-8-15-12(7-16(13)38-25)18(39-5)10-37-15/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O9S4/c1-35-13-10-39-20(21(13)36-2)12-9-32-19(18-17(12)33-43-34-18)24-25(37-3)26(38-4)27(42-24)28-31(47-8)16-23(41-28)29(45-6)15-14(44-5)11-40-22(15)30(16)46-7/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O4S7/c1-35-11-8-41-23(20(11)36-2)10-7-32-19(18-17(10)33-45-34-18)27-21(37-3)22(38-4)28(44-27)29-26(40-6)14-16(31)24-13(12(39-5)9-42-24)15(30)25(14)43-29/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H17F2N3O6S3/c1-33-16-9-39-25(21(16)34-2)12-7-30-20(19-18(12)31-41-32-19)26-23(35-3)24(36-4)27(40-26)22-17(29)11-6-14-10(5-15(11)38-22)13(28)8-37-14/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C31H29N5O4S3/c1-14-12-35(3)19-10-17-15(2)25(36(4)20(17)9-16(14)19)31-28(40-8)27(39-7)30(42-31)24-23-22(33-43-34-23)18(11-32-24)29-26(38-6)21(37-5)13-41-29/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O6S3/c1-12-10-37-17-8-15-13(2)23(38-18(15)7-14(12)17)29-26(36-6)25(35-5)28(40-29)22-21-20(31-41-32-21)16(9-30-22)27-24(34-4)19(33-3)11-39-27/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23F2N5O4S3/c1-35-10-15(30)12-7-17-13(8-16(12)35)19(31)23(36(17)2)29-26(40-6)25(39-5)28(42-29)22-21-20(33-43-34-21)14(9-32-22)27-24(38-4)18(37-3)11-41-27/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O4S5/c1-12-10-37-18-8-15-13(2)26(39-19(15)7-14(12)18)29-25(36-6)24(35-5)28(40-29)22-21-20(31-41-32-21)16(9-30-22)27-23(34-4)17(33-3)11-38-27/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H17F2N3O4S5/c1-33-14-9-38-24(21(14)34-2)12-7-30-20(19-18(12)31-41-32-19)26-22(35-3)23(36-4)27(40-26)25-17(29)11-6-15-10(5-16(11)39-25)13(28)8-37-15/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H23N3O6S5/c1-33-15-10-39-17-8-13-18(7-12(15)17)41-28(22(13)35-3)29-25(38-6)24(37-5)27(42-29)21-20-19(31-43-32-20)14(9-30-21)26-23(36-4)16(34-2)11-40-26/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O4S5/c1-35-12-20(41-7)14-9-18-15(10-17(14)35)28(42-8)24(36(18)2)31-27(40-6)26(39-5)30(44-31)23-22-21(33-45-34-22)16(11-32-23)29-25(38-4)19(37-3)13-43-29/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O8S3/c1-33-17-10-39-15-8-13-16(7-12(15)17)40-26(22(13)35-3)29-25(38-6)24(37-5)28(42-29)21-20-19(31-43-32-20)14(9-30-21)27-23(36-4)18(34-2)11-41-27/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O4S7/c1-33-15-10-40-25(22(15)34-2)14-9-30-21(20-19(14)31-43-32-20)27-23(35-3)24(36-4)28(42-27)29-26(38-6)13-8-16-12(7-17(13)41-29)18(37-5)11-39-16/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O6S3/c1-35-10-9-14-22(35)25(39-5)15-11-17(36(2)23(15)24(14)38-4)30-27(41-7)28(42-8)31(44-30)21-20-19(33-45-34-20)16(12-32-21)29-26(40-6)18(37-3)13-43-29/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C31H27F2N5O6S3/c1-37-10-13(32)15-21(37)26(42-6)16-17(33)23(38(2)22(16)25(15)41-5)31-28(44-8)27(43-7)30(46-31)20-19-18(35-47-36-19)12(9-34-20)29-24(40-4)14(39-3)11-45-29/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O6S5/c1-35-12-9-42-24(19(12)36-2)10-7-32-18(17-16(10)33-45-34-17)28-22(39-5)23(40-6)29(44-28)27-15(31)14-21(38-4)25-13(11(30)8-41-25)20(37-3)26(14)43-27/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O8S3/c1-33-16-11-41-27(24(16)36-4)14-10-30-19(18-17(14)31-43-32-18)29-26(38-6)25(37-5)28(42-29)15-9-13-21(35-3)22-12(7-8-39-22)20(34-2)23(13)40-15/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O4S3/c1-14-16-9-10-35(3)24(16)15(2)17-11-19(36(4)25(14)17)30-27(39-7)28(40-8)31(42-30)23-22-21(33-43-34-22)18(12-32-23)29-26(38-6)20(37-5)13-41-29/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O4S5/c1-12-14-7-8-37-25(14)13(2)15-9-18(39-26(12)15)28-23(35-5)24(36-6)29(40-28)21-20-19(31-41-32-20)16(10-30-21)27-22(34-4)17(33-3)11-38-27/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C26H12Ge2N6O6/c1-3-29-20(19-14(1)31-39-33-19)16-7-13-26(38-16)25-11(28-13)5-15(36-25)9-8-30-21(22-18(9)32-40-34-22)17-6-12-24(37-17)23-10(27-12)2-4-35-23/h1-8H,27-28H2


key: InChI
value:
  InChI=1S/C32H32N6O4S2/c1-15-17-10-11-43-31(17)16(2)18-12-21(44-32(15)18)26-29(41-8)30(42-9)27(37(26)4)24-23-22(34-38(5)35-23)19(13-33-24)25-28(40-7)20(39-6)14-36(25)3/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C36H42N8O6/c1-17-22-20(45-8)15-40(3)27(22)18(2)23-28(17)42(5)31(34(23)48-11)32-36(50-13)35(49-12)30(43(32)6)26-25-24(38-44(7)39-25)19(14-37-26)29-33(47-10)21(46-9)16-41(29)4/h14-16H,1-13H3


key: InChI
value:
  InChI=1S/C34H36N6O8/c1-15-20-19(42-7)14-47-28(20)16(2)21-29(15)48-34(31(21)44-9)27-33(46-11)32(45-10)26(39(27)4)24-23-22(36-40(5)37-23)17(12-35-24)25-30(43-8)18(41-6)13-38(25)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C34H36N6O6S2/c1-15-20-19(42-7)14-47-32(20)16(2)21-29(44-9)34(48-33(15)21)27-31(46-11)30(45-10)26(39(27)4)24-23-22(36-40(5)37-23)17(12-35-24)25-28(43-8)18(41-6)13-38(25)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C34H36F2N8O4/c1-15-13-40(3)28-19(15)21(35)29-20(22(28)36)16(2)26(42(29)5)31-34(48-11)33(47-10)30(43(31)6)25-24-23(38-44(7)39-24)17(12-37-25)27-32(46-9)18(45-8)14-41(27)4/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C30H26F2N6O6/c1-36-12-17(39-4)28(40-5)23(36)15-11-33-22(21-20(15)34-38(3)35-21)25-30(42-7)29(41-6)24(37(25)2)16-10-14-19(32)26-13(8-9-43-26)18(31)27(14)44-16/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C34H36F2N8O6/c1-40-14-17(46-7)31(47-8)25(40)15-12-37-24(23-22(15)38-44(5)39-23)28-33(49-10)34(50-11)30(43(28)4)29-32(48-9)19-21(36)26-18(16(45-6)13-41(26)2)20(35)27(19)42(29)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C34H36N6O4S4/c1-15-20-19(45-10)14-47-31(20)16(2)21-32(15)48-34(33(21)46-11)27-30(44-9)29(43-8)26(39(27)4)24-23-22(36-40(5)37-23)17(12-35-24)25-28(42-7)18(41-6)13-38(25)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C36H42N8O4S2/c1-17-22-21(49-12)16-41(4)27(22)18(2)23-28(17)42(5)32(36(23)50-13)31-35(48-11)34(47-10)30(43(31)6)26-25-24(38-44(7)39-25)19(14-37-26)29-33(46-9)20(45-8)15-40(29)3/h14-16H,1-13H3


key: InChI
value:
  InChI=1S/C30H24F4N6O6/c1-38-9-13(41-4)25(42-5)22(38)11-8-35-21(20-19(11)36-40(3)37-20)23-29(43-6)30(44-7)24(39(23)2)28-18(34)15-17(33)26-14(12(31)10-45-26)16(32)27(15)46-28/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C30H24F4N6O4S2/c1-38-9-13(41-4)25(42-5)22(38)11-8-35-21(20-19(11)36-40(3)37-20)23-26(43-6)27(44-7)24(39(23)2)30-18(34)15-17(33)28-14(12(31)10-45-28)16(32)29(15)46-30/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C32H30F2N6O6/c1-13-12-45-29-17(13)19(33)30-18(20(29)34)14(2)27(46-30)26-32(44-9)31(43-8)25(39(26)4)23-22-21(36-40(5)37-22)15(10-35-23)24-28(42-7)16(41-6)11-38(24)3/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C32H32F2N8O4/c1-38-11-10-15-20(33)26-16(21(34)25(15)38)12-18(40(26)3)28-31(45-8)32(46-9)29(41(28)4)24-23-22(36-42(5)37-23)17(13-35-24)27-30(44-7)19(43-6)14-39(27)2/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C32H30F2N6O4S2/c1-13-12-45-31-17(13)19(33)32-18(20(31)34)14(2)30(46-32)26-29(44-9)28(43-8)25(39(26)4)23-22-21(36-40(5)37-22)15(10-35-23)24-27(42-7)16(41-6)11-38(24)3/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C34H36N6O6S2/c1-15-20-19(47-10)14-45-28(20)16(2)21-29(15)46-33(34(21)48-11)27-32(44-9)31(43-8)26(39(27)4)24-23-22(36-40(5)37-23)17(12-35-24)25-30(42-7)18(41-6)13-38(25)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C30H26F2N6O4S2/c1-36-12-16(39-4)26(40-5)23(36)15-11-33-22(21-20(15)34-38(3)35-21)25-28(42-7)27(41-6)24(37(25)2)17-10-14-19(32)29-13(8-9-43-29)18(31)30(14)44-17/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C29H25N5O4S3/c1-33-8-7-14-9-18-15(10-17(14)33)11-19(34(18)2)28-25(37-5)26(38-6)29(40-28)23-22-21(31-41-32-22)16(12-30-23)27-24(36-4)20(35-3)13-39-27/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3O4S5/c1-10-15-13(30)8-39-24(15)11(2)16-17(31)27(41-25(10)16)29-23(38-6)22(37-5)28(42-29)20-19-18(33-43-34-19)12(7-32-20)26-21(36-4)14(35-3)9-40-26/h7-9H,1-6H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nn(n2)C)o3)F)c1cc(c(c(c1)F)F)F)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3F)c2cc(c(c(c2)F)F)F)o1)F	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1oc2c(c1F)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(F)c(o1)c1nccc2c1nn(n2)C)c1oc2c(c1F)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(F)co1	


key: InChI
value:
  InChI=1S/C56H18F16N8O4/c1-79-75-29-3-4-73-48(46(29)77-79)55-44(72)37-33(18-11-26(63)41(69)27(64)12-18)53-36(32(54(37)84-55)17-9-24(61)40(68)25(62)10-17)42(70)50(82-53)19-13-74-49(47-45(19)76-80(2)78-47)56-43(71)35-31(16-7-22(59)39(67)23(60)8-16)51-34(28(65)14-81-51)30(52(35)83-56)15-5-20(57)38(66)21(58)6-15/h3-14H,1-2H3


key: InChI
value:
  InChI=1S/C32H30F2N6O8/c1-38-11-14(41-4)26(43-6)23(38)13-10-35-22(21-20(13)36-40(3)37-21)24-30(45-8)31(46-9)25(39(24)2)32-29(44-7)17-19(34)27-16(15(42-5)12-47-27)18(33)28(17)48-32/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C32H30F2N6O6S2/c1-38-11-14(41-4)26(43-6)23(38)13-10-35-22(21-20(13)36-40(3)37-21)24-28(45-8)29(46-9)25(39(24)2)32-27(44-7)17-19(34)30-16(15(42-5)12-47-30)18(33)31(17)48-32/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C34H36F2N8O4S2/c1-40-13-16(45-6)31(46-7)25(40)15-12-37-24(23-22(15)38-44(5)39-23)28-32(47-8)33(48-9)29(43(28)4)30-34(50-11)19-21(36)26-18(17(49-10)14-41(26)2)20(35)27(19)42(30)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C32H30F2N6O4S4/c1-38-11-14(41-4)26(42-5)23(38)13-10-35-22(21-20(13)36-40(3)37-21)24-27(43-6)28(44-7)25(39(24)2)32-31(46-9)17-19(34)29-16(15(45-8)12-47-29)18(33)30(17)48-32/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C32H32N6O6S2/c1-36-13-20(39-4)28(40-5)25(36)17-12-33-24(23-22(17)34-38(3)35-23)26-29(41-6)30(42-7)27(37(26)2)31-32(46-9)16-11-18-15(10-19(16)44-31)21(45-8)14-43-18/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C32H32N6O4S4/c1-36-13-18(39-4)28(40-5)25(36)17-12-33-24(23-22(17)34-38(3)35-23)26-29(41-6)30(42-7)27(37(26)2)32-31(44-9)16-11-19-15(10-20(16)46-32)21(43-8)14-45-19/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C34H36N6O8/c1-15-14-47-31-19(15)29(43-8)32-20(30(31)44-9)16(2)27(48-32)26-34(46-11)33(45-10)25(39(26)4)23-22-21(36-40(5)37-22)17(12-35-23)24-28(42-7)18(41-6)13-38(24)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C29H29N5O3S4/c1-14-9-10-33(3)22(14)23-15(2)11-17(34(23)4)25-28(40-7)29(41-8)26(36-25)21-20-19(31-37-32-20)16(12-30-21)24-27(39-6)18(38-5)13-35-24/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C34H36F2N8O6/c1-40-13-16(35)18-25(40)32(48-9)19-20(36)27(42(3)26(19)31(18)47-8)29-34(50-11)33(49-10)28(43(29)4)23-22-21(38-44(5)39-22)15(12-37-23)24-30(46-7)17(45-6)14-41(24)2/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C32H30F2N6O8/c1-38-11-15(41-4)25(42-5)22(38)13-10-35-21(20-19(13)36-40(3)37-20)23-31(45-8)32(46-9)24(39(23)2)30-18(34)17-27(44-7)28-16(14(33)12-47-28)26(43-6)29(17)48-30/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C34H36F2N8O4S2/c1-40-13-16(35)18-25(40)34(50-11)19-20(36)27(42(3)26(19)33(18)49-10)29-32(48-9)31(47-8)28(43(29)4)23-22-21(38-44(5)39-22)15(12-37-23)24-30(46-7)17(45-6)14-41(24)2/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C36H42N8O6S2/c1-40-16-19(46-7)31(47-8)25(40)17-14-37-24(23-22(17)38-44(5)39-23)28-33(49-10)34(50-11)30(43(28)4)29-32(48-9)21-27(42(29)3)35(51-12)20-18(45-6)15-41(2)26(20)36(21)52-13/h14-16H,1-13H3


key: InChI
value:
  InChI=1S/C36H42N8O4S4/c1-40-15-18(45-6)31(46-7)25(40)17-14-37-24(23-22(17)38-44(5)39-23)28-32(47-8)33(48-9)29(43(28)4)30-36(52-13)21-27(42(30)3)34(50-11)20-19(49-10)16-41(2)26(20)35(21)51-12/h14-16H,1-13H3


key: InChI
value:
  InChI=1S/C31H27F2N5O7/c1-12-17-15(32)10-37(3)23(17)13(2)18-19(33)25(38(4)24(12)18)29-31(42-8)30(41-7)28(44-29)22-21-20(35-45-36-21)14(9-34-22)26-27(40-6)16(39-5)11-43-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O7S2/c1-10-15-13(30)9-42-27(15)11(2)16-17(31)29(43-28(10)16)26-25(38-6)24(37-5)23(40-26)20-19-18(33-41-34-19)12(7-32-20)21-22(36-4)14(35-3)8-39-21/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O7/c1-14-16-9-10-35(3)24(16)15(2)17-11-19(36(4)25(14)17)27-30(39-7)31(40-8)29(42-27)23-22-21(33-43-34-22)18(12-32-23)26-28(38-6)20(37-5)13-41-26/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O7S2/c1-12-14-7-8-40-28(14)13(2)15-9-18(41-29(12)15)24-26(35-5)27(36-6)25(38-24)21-20-19(31-39-32-20)16(10-30-21)22-23(34-4)17(33-3)11-37-22/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O9S2/c1-12-17-16(36-4)11-44-29(17)13(2)18-24(38-6)31(45-30(12)18)28-27(40-8)26(39-7)25(42-28)21-20-19(33-43-34-20)14(9-32-21)22-23(37-5)15(35-3)10-41-22/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O9S2/c1-12-17-16(44-7)11-40-22(17)13(2)18-23(12)41-30(31(18)45-8)29-28(38-6)27(37-5)26(42-29)21-20-19(33-43-34-20)14(9-32-21)24-25(36-4)15(35-3)10-39-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C27H19N3O6S3/c1-31-18-11-37-25(22(18)32-2)14-10-28-21(20-19(14)29-39-30-20)27-24(34-4)23(33-3)26(38-27)17-9-13-8-15-12(5-6-35-15)7-16(13)36-17/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H17F2N3O7S2/c1-33-14-8-37-21(22(14)34-2)12-7-30-20(19-18(12)31-39-32-19)23-24(35-3)25(36-4)26(38-23)27-17(29)11-6-15-10(5-16(11)41-27)13(28)9-40-15/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O9/c1-31-18-11-36-22(23(18)32-2)14-10-28-21(20-19(14)29-39-30-20)25-27(34-4)26(33-3)24(38-25)17-9-13-8-15-12(5-6-35-15)7-16(13)37-17/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C31H27F2N5O4S5/c1-37-10-14(43-7)15-17(32)23-16(18(33)22(15)37)29(44-8)24(38(23)2)31-27(42-6)26(41-5)30(46-31)21-20-19(35-47-36-20)12(9-34-21)28-25(40-4)13(39-3)11-45-28/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O8S3/c1-35-12-9-43-27(19(12)36-2)10-7-32-18(17-16(10)33-45-34-17)28-25(39-5)26(40-6)29(44-28)24-15(31)14-21(38-4)22-13(11(30)8-41-22)20(37-3)23(14)42-24/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C33H33N5O9/c1-14-12-37(3)24-18(14)28(41-7)25-19(29(24)42-8)15(2)23(38(25)4)31-33(44-10)32(43-9)30(46-31)22-21-20(35-47-36-21)16(11-34-22)26-27(40-6)17(39-5)13-45-26/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O11/c1-12-10-41-26-16(12)24(37-5)27-17(25(26)38-6)13(2)21(43-27)31-30(40-8)29(39-7)28(44-31)20-19-18(33-45-34-19)14(9-32-20)22-23(36-4)15(35-3)11-42-22/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O9S2/c1-37-12-16(48-9)17-22(37)28(42-6)18-23(27(17)41-5)38(2)24(33(18)49-10)30-32(44-8)31(43-7)29(46-30)21-20-19(35-47-36-20)14(11-34-21)25-26(40-4)15(39-3)13-45-25/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C33H33N5O7S2/c1-14-12-37(3)24-18(14)32(46-9)25-19(33(24)47-10)15(2)23(38(25)4)29-31(42-8)30(41-7)28(44-29)22-21-20(35-45-36-21)16(11-34-22)26-27(40-6)17(39-5)13-43-26/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O9S2/c1-12-10-39-24-16(12)30(44-7)25-17(31(24)45-8)13(2)21(41-25)29-28(38-6)27(37-5)26(42-29)20-19-18(33-43-34-19)14(9-32-20)22-23(36-4)15(35-3)11-40-22/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H29N5O7S2/c1-35-10-9-14-22(35)31(45-8)15-11-17(36(2)23(15)30(14)44-7)25-28(39-5)29(40-6)27(42-25)21-20-19(33-43-34-20)16(12-32-21)24-26(38-4)18(37-3)13-41-24/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O7S4/c1-37-12-16(46-7)17-22(37)32(48-9)18-23(31(17)47-8)38(2)24(33(18)49-10)28-30(42-6)29(41-5)27(44-28)21-20-19(35-45-36-20)14(11-34-21)25-26(40-4)15(39-3)13-43-25/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C27H19N3O4S5/c1-31-15-11-36-25(22(15)32-2)14-10-28-21(20-19(14)29-39-30-20)27-24(34-4)23(33-3)26(38-27)18-9-13-8-16-12(5-6-35-16)7-17(13)37-18/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C31H27N3O8S3/c1-12-10-41-25-16(12)23(37-5)26-17(24(25)38-6)13(2)21(42-26)31-28(40-8)27(39-7)30(44-31)20-19-18(33-45-34-19)14(9-32-20)29-22(36-4)15(35-3)11-43-29/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O8S3/c1-37-12-15(39-3)17-22(37)27(43-7)18-23(26(17)42-6)38(2)24(28(18)44-8)33-30(46-10)29(45-9)32(48-33)21-20-19(35-49-36-20)14(11-34-21)31-25(41-5)16(40-4)13-47-31/h11-13H,1-10H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1cc2c(c(c3c(c2c2ccccc2)oc(c3)c2cnc(c3c2nn(n3)C)c2cc3c(c(c4c(c3c3ccccc3)occ4)c3ccccc3)o2)c2ccccc2)o1	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1cc2c(o1)c(c1ccccc1)c1c(c2c2ccccc2)oc(c1)c1nccc2c1nn(n2)C)c1cc2c(o1)c(c1ccccc1)c1c(c2c2ccccc2)occ1	


key: InChI
value:
  InChI=1S/C56H34N8O4/c1-63-59-40-23-25-57-50(49(40)61-63)42-29-38-47(34-21-13-6-14-22-34)55-36(46(56(38)67-42)33-19-11-5-12-20-33)27-41(66-55)39-30-58-51(52-48(39)60-64(2)62-52)43-28-37-45(32-17-9-4-10-18-32)53-35(24-26-65-53)44(54(37)68-43)31-15-7-3-8-16-31/h3-30H,1-2H3


key: InChI
value:
  InChI=1S/C29H23N3O6S5/c1-33-15-11-40-26(22(15)36-4)14-10-30-19(18-17(14)31-43-32-18)29-24(38-6)23(37-5)28(42-29)16-9-13-21(35-3)25-12(7-8-39-25)20(34-2)27(13)41-16/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O10S3/c1-35-13-10-43-24-15(13)21(38-4)25-16(22(24)39-5)23(40-6)28(44-25)31-27(42-8)26(41-7)30(46-31)19-18-17(33-47-34-18)12(9-32-19)29-20(37-3)14(36-2)11-45-29/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O8S5/c1-35-13-10-44-27-15(13)21(38-4)28-16(22(27)39-5)23(40-6)30(45-28)31-25(42-8)24(41-7)29(46-31)19-18-17(33-47-34-18)12(9-32-19)26-20(37-3)14(36-2)11-43-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O6S5/c1-37-12-16(45-9)17-22(37)27(42-6)18-23(26(17)41-5)38(2)24(31(18)46-10)33-29(44-8)28(43-7)32(48-33)21-20-19(35-49-36-20)14(11-34-21)30-25(40-4)15(39-3)13-47-30/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C33H33N5O4S5/c1-14-12-37(3)24-18(14)30(43-9)25-19(31(24)44-10)15(2)23(38(25)4)33-28(42-8)27(41-7)32(46-33)22-21-20(35-47-36-21)16(11-34-22)29-26(40-6)17(39-5)13-45-29/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O6S7/c1-35-13-10-43-25(20(13)36-2)12-9-32-19(18-17(12)33-47-34-18)29-23(39-5)24(40-6)30(46-29)31-28(42-8)16-22(38-4)26-15(14(41-7)11-44-26)21(37-3)27(16)45-31/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O6S5/c1-37-12-15(39-3)17-22(37)31(46-10)18-23(30(17)45-9)38(2)24(26(18)42-6)33-28(44-8)27(43-7)32(48-33)21-20-19(35-49-36-20)14(11-34-21)29-25(41-5)16(40-4)13-47-29/h11-13H,1-10H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1cc2c(c(c3c(c2c2ccccc2)sc(c3)c2cnc(c3c2nn(n3)C)c2cc3c(c(c4c(c3c3ccccc3)scc4)c3ccccc3)s2)c2ccccc2)s1	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1cc2c(s1)c(c1ccccc1)c1c(c2c2ccccc2)sc(c1)c1nccc2c1nn(n2)C)c1cc2c(s1)c(c1ccccc1)c1c(c2c2ccccc2)scc1	


key: InChI
value:
  InChI=1S/C56H34N8S4/c1-63-59-40-23-25-57-50(49(40)61-63)42-29-38-47(34-21-13-6-14-22-34)55-36(46(56(38)67-42)33-19-11-5-12-20-33)27-41(66-55)39-30-58-51(52-48(39)60-64(2)62-52)43-28-37-45(32-17-9-4-10-18-32)53-35(24-26-65-53)44(54(37)68-43)31-15-7-3-8-16-31/h3-30H,1-2H3


key: InChI
value:
  InChI=1S/C29H21F2N3O6S5/c1-35-12-9-43-25(19(12)36-2)10-7-32-18(17-16(10)33-45-34-17)28-23(37-3)24(38-4)29(44-28)22-15(31)14-21(40-22)26(41-5)13-11(30)8-39-20(13)27(14)42-6/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O6S5/c1-33-16-11-41-27(22(16)34-2)14-10-30-19(18-17(14)31-43-32-18)29-24(36-4)23(35-3)28(42-29)15-9-13-21(38-15)25(39-5)12-7-8-37-20(12)26(13)40-6/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O8S5/c1-35-13-10-41-22-15(13)28(43-7)23-16(29(22)44-8)21(38-4)26(42-23)31-25(40-6)24(39-5)30(46-31)19-18-17(33-47-34-18)12(9-32-19)27-20(37-3)14(36-2)11-45-27/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O4S7/c1-33-15-11-40-23(20(15)34-2)14-10-30-19(18-17(14)31-43-32-18)29-22(36-4)21(35-3)28(42-29)16-9-13-25(38-6)26-12(7-8-39-26)24(37-5)27(13)41-16/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H23N3O5S6/c1-36-14-7-8-31-22(14)23-15(37-2)9-13(33-23)21-26(40-5)27(41-6)24(34-21)19-18-17(29-35-30-18)12(10-28-19)20-25(39-4)16(38-3)11-32-20/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3O4S7/c1-35-12-9-42-22(19(12)36-2)10-7-32-18(17-16(10)33-45-34-17)28-20(37-3)21(38-4)29(44-28)27-15(31)14-24(40-6)25-13(11(30)8-41-25)23(39-5)26(14)43-27/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O6S7/c1-35-13-10-44-27-15(13)25(41-7)28-16(26(27)42-8)21(38-4)30(45-28)31-23(40-6)22(39-5)29(46-31)19-18-17(33-47-34-18)12(9-32-19)24-20(37-3)14(36-2)11-43-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O4S7/c1-37-12-16(43-7)17-22(37)30(45-9)18-23(29(17)44-8)38(2)24(31(18)46-10)33-27(42-6)26(41-5)32(48-33)21-20-19(35-49-36-20)14(11-34-21)28-25(40-4)15(39-3)13-47-28/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O6S7/c1-35-13-11-45-26(20(13)36-2)12-9-32-19(18-17(12)33-47-34-18)30-23(37-3)24(38-4)31(46-30)25-29(44-8)16-22(40-25)27(42-6)15-14(41-5)10-39-21(15)28(16)43-7/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C32H38N8S4/c1-17-12-13-36(3)25(17)26-18(2)14-20(38(26)5)28-31(43-10)32(44-11)29(39(28)6)24-23-22(34-40(7)35-23)19(15-33-24)27-30(42-9)21(41-8)16-37(27)4/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C30H32N6O2S4/c1-15-10-11-37-26(15)27-16(2)12-18(38-27)24-29(41-8)30(42-9)25(35(24)4)22-21-20(32-36(5)33-21)17(13-31-22)23-28(40-7)19(39-6)14-34(23)3/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C27H23N3O5S4/c1-12-7-8-31-20(12)21-13(2)9-15(33-21)23-26(38-5)27(39-6)24(34-23)19-18-17(29-35-30-18)14(10-28-19)22-25(37-4)16(36-3)11-32-22/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C30H32N6S6/c1-15-10-11-41-26(15)27-16(2)12-18(42-27)24-29(39-8)30(40-9)25(35(24)4)22-21-20(32-36(5)33-21)17(13-31-22)23-28(38-7)19(37-6)14-34(23)3/h10-14H,1-9H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nn(n2)C)o3)OC)c1cc(c(c(c1)F)F)F)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3OC)c2cc(c(c(c2)F)F)F)o1)OC	


key: CAN_SMILES
value:
  COc1c(oc2c1c(c1cc(F)c(c(c1)F)F)c1oc(c(c1c2c1cc(F)c(c(c1)F)F)OC)c1nccc2c1nn(n2)C)c1cnc(c2c1nn(n2)C)c1oc2c(c1OC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(OC)co1	


key: InChI
value:
  InChI=1S/C60H30F12N8O8/c1-79-75-32-7-8-73-49(47(32)77-79)59-58(84-6)41-37(22-15-30(67)45(72)31(68)16-22)54-40(36(55(41)88-59)21-13-28(65)44(71)29(66)14-21)56(82-4)51(86-54)23-17-74-50(48-46(23)76-80(2)78-48)60-57(83-5)39-35(20-11-26(63)43(70)27(64)12-20)52-38(33(81-3)18-85-52)34(53(39)87-60)19-9-24(61)42(69)25(62)10-19/h7-18H,1-6H3


key: InChI
value:
  InChI=1S/C28H28N6O2S4/c1-32-14-19(37-4)26(38-5)23(32)15-13-29-22(21-20(15)30-34(3)31-21)25-28(40-7)27(39-6)24(33(25)2)18-11-10-17(36-18)16-9-8-12-35-16/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C28H26F2N6S6/c1-34-12-17(37-4)26(38-5)21(34)13-11-31-20(19-18(13)32-36(3)33-19)23-28(40-7)27(39-6)22(35(23)2)16-10-15(30)25(42-16)24-14(29)8-9-41-24/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C28H28N6S6/c1-32-14-19(35-4)26(36-5)23(32)15-13-29-22(21-20(15)30-34(3)31-21)25-28(38-7)27(37-6)24(33(25)2)18-11-10-17(40-18)16-9-8-12-39-16/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C30H34N8S4/c1-34-14-10-11-18(34)19-12-13-20(36(19)3)26-29(41-8)30(42-9)27(37(26)4)24-23-22(32-38(5)33-23)17(15-31-24)25-28(40-7)21(39-6)16-35(25)2/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C32H38N8O2S4/c1-36-13-12-19(41-6)27(36)28-20(42-7)14-18(38(28)3)26-31(45-10)32(46-11)29(39(26)4)24-23-22(34-40(5)35-23)17(15-33-24)25-30(44-9)21(43-8)16-37(25)2/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C30H32N6O4S4/c1-34-14-19(41-6)28(42-7)23(34)15-13-31-22(21-20(15)32-36(3)33-21)25-30(44-9)29(43-8)24(35(25)2)17-12-18(38-5)27(40-17)26-16(37-4)10-11-39-26/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C30H32N6O2S6/c1-34-14-19(39-6)28(40-7)23(34)15-13-31-22(21-20(15)32-36(3)33-21)25-30(42-9)29(41-8)24(35(25)2)18-12-17(38-5)27(44-18)26-16(37-4)10-11-43-26/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C30H32N6O2S6/c1-34-14-19(41-6)28(42-7)23(34)15-13-31-22(21-20(15)32-36(3)33-21)25-30(44-9)29(43-8)24(35(25)2)16-12-18(40-5)27(38-16)26-17(39-4)10-11-37-26/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C25H19N3O3S6/c1-32-16-11-29-20(23(16)33-2)12-10-26-19(18-17(12)27-31-28-18)22-25(35-4)24(34-3)21(30-22)15-8-7-14(37-15)13-6-5-9-36-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C32H30F2N6S6/c1-13-18-16(33)12-45-27(18)14(2)19-20(34)30(46-28(13)19)26-32(44-9)31(43-8)25(39(26)4)23-22-21(36-40(5)37-22)15(10-35-23)24-29(42-7)17(41-6)11-38(24)3/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C34H36N6S6/c1-15-14-45-29-17(3)22-18(4)31(46-30(22)16(2)21(15)29)28-34(44-11)33(43-10)27(39(28)6)25-24-23(36-40(7)37-24)19(12-35-25)26-32(42-9)20(41-8)13-38(26)5/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C30H24F4N6O2S4/c1-38-9-13(43-4)28(44-5)22(38)11-8-35-21(20-19(11)36-40(3)37-20)23-29(45-6)30(46-7)24(39(23)2)27-18(34)15-17(33)25-14(12(31)10-41-25)16(32)26(15)42-27/h8-10H,1-7H3


key: InChI
value:
  InChI=1S/C30H26F2N6O2S4/c1-36-12-17(41-4)28(42-5)23(36)15-11-33-22(21-20(15)34-38(3)35-21)25-30(44-7)29(43-6)24(37(25)2)16-10-14-19(32)26-13(8-9-39-26)18(31)27(14)40-16/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C32H32N6O2S4/c1-15-17-10-11-39-28(17)16(2)18-12-20(40-29(15)18)26-31(43-8)32(44-9)27(37(26)4)24-23-22(34-38(5)35-23)19(13-33-24)25-30(42-7)21(41-6)14-36(25)3/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C32H32N6S6/c1-15-17-10-11-43-28(17)16(2)18-12-20(44-29(15)18)26-31(41-8)32(42-9)27(37(26)4)24-23-22(34-38(5)35-23)19(13-33-24)25-30(40-7)21(39-6)14-36(25)3/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C32H30F2N6S6/c1-13-12-45-29-17(13)19(33)30-18(20(29)34)14(2)27(46-30)26-32(44-9)31(43-8)25(39(26)4)23-22-21(36-40(5)37-22)15(10-35-23)24-28(42-7)16(41-6)11-38(24)3/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C32H30F2N6O2S4/c1-13-18-16(33)12-41-27(18)14(2)19-20(34)29(42-28(13)19)26-32(46-9)31(45-8)25(39(26)4)23-22-21(36-40(5)37-22)15(10-35-23)24-30(44-7)17(43-6)11-38(24)3/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C30H24F4N6S6/c1-38-9-13(41-4)25(42-5)22(38)11-8-35-21(20-19(11)36-40(3)37-20)23-29(43-6)30(44-7)24(39(23)2)28-18(34)15-17(33)26-14(12(31)10-45-26)16(32)27(15)46-28/h8-10H,1-7H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nn(n2)C)s3)OC)c1cc(c(c(c1)F)F)F)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)scc3OC)c2cc(c(c(c2)F)F)F)s1)OC	


key: CAN_SMILES
value:
  COc1c(sc2c1c(c1cc(F)c(c(c1)F)F)c1sc(c(c1c2c1cc(F)c(c(c1)F)F)OC)c1nccc2c1nn(n2)C)c1cnc(c2c1nn(n2)C)c1sc2c(c1OC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(OC)cs1	


key: InChI
value:
  InChI=1S/C60H30F12N8O4S4/c1-79-75-32-7-8-73-49(47(32)77-79)59-53(84-6)41-37(22-15-30(67)45(72)31(68)16-22)57-40(36(58(41)88-59)21-13-28(65)44(71)29(66)14-21)51(82-4)54(86-57)23-17-74-50(48-46(23)76-80(2)78-48)60-52(83-5)39-35(20-11-26(63)43(70)27(64)12-20)55-38(33(81-3)18-85-55)34(56(39)87-60)19-9-24(61)42(69)25(62)10-19/h7-18H,1-6H3


key: InChI
value:
  InChI=1S/C34H36N6O4S4/c1-15-20-18(41-6)14-43-28(20)16(2)21-29(15)44-31(30(21)42-7)27-34(48-11)33(47-10)26(39(27)4)24-23-22(36-40(5)37-23)17(12-35-24)25-32(46-9)19(45-8)13-38(25)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C30H26F2N6S6/c1-36-12-17(39-4)28(40-5)23(36)15-11-33-22(21-20(15)34-38(3)35-21)25-30(42-7)29(41-6)24(37(25)2)16-10-14-19(32)26-13(8-9-43-26)18(31)27(14)44-16/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C25H17F2N3O3S6/c1-34-14-9-31-18(23(14)35-2)10-8-28-17(16-15(10)29-33-30-16)20-25(37-4)24(36-3)19(32-20)13-7-12(27)22(39-13)21-11(26)5-6-38-21/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C32H30F2N6O4S4/c1-38-11-15(45-6)30(46-7)23(38)13-10-35-22(21-20(13)36-40(3)37-21)24-31(47-8)32(48-9)25(39(24)2)29-28(42-5)17-19(34)26-16(14(41-4)12-43-26)18(33)27(17)44-29/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C30H8F4N6O2S4/c31-14-8-43-16-4-10-17(3-9(14)16)45-30(21(10)33)27-25-23(38-42-40-25)13(7-36-27)28-20(32)11-5-19-12(6-18(11)44-28)22(34)29(46-19)26-24-15(1-2-35-26)37-41-39-24/h1-8H


key: InChI
value:
  InChI=1S/C32H30F2N6O2S6/c1-38-11-14(43-4)29(45-6)23(38)13-10-35-22(21-20(13)36-40(3)37-21)24-31(47-8)32(48-9)25(39(24)2)28-30(46-7)17-19(34)26-16(15(44-5)12-41-26)18(33)27(17)42-28/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C32H30F2N6S8/c1-38-11-14(41-4)26(43-6)23(38)13-10-35-22(21-20(13)36-40(3)37-21)24-30(45-8)31(46-9)25(39(24)2)32-29(44-7)17-19(34)27-16(15(42-5)12-47-27)18(33)28(17)48-32/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C30H26F2N6S6/c1-36-11-19(39-4)27(40-5)24(36)15-10-33-23(22-21(15)34-38(3)35-22)25-29(41-6)30(42-7)26(37(25)2)28-20(32)14-9-17-13(8-18(14)44-28)16(31)12-43-17/h8-12H,1-7H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1cc2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)cc(c1nccc2c1nn(n2)C)o3)c1cc(c(c(c1)F)F)F)c1cc2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3)c2cc(c(c(c2)F)F)F)o1	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(cnc2c1oc2c(c1)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)cco1)c1oc2c(c1)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)cc(o1)c1nccc2c1nn(n2)C	


key: InChI
value:
  InChI=1S/C56H22F12N8O4/c1-75-71-36-3-5-69-50(49(36)73-75)38-17-26-43(22-13-34(63)47(68)35(64)14-22)55-24(42(56(26)79-38)21-11-32(61)46(67)33(62)12-21)15-37(78-55)27-18-70-51(52-48(27)72-76(2)74-52)39-16-25-41(20-9-30(59)45(66)31(60)10-20)53-23(4-6-77-53)40(54(25)80-39)19-7-28(57)44(65)29(58)8-19/h3-18H,1-2H3


key: InChI
value:
  InChI=1S/C32H32N6S6/c1-15-14-43-20-11-18-16(2)29(44-21(18)10-17(15)20)28-32(42-9)31(41-8)27(37(28)4)25-24-23(34-38(5)35-24)19(12-33-25)26-30(40-7)22(39-6)13-36(26)3/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C29H29N5O5S4/c1-33-10-9-16(35-3)22(33)23-17(36-4)11-15(34(23)2)25-28(42-7)29(43-8)26(38-25)21-20-19(31-39-32-20)14(12-30-21)24-27(41-6)18(40-5)13-37-24/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C32H32N6O2S4/c1-15-14-39-20-11-18-16(2)29(40-21(18)10-17(15)20)28-32(44-9)31(43-8)27(37(28)4)25-24-23(34-38(5)35-24)19(12-33-25)26-30(42-7)22(41-6)13-36(26)3/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C32H32N6O4S4/c1-36-13-21(43-6)30(44-7)25(36)17-12-33-24(23-22(17)34-38(3)35-23)26-31(45-8)32(46-9)27(37(26)2)29-28(40-5)16-11-18-15(10-19(16)42-29)20(39-4)14-41-18/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C32H32N6O2S6/c1-36-13-20(41-4)30(44-7)25(36)17-12-33-24(23-22(17)34-38(3)35-23)26-31(45-8)32(46-9)27(37(26)2)28-29(43-6)16-11-18-15(10-19(16)40-28)21(42-5)14-39-18/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C30H26F2N6O2S4/c1-36-11-19(41-4)28(42-5)24(36)15-10-33-23(22-21(15)34-38(3)35-22)25-29(43-6)30(44-7)26(37(25)2)27-20(32)14-9-17-13(8-18(14)40-27)16(31)12-39-17/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C30H28N6O2S4/c1-34-14-21(39-4)28(40-5)25(34)17-13-31-24(23-22(17)32-36(3)33-23)27-30(42-7)29(41-6)26(35(27)2)20-12-16-11-18-15(8-9-37-18)10-19(16)38-20/h8-14H,1-7H3


key: InChI
value:
  InChI=1S/C34H38N8O2S4/c1-38-15-22(43-6)17-12-21-18(13-20(17)38)31(44-7)29(40(21)3)30-34(48-11)33(47-10)28(41(30)4)26-25-24(36-42(5)37-25)19(14-35-26)27-32(46-9)23(45-8)16-39(27)2/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C27H25N5O3S4/c1-31-11-7-8-15(31)16-9-10-17(32(16)2)23-26(38-5)27(39-6)24(34-23)21-20-19(29-35-30-20)14(12-28-21)22-25(37-4)18(36-3)13-33-22/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C32H32N6O2S6/c1-36-13-21(41-6)29(42-7)25(36)17-12-33-24(23-22(17)34-38(3)35-23)26-31(43-8)32(44-9)27(37(26)2)30-28(40-5)16-11-19-15(10-20(16)46-30)18(39-4)14-45-19/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C34H38N8S6/c1-38-15-22(43-6)17-12-21-18(13-20(17)38)31(45-8)29(40(21)3)30-34(48-11)33(47-10)28(41(30)4)26-25-24(36-42(5)37-25)19(14-35-26)27-32(46-9)23(44-7)16-39(27)2/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C32H32N6S8/c1-36-13-20(39-4)29(42-7)25(36)17-12-33-24(23-22(17)34-38(3)35-23)26-30(43-8)31(44-9)27(37(26)2)32-28(41-6)16-11-18-15(10-19(16)46-32)21(40-5)14-45-18/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C25H19N3O5S4/c1-34-16-11-30-20(23(16)35-2)12-10-26-19(18-17(12)27-33-28-18)22-25(37-4)24(36-3)21(32-22)15-8-7-14(31-15)13-6-5-9-29-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H23N3O3S6/c1-12-7-8-38-23(12)24-13(2)9-15(39-24)21-26(36-5)27(37-6)22(32-21)19-18-17(29-33-30-18)14(10-28-19)20-25(35-4)16(34-3)11-31-20/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H23F2N5O3S4/c1-33-8-7-13(28)20(33)21-14(29)9-15(34(21)2)23-26(40-5)27(41-6)24(36-23)19-18-17(31-37-32-18)12(10-30-19)22-25(39-4)16(38-3)11-35-22/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C25H17F2N3O5S4/c1-36-14-9-32-18(23(14)37-2)10-8-28-17(16-15(10)29-35-30-16)22-25(39-4)24(38-3)21(34-22)13-7-12(27)20(33-13)19-11(26)5-6-31-19/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F2N3O5S4/c1-10-15-13(30)8-35-21(15)11(2)16-17(31)24(37-22(10)16)26-29(43-6)28(42-5)25(38-26)20-19-18(33-39-34-19)12(7-32-20)23-27(41-4)14(40-3)9-36-23/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O5S4/c1-12-14-7-8-33-22(14)13(2)15-9-17(35-23(12)15)25-28(40-5)29(41-6)26(36-25)21-20-19(31-37-32-20)16(10-30-21)24-27(39-4)18(38-3)11-34-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O3S6/c1-12-14-7-8-40-25(14)13(2)15-9-17(41-26(12)15)23-28(38-5)29(39-6)24(34-23)21-20-19(31-35-32-20)16(10-30-21)22-27(37-4)18(36-3)11-33-22/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C33H33N5O5S4/c1-14-19-17(39-5)12-37(3)24(19)15(2)20-25(14)38(4)26(28(20)40-6)30-33(47-10)32(46-9)29(42-30)23-22-21(35-43-36-22)16(11-34-23)27-31(45-8)18(44-7)13-41-27/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O7S4/c1-12-17-15(35-3)10-37-22(17)13(2)18-23(12)39-27(25(18)36-4)28-31(45-8)30(44-7)26(40-28)21-20-19(33-41-34-20)14(9-32-21)24-29(43-6)16(42-5)11-38-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O5S6/c1-12-17-15(35-3)11-44-26(17)13(2)18-23(36-4)29(45-27(12)18)25-31(43-8)30(42-7)24(38-25)21-20-19(33-39-34-20)14(9-32-21)22-28(41-6)16(40-5)10-37-22/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O5S4/c1-12-10-35-23-14(3)19-15(4)25(37-24(19)13(2)18(12)23)28-31(43-8)30(42-7)27(38-28)22-21-20(33-39-34-21)16(9-32-22)26-29(41-6)17(40-5)11-36-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27F2N5O3S4/c1-12-17-15(32)10-37(3)23(17)13(2)18-19(33)25(38(4)24(12)18)28-31(45-8)30(44-7)27(40-28)22-21-20(35-41-36-21)14(9-34-22)26-29(43-6)16(42-5)11-39-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O3S6/c1-10-15-13(30)9-42-24(15)11(2)16-17(31)27(43-25(10)16)23-29(41-6)28(40-5)22(36-23)20-19-18(33-37-34-19)12(7-32-20)21-26(39-4)14(38-3)8-35-21/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O3S4/c1-14-16-9-10-35(3)24(16)15(2)17-11-19(36(4)25(14)17)27-30(42-7)31(43-8)28(38-27)23-22-21(33-39-34-22)18(12-32-23)26-29(41-6)20(40-5)13-37-26/h9-13H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nn(n2)C)o3)SC)c1cc(c(c(c1)F)F)F)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3SC)c2cc(c(c(c2)F)F)F)o1)SC	


key: CAN_SMILES
value:
  CSc1c(oc2c1c(c1cc(F)c(c(c1)F)F)c1oc(c(c1c2c1cc(F)c(c(c1)F)F)SC)c1nccc2c1nn(n2)C)c1cnc(c2c1nn(n2)C)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(SC)co1	


key: InChI
value:
  InChI=1S/C60H30F12N8O4S4/c1-79-75-32-7-8-73-49(47(32)77-79)56-60(88-6)41-37(22-15-30(67)45(72)31(68)16-22)54-40(36(55(41)84-56)21-13-28(65)44(71)29(66)14-21)58(86-4)51(82-54)23-17-74-50(48-46(23)76-80(2)78-48)57-59(87-5)39-35(20-11-26(63)43(70)27(64)12-20)52-38(33(85-3)18-81-52)34(53(39)83-57)19-9-24(61)42(69)25(62)10-19/h7-18H,1-6H3


key: InChI
value:
  InChI=1S/C27H23N3O7S4/c1-31-13-7-8-33-21(13)22-14(32-2)9-15(35-22)23-26(40-5)27(41-6)24(36-23)19-18-17(29-37-30-18)12(10-28-19)20-25(39-4)16(38-3)11-34-20/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3O5S4/c1-10-8-35-23-14(10)16(30)24-15(17(23)31)11(2)21(37-24)26-29(43-6)28(42-5)25(38-26)20-19-18(33-39-34-19)12(7-32-20)22-27(41-4)13(40-3)9-36-22/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C25H17F2N3O4S5/c1-31-13-9-36-21(18(13)32-2)10-8-28-17(16-15(10)29-39-30-16)25-20(34-4)19(33-3)24(38-25)14-7-12(27)23(37-14)22-11(26)5-6-35-22/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C27H23N3O6S3/c1-12-7-8-35-20(12)21-13(2)9-15(36-21)26-23(33-5)24(34-6)27(38-26)19-18-17(29-39-30-18)14(10-28-19)25-22(32-4)16(31-3)11-37-25/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H23N3O4S5/c1-12-7-8-35-23(12)24-13(2)9-16(37-24)26-21(33-5)22(34-6)27(38-26)19-18-17(29-39-30-18)14(10-28-19)25-20(32-4)15(31-3)11-36-25/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H25N5O4S3/c1-31-11-7-8-15(31)16-9-10-17(32(16)2)26-23(35-5)24(36-6)27(38-26)21-20-19(29-39-30-20)14(12-28-21)25-22(34-4)18(33-3)13-37-25/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C25H17F2N3O6S3/c1-31-14-9-37-23(20(14)32-2)10-8-28-17(16-15(10)29-39-30-16)25-22(34-4)21(33-3)24(38-25)13-7-12(27)19(36-13)18-11(26)5-6-35-18/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H29N5O6S3/c1-33-10-9-16(35-3)22(33)23-17(36-4)11-15(34(23)2)28-25(39-7)26(40-8)29(42-28)21-20-19(31-43-32-20)14(12-30-21)27-24(38-6)18(37-5)13-41-27/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C25H19N3O6S3/c1-29-16-11-35-23(20(16)30-2)12-10-26-19(18-17(12)27-37-28-18)25-22(32-4)21(31-3)24(36-25)15-8-7-14(34-15)13-6-5-9-33-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H23F2N5O4S3/c1-33-8-7-13(28)20(33)21-14(29)9-15(34(21)2)26-23(37-5)24(38-6)27(40-26)19-18-17(31-41-32-18)12(10-30-19)25-22(36-4)16(35-3)11-39-25/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H23N3O6S5/c1-31-14-11-39-25(20(14)32-2)12-10-28-19(18-17(12)29-41-30-18)27-24(34-4)23(33-3)26(40-27)13-9-16(38-6)22(36-13)21-15(37-5)7-8-35-21/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H29N5O4S5/c1-33-10-9-17(39-7)22(33)23-18(40-8)11-15(34(23)2)28-25(37-5)26(38-6)29(42-28)21-20-19(31-43-32-20)14(12-30-21)27-24(36-4)16(35-3)13-41-27/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C25H19N3O4S5/c1-29-13-11-34-23(20(13)30-2)12-10-26-19(18-17(12)27-37-28-18)25-22(32-4)21(31-3)24(36-25)16-8-7-15(35-16)14-6-5-9-33-14/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H23N3O8S3/c1-31-13-7-8-37-20(13)21-14(32-2)9-15(38-21)26-23(35-5)24(36-6)27(40-26)19-18-17(29-41-30-18)12(10-28-19)25-22(34-4)16(33-3)11-39-25/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O6S3/c1-12-10-39-23-14(3)19-15(4)25(40-24(19)13(2)18(12)23)31-28(38-8)27(37-7)30(42-31)22-21-20(33-43-34-21)16(9-32-22)29-26(36-6)17(35-5)11-41-29/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O4S3/c1-14-12-37(5)25-16(3)21-17(4)27(38(6)26(21)15(2)20(14)25)33-30(42-10)29(41-9)32(44-33)24-23-22(35-45-36-23)18(11-34-24)31-28(40-8)19(39-7)13-43-31/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C27H23N3O6S5/c1-31-13-7-8-37-24(13)25-14(32-2)9-16(39-25)26-21(35-5)22(36-6)27(40-26)19-18-17(29-41-30-18)12(10-28-19)23-20(34-4)15(33-3)11-38-23/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H23N3O4S7/c1-31-13-11-38-23(20(13)32-2)12-10-28-19(18-17(12)29-41-30-18)27-22(34-4)21(33-3)24(40-27)16-9-15(36-6)26(39-16)25-14(35-5)7-8-37-25/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C34H36N6S10/c1-38-13-16(41-4)26(43-6)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-32(47-10)33(48-11)25(39(24)2)34-29(46-9)19-28(45-8)30-18(17(42-5)14-49-30)27(44-7)31(19)50-34/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C31H27N3O4S5/c1-12-10-39-26-14(3)19-15(4)28(41-27(19)13(2)18(12)26)31-25(38-8)24(37-7)30(42-31)22-21-20(33-43-34-21)16(9-32-22)29-23(36-6)17(35-5)11-40-29/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O6S3/c1-14-19-17(39-5)12-37(3)24(19)15(2)20-25(14)38(4)26(28(20)42-8)33-30(44-10)29(43-9)32(46-33)23-22-21(35-47-36-22)16(11-34-23)31-27(41-7)18(40-6)13-45-31/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O8S3/c1-12-17-15(35-3)10-41-22(17)13(2)18-23(12)42-28(25(18)38-6)31-27(40-8)26(39-7)30(44-31)21-20-19(33-45-34-20)14(9-32-21)29-24(37-5)16(36-4)11-43-29/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O6S5/c1-12-17-15(35-3)10-41-26(17)13(2)18-23(38-6)30(43-27(12)18)31-25(40-8)24(39-7)29(44-31)21-20-19(33-45-34-20)14(9-32-21)28-22(37-5)16(36-4)11-42-28/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O4S5/c1-14-19-18(43-9)12-37(3)24(19)15(2)20-25(14)38(4)26(31(20)44-10)33-29(42-8)28(41-7)32(46-33)23-22-21(35-47-36-22)16(11-34-23)30-27(40-6)17(39-5)13-45-30/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O6S5/c1-12-17-16(41-7)10-39-22(17)13(2)18-23(12)40-27(29(18)42-8)31-26(38-6)25(37-5)30(44-31)21-20-19(33-45-34-20)14(9-32-21)28-24(36-4)15(35-3)11-43-28/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C27H23N3O5S6/c1-31-13-7-8-40-23(13)24-14(32-2)9-15(41-24)21-26(38-5)27(39-6)22(34-21)19-18-17(29-35-30-18)12(10-28-19)20-25(37-4)16(36-3)11-33-20/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O6S3/c1-35-12-19(37-3)14-9-18-15(10-17(14)35)25(39-5)24(36(18)2)31-28(42-8)27(41-7)30(44-31)23-22-21(33-45-34-22)16(11-32-23)29-26(40-6)20(38-4)13-43-29/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C27H23N3O3S8/c1-34-13-7-8-40-24(13)25-15(35-2)9-14(41-25)21-26(38-5)27(39-6)22(32-21)19-18-17(29-33-30-18)12(10-28-19)20-23(37-4)16(36-3)11-31-20/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C33H33N5O6S3/c1-14-12-37(3)24-18(14)27(41-7)25-19(28(24)42-8)15(2)23(38(25)4)33-30(44-10)29(43-9)32(46-33)22-21-20(35-47-36-21)16(11-34-22)31-26(40-6)17(39-5)13-45-31/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O6S5/c1-12-10-41-28-16(12)22(37-5)29-17(23(28)38-6)13(2)26(43-29)31-25(40-8)24(39-7)30(44-31)20-19-18(33-45-34-19)14(9-32-20)27-21(36-4)15(35-3)11-42-27/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H29N5O3S6/c1-33-10-9-16(38-3)22(33)23-17(39-4)11-15(34(23)2)25-28(42-7)29(43-8)26(36-25)21-20-19(31-37-32-20)14(12-30-21)24-27(41-6)18(40-5)13-35-24/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O8S5/c1-35-13-11-45-28(20(13)36-2)12-9-32-19(18-17(12)33-47-34-18)30-25(39-5)26(40-6)31(46-30)27-29(44-8)16-22(38-4)23-15(14(43-7)10-41-23)21(37-3)24(16)42-27/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O4S7/c1-12-10-41-28-16(12)26(39-7)29-17(27(28)40-8)13(2)24(43-29)31-23(38-6)22(37-5)30(44-31)20-19-18(33-45-34-19)14(9-32-20)25-21(36-4)15(35-3)11-42-25/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27F2N5O4S5/c1-37-10-13(32)15-21(37)29(44-8)16-17(33)23(38(2)22(16)28(15)43-7)31-26(42-6)25(41-5)30(46-31)20-19-18(35-47-36-19)12(9-34-20)27-24(40-4)14(39-3)11-45-27/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O3S4/c1-14-12-37(5)25-16(3)21-17(4)27(38(6)26(21)15(2)20(14)25)30-33(45-10)32(44-9)29(40-30)24-23-22(35-41-36-23)18(11-34-24)28-31(43-8)19(42-7)13-39-28/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O4S9/c1-35-13-10-43-23(20(13)36-2)12-9-32-19(18-17(12)33-47-34-18)29-21(37-3)22(38-4)30(46-29)31-26(42-8)16-25(41-7)27-15(14(39-5)11-44-27)24(40-6)28(16)45-31/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C30H32F2N8S4/c1-36-11-10-16(31)24(36)25-17(32)12-18(38(25)3)26-29(43-8)30(44-9)27(39(26)4)22-21-20(34-40(5)35-21)15(13-33-22)23-28(42-7)19(41-6)14-37(23)2/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C28H26F2N6O2S4/c1-34-12-17(39-4)26(40-5)21(34)13-11-31-20(19-18(13)32-36(3)33-19)23-28(42-7)27(41-6)22(35(23)2)16-10-15(30)25(38-16)24-14(29)8-9-37-24/h8-12H,1-7H3


key: InChI
value:
  InChI=1S/C30H32N6S8/c1-34-14-19(39-6)26(40-7)23(34)15-13-31-22(21-20(15)32-36(3)33-21)25-30(42-9)29(41-8)24(35(25)2)17-12-18(38-5)28(44-17)27-16(37-4)10-11-43-27/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C28H12N6O6/c1-3-29-22(21-16(1)31-39-33-21)18-9-14-6-13-7-17(36-27(13)28(14)38-18)15-10-30-23(24-20(15)32-40-34-24)19-8-12-5-11-2-4-35-25(11)26(12)37-19/h1-4,7-10H,5-6H2


key: InChI
value:
  InChI=1S/C34H36N6O2S4/c1-15-14-41-29-17(3)22-18(4)31(42-30(22)16(2)21(15)29)28-34(46-11)33(45-10)27(39(28)6)25-24-23(36-40(7)37-24)19(12-35-25)26-32(44-9)20(43-8)13-38(26)5/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C34H36N6O2S6/c1-15-20-18(41-6)14-47-29(20)16(2)21-28(42-7)32(48-30(15)21)27-34(46-11)33(45-10)26(39(27)4)24-23-22(36-40(5)37-23)17(12-35-24)25-31(44-9)19(43-8)13-38(25)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C32H30F2N6O2S6/c1-38-11-15(43-6)27(44-7)23(38)13-10-35-22(21-20(13)36-40(3)37-21)24-31(45-8)32(46-9)25(39(24)2)30-26(42-5)17-19(34)28-16(14(41-4)12-47-28)18(33)29(17)48-30/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C34H38N8S4/c1-17-15-38(3)22-13-20-18(2)28(40(5)23(20)12-19(17)22)31-34(46-11)33(45-10)30(41(31)6)27-26-25(36-42(7)37-26)21(14-35-27)29-32(44-9)24(43-8)16-39(29)4/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C32H32F2N8S4/c1-38-13-18(33)15-10-20-16(11-19(15)38)22(34)27(40(20)3)29-32(46-9)31(45-8)28(41(29)4)25-24-23(36-42(5)37-24)17(12-35-25)26-30(44-7)21(43-6)14-39(26)2/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C32H34N8S4/c1-36-11-10-17-12-21-18(13-20(17)36)14-22(38(21)3)28-31(43-8)32(44-9)29(39(28)4)26-25-24(34-40(5)35-25)19(15-33-26)27-30(42-7)23(41-6)16-37(27)2/h10-16H,1-9H3


key: InChI
value:
  InChI=1S/C33H33N5O3S6/c1-14-19-17(42-5)12-37(3)24(19)15(2)20-25(14)38(4)26(31(20)45-8)29-33(47-10)32(46-9)28(40-29)23-22-21(35-41-36-22)16(11-34-23)27-30(44-7)18(43-6)13-39-27/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C29H21F2N3O3S6/c1-10-9-42-26-14(10)16(30)27-15(17(26)31)11(2)24(43-27)23-29(41-6)28(40-5)22(36-23)20-19-18(33-37-34-19)12(7-32-20)21-25(39-4)13(38-3)8-35-21/h7-9H,1-6H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)sc(c3SC)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3cc(c(c(c3)F)F)F)scc4SC)c3cc(c(c(c3)F)F)F)s2)SC)c2cc(c(c(c2)F)F)F)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(c1cc(F)c(c(c1)F)F)c1sc(c(c1c2c1cc(F)c(c(c1)F)F)SC)c1nccc2c1nn(n2)C)c1cnc(c2c1nn(n2)C)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(SC)cs1	


key: InChI
value:
  InChI=1S/C60H30F12N8S8/c1-79-75-32-7-8-73-49(47(32)77-79)59-58(84-6)41-37(22-15-30(67)45(72)31(68)16-22)54-40(36(55(41)88-59)21-13-28(65)44(71)29(66)14-21)56(82-4)51(86-54)23-17-74-50(48-46(23)76-80(2)78-48)60-57(83-5)39-35(20-11-26(63)43(70)27(64)12-20)52-38(33(81-3)18-85-52)34(53(39)87-60)19-9-24(61)42(69)25(62)10-19/h7-18H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O5S6/c1-12-17-15(40-3)10-35-22(17)13(2)18-23(12)37-26(29(18)43-6)27-31(45-8)30(44-7)25(38-27)21-20-19(33-39-34-20)14(9-32-21)24-28(42-5)16(41-4)11-36-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H23F2N5O3S4/c1-35-8-7-12-17(30)23-13(18(31)22(12)35)9-15(36(23)2)25-28(42-5)29(43-6)26(38-25)21-20-19(33-39-34-20)14(10-32-21)24-27(41-4)16(40-3)11-37-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H17F2N3O3S6/c1-36-14-9-33-20(25(14)37-2)12-8-30-19(18-17(12)31-35-32-18)22-27(39-4)26(38-3)21(34-22)13-7-11-16(29)23-10(5-6-40-23)15(28)24(11)41-13/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C31H27F2N5O3S4/c1-12-10-37(3)24-16(12)18(32)25-17(19(24)33)13(2)23(38(25)4)28-31(45-8)30(44-7)27(40-28)22-21-20(35-41-36-21)14(9-34-22)26-29(43-6)15(42-5)11-39-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C27H15F4N3O5S4/c1-40-10-7-36-19(25(10)41-2)8-5-32-18(17-16(8)33-39-34-17)23-26(42-3)27(43-4)24(38-23)22-15(31)12-14(30)20-11(9(28)6-35-20)13(29)21(12)37-22/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H15F4N3O3S6/c1-38-10-6-35-19(22(10)39-2)8-5-32-18(17-16(8)33-37-34-17)20-26(40-3)27(41-4)21(36-20)25-15(31)12-14(30)23-11(9(28)7-42-23)13(29)24(12)43-25/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C27H17F2N3O5S4/c1-38-14-9-34-22(25(14)39-2)12-8-30-19(18-17(12)31-37-32-18)24-27(41-4)26(40-3)23(36-24)13-7-11-16(29)20-10(5-6-33-20)15(28)21(11)35-13/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F2N3O7S4/c1-35-11-8-37-21-13(11)15(30)22-14(16(21)31)23(36-2)25(39-22)26-29(45-6)28(44-5)24(40-26)19-18-17(33-41-34-18)10(7-32-19)20-27(43-4)12(42-3)9-38-20/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3O5S6/c1-35-11-9-44-25-13(11)15(30)26-14(16(25)31)21(36-2)27(45-26)23-29(43-6)28(42-5)22(38-23)19-18-17(33-39-34-18)10(7-32-19)20-24(41-4)12(40-3)8-37-20/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H27F2N5O5S4/c1-37-10-13(39-3)15-17(32)23-16(18(33)22(15)37)26(40-4)24(38(23)2)28-31(47-8)30(46-7)27(42-28)21-20-19(35-43-36-20)12(9-34-21)25-29(45-6)14(44-5)11-41-25/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27F2N5O3S6/c1-37-10-13(42-3)15-17(32)23-16(18(33)22(15)37)29(45-6)24(38(23)2)27-31(47-8)30(46-7)26(40-27)21-20-19(35-41-36-20)12(9-34-21)25-28(44-5)14(43-4)11-39-25/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O5S6/c1-40-11-8-36-21-13(11)15(30)22-14(16(21)31)27(43-4)24(37-22)25-29(45-6)28(44-5)23(38-25)19-18-17(33-39-34-18)10(7-32-19)20-26(42-3)12(41-2)9-35-20/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O3S4/c1-14-12-35(3)19-10-17-15(2)25(36(4)20(17)9-16(14)19)28-31(43-8)30(42-7)27(38-28)24-23-22(33-39-34-23)18(11-32-24)26-29(41-6)21(40-5)13-37-26/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O3S6/c1-12-11-40-17-8-15-13(2)26(41-18(15)7-14(12)17)25-29(39-6)28(38-5)24(34-25)22-21-20(31-35-32-21)16(9-30-22)23-27(37-4)19(36-3)10-33-23/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H17F2N3O3S6/c1-36-16-8-33-21(24(16)37-2)12-7-30-20(19-18(12)31-35-32-19)22-26(38-3)27(39-4)23(34-22)25-17(29)11-6-14-10(5-15(11)41-25)13(28)9-40-14/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F2N3O3S8/c1-38-11-8-35-20(23(11)40-3)10-7-32-19(18-17(10)33-37-34-18)21-27(42-5)28(43-6)22(36-21)29-26(41-4)14-16(31)24-13(12(39-2)9-44-24)15(30)25(14)45-29/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O5S4/c1-12-10-33-17-8-15-13(2)23(35-18(15)7-14(12)17)26-29(41-6)28(40-5)25(36-26)22-21-20(31-37-32-21)16(9-30-22)24-27(39-4)19(38-3)11-34-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O5S4/c1-35-12-19(37-3)14-9-18-15(10-17(14)35)25(38-4)24(36(18)2)28-31(45-8)30(44-7)27(40-28)23-22-21(33-41-34-22)16(11-32-23)26-29(43-6)20(42-5)13-39-26/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H23F2N5O3S4/c1-35-10-15(30)12-7-17-13(8-16(12)35)19(31)23(36(17)2)26-29(43-6)28(42-5)25(38-26)22-21-20(33-39-34-21)14(9-32-22)24-27(41-4)18(40-3)11-37-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H17F2N3O5S4/c1-38-16-9-34-21(25(16)39-2)12-7-30-20(19-18(12)31-37-32-19)23-26(40-3)27(41-4)24(36-23)22-17(29)11-6-14-10(5-15(11)35-22)13(28)8-33-14/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H25N5O3S4/c1-33-8-7-14-9-18-15(10-17(14)33)11-19(34(18)2)25-28(40-5)29(41-6)26(36-25)23-22-21(31-37-32-22)16(12-30-23)24-27(39-4)20(38-3)13-35-24/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O5S6/c1-33-15-11-42-16-8-13-17(7-12(15)16)43-27(22(13)34-2)25-29(41-6)28(40-5)24(36-25)21-20-19(31-37-32-20)14(9-30-21)23-26(39-4)18(38-3)10-35-23/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O7S4/c1-33-17-10-35-15-8-13-16(7-12(15)17)37-25(22(13)34-2)26-29(43-6)28(42-5)24(38-26)21-20-19(31-39-32-20)14(9-30-21)23-27(41-4)18(40-3)11-36-23/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O5S6/c1-38-17-10-33-15-8-13-16(7-12(15)17)35-24(26(13)40-3)25-29(43-6)28(42-5)23(36-25)21-20-19(31-37-32-20)14(9-30-21)22-27(41-4)18(39-2)11-34-22/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O3S8/c1-36-17-10-33-22(26(17)39-4)14-9-30-21(20-19(14)31-35-32-20)23-27(40-5)28(41-6)24(34-23)29-25(38-3)13-8-15-12(7-16(13)43-29)18(37-2)11-42-15/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O7S4/c1-12-10-37-25-16(12)23(35-3)26-17(24(25)36-4)13(2)21(39-26)28-31(45-8)30(44-7)27(40-28)20-19-18(33-41-34-19)14(9-32-20)22-29(43-6)15(42-5)11-38-22/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O5S6/c1-33-20-12-7-8-42-25(12)21(34-2)13-9-15(43-26(13)20)23-28(40-5)29(41-6)24(36-23)19-18-17(31-37-32-18)14(10-30-19)22-27(39-4)16(38-3)11-35-22/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O9S4/c1-35-13-10-39-24-15(13)21(36-2)25-16(22(24)37-3)23(38-4)27(41-25)28-31(47-8)30(46-7)26(42-28)19-18-17(33-43-34-18)12(9-32-19)20-29(45-6)14(44-5)11-40-20/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27F2N5O5S4/c1-37-10-13(32)15-21(37)26(40-4)16-17(33)23(38(2)22(16)25(15)39-3)28-31(47-8)30(46-7)27(42-28)20-19-18(35-43-36-19)12(9-34-20)24-29(45-6)14(44-5)11-41-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O5S6/c1-35-20-13-11(30)9-44-25(13)21(36-2)14-15(31)27(45-26(14)20)23-29(43-6)28(42-5)22(38-23)18-17-16(33-39-34-17)10(7-32-18)19-24(41-4)12(40-3)8-37-19/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O5S4/c1-35-10-9-14-22(35)25(38-4)15-11-17(36(2)23(15)24(14)37-3)27-30(44-7)31(45-8)28(40-27)21-20-19(33-41-34-20)16(12-32-21)26-29(43-6)18(42-5)13-39-26/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O7S4/c1-33-20-12-7-8-35-22(12)21(34-2)13-9-15(37-23(13)20)25-28(42-5)29(43-6)26(38-25)19-18-17(31-39-32-18)14(10-30-19)24-27(41-4)16(40-3)11-36-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C26H12Ge2N6O2Se4/c1-3-29-20(19-14(1)31-35-33-19)16-7-13-26(40-16)25-11(28-13)5-15(38-25)9-8-30-21(22-18(9)32-36-34-22)17-6-12-24(39-17)23-10(27-12)2-4-37-23/h1-8H,27-28H2


key: InChI
value:
  InChI=1S/C31H27N3O5S6/c1-12-11-44-28-16(12)22(35-3)29-17(23(28)36-4)13(2)26(45-29)25-31(43-8)30(42-7)24(38-25)20-19-18(33-39-34-19)14(9-32-20)21-27(41-6)15(40-5)10-37-21/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O5S6/c1-37-12-15(44-5)17-22(37)27(40-4)18-23(26(17)39-3)38(2)24(31(18)47-8)29-33(49-10)32(48-9)28(42-29)21-20-19(35-43-36-20)14(11-34-21)25-30(46-7)16(45-6)13-41-25/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O7S6/c1-35-21-15-13(42-3)10-38-23(15)22(36-2)16-24(21)39-26(29(16)45-6)27-31(47-8)30(46-7)25(40-27)19-18-17(33-41-34-18)12(9-32-19)20-28(44-5)14(43-4)11-37-20/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O5S8/c1-35-21-15-14(41-4)11-46-26(15)22(36-2)16-27(21)47-31(28(16)43-6)24-30(45-8)29(44-7)23(38-24)19-18-17(33-39-34-18)12(9-32-19)20-25(42-5)13(40-3)10-37-20/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O3S8/c1-36-16-11-33-20(27(16)39-4)14-10-30-19(18-17(14)31-35-32-18)22-29(41-6)28(40-5)21(34-22)15-9-13-24(38-3)25-12(7-8-42-25)23(37-2)26(13)43-15/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C33H33N5O3S6/c1-14-12-37(3)24-18(14)30(44-7)25-19(31(24)45-8)15(2)23(38(25)4)28-33(47-10)32(46-9)27(40-28)22-21-20(35-41-36-21)16(11-34-22)26-29(43-6)17(42-5)13-39-26/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O5S6/c1-12-10-35-23-16(12)28(42-5)24-17(29(23)43-6)13(2)21(37-24)26-31(45-8)30(44-7)25(38-26)20-19-18(33-39-34-19)14(9-32-20)22-27(41-4)15(40-3)11-36-22/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O7S6/c1-35-13-10-37-22-15(13)28(44-5)23-16(29(22)45-6)21(36-2)25(39-23)26-31(47-8)30(46-7)24(40-26)19-18-17(33-41-34-18)12(9-32-19)20-27(43-4)14(42-3)11-38-20/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H29N5O3S6/c1-35-10-9-14-22(35)28(42-5)15-11-17(36(2)23(15)27(14)41-4)25-30(44-7)31(45-8)26(38-25)21-20-19(33-39-34-20)16(12-32-21)24-29(43-6)18(40-3)13-37-24/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O5S6/c1-38-16-11-34-21(27(16)41-4)14-10-30-19(18-17(14)31-37-32-18)24-29(43-6)28(42-5)23(36-24)15-9-13-22(35-15)25(39-2)12-7-8-33-20(12)26(13)40-3/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C33H33N5O5S6/c1-37-12-15(39-3)17-22(37)31(47-8)18-23(30(17)46-7)38(2)24(26(18)40-4)28-33(49-10)32(48-9)27(42-28)21-20-19(35-43-36-20)14(11-34-21)25-29(45-6)16(44-5)13-41-25/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O3S8/c1-12-11-44-28-16(12)26(40-5)29-17(27(28)41-6)13(2)24(45-29)23-31(43-8)30(42-7)22(36-23)20-19-18(33-37-34-19)14(9-32-20)21-25(39-4)15(38-3)10-35-21/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O3S8/c1-38-12-8-35-19(22(12)39-2)10-7-32-18(17-16(10)33-37-34-17)20-28(42-5)29(43-6)21(36-20)27-15(31)14-24(41-4)25-13(11(30)9-44-25)23(40-3)26(14)45-27/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H23F2N5S7/c1-33-8-7-13(28)20(33)21-14(29)9-15(34(21)2)23-26(37-5)27(38-6)25(40-23)19-18-17(31-41-32-18)12(10-30-19)22-24(36-4)16(35-3)11-39-22/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27F2N5O3S6/c1-37-10-13(32)15-21(37)29(45-6)16-17(33)23(38(2)22(16)28(15)44-5)26-31(47-8)30(46-7)25(40-26)20-19-18(35-41-36-19)12(9-34-20)24-27(43-4)14(42-3)11-39-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O5S8/c1-40-13-10-36-21-15(13)27(43-4)22-16(28(21)44-5)29(45-6)24(37-22)25-31(47-8)30(46-7)23(38-25)19-18-17(33-39-34-18)12(9-32-19)20-26(42-3)14(41-2)11-35-20/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O2S7/c1-10-15-13(30)8-35-21(15)11(2)16-17(31)23(36-22(10)16)27-29(40-6)28(39-5)26(42-27)20-19-18(33-43-34-19)12(7-32-20)24-25(38-4)14(37-3)9-41-24/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O5S8/c1-35-13-11-46-27-15(13)25(42-5)28-16(26(27)43-6)21(36-2)29(47-28)23-31(45-8)30(44-7)22(38-23)19-18-17(33-39-34-18)12(9-32-19)20-24(41-4)14(40-3)10-37-20/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H29N5S7/c1-14-9-10-33(3)22(14)23-15(2)11-17(34(23)4)25-28(37-7)29(38-8)27(40-25)21-20-19(31-41-32-20)16(12-30-21)24-26(36-6)18(35-5)13-39-24/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O3S10/c1-38-13-10-35-20(23(13)40-3)12-9-32-19(18-17(12)33-37-34-18)21-29(44-7)30(45-8)22(36-21)31-26(43-6)16-25(42-5)27-15(14(39-2)11-46-27)24(41-4)28(16)47-31/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C27H23N3O2S7/c1-12-7-8-31-20(12)21-13(2)9-15(32-21)23-26(35-5)27(36-6)25(38-23)19-18-17(29-39-30-18)14(10-28-19)22-24(34-4)16(33-3)11-37-22/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H23N3S9/c1-12-7-8-35-20(12)21-13(2)9-15(37-21)24-26(33-5)27(34-6)25(38-24)19-18-17(29-39-30-18)14(10-28-19)22-23(32-4)16(31-3)11-36-22/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H25N5S7/c1-31-11-7-8-15(31)16-9-10-17(32(16)2)23-26(35-5)27(36-6)25(38-23)21-20-19(29-39-30-20)14(12-28-21)22-24(34-4)18(33-3)13-37-22/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C25H17F2N3O2S7/c1-33-14-9-37-20(22(14)34-2)10-8-28-17(16-15(10)29-39-30-16)23-25(36-4)24(35-3)21(38-23)13-7-12(27)19(32-13)18-11(26)5-6-31-18/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C25H19N3O2S7/c1-31-16-11-35-20(22(16)32-2)12-10-26-19(18-17(12)27-37-28-18)23-25(34-4)24(33-3)21(36-23)15-8-7-14(30-15)13-6-5-9-29-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C25H19N3S9/c1-29-16-11-34-20(21(16)30-2)12-10-26-19(18-17(12)27-37-28-18)23-25(32-4)24(31-3)22(36-23)15-8-7-14(35-15)13-6-5-9-33-13/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C25H17F2N3S9/c1-31-14-9-36-18(21(14)32-2)10-8-28-17(16-15(10)29-39-30-16)23-25(34-4)24(33-3)22(38-23)13-7-12(27)20(37-13)19-11(26)5-6-35-19/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H29N5O2S7/c1-33-10-9-16(35-3)22(33)23-17(36-4)11-15(34(23)2)25-28(39-7)29(40-8)27(42-25)21-20-19(31-43-32-20)14(12-30-21)24-26(38-6)18(37-5)13-41-24/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C27H23N3O4S7/c1-31-13-7-8-33-20(13)21-14(32-2)9-15(34-21)23-26(37-5)27(38-6)25(40-23)19-18-17(29-41-30-18)12(10-28-19)22-24(36-4)16(35-3)11-39-22/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H23N3O2S9/c1-31-13-7-8-37-21(13)22-14(32-2)9-15(39-22)24-26(35-5)27(36-6)25(40-24)19-18-17(29-41-30-18)12(10-28-19)20-23(34-4)16(33-3)11-38-20/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H29N5S9/c1-33-10-9-16(35-3)22(33)23-17(36-4)11-15(34(23)2)25-28(39-7)29(40-8)27(42-25)21-20-19(31-43-32-20)14(12-30-21)24-26(38-6)18(37-5)13-41-24/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C27H23N3O2S9/c1-33-14-7-8-31-20(14)21-15(34-2)9-13(32-21)23-26(37-5)27(38-6)25(40-23)19-18-17(29-41-30-18)12(10-28-19)22-24(36-4)16(35-3)11-39-22/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O2S7/c1-12-10-35-23-14(3)19-15(4)25(36-24(19)13(2)18(12)23)29-31(40-8)30(39-7)28(42-29)22-21-20(33-43-34-21)16(9-32-22)26-27(38-6)17(37-5)11-41-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3S9/c1-12-14-7-8-37-22(14)13(2)15-9-17(39-23(12)15)26-28(35-5)29(36-6)27(40-26)21-20-19(31-41-32-20)16(10-30-21)24-25(34-4)18(33-3)11-38-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3S9/c1-12-10-39-23-14(3)19-15(4)25(41-24(19)13(2)18(12)23)31-30(38-8)29(37-7)28(42-31)22-21-20(33-43-34-21)16(9-32-22)26-27(36-6)17(35-5)11-40-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O2S9/c1-12-17-15(35-3)10-41-23(17)13(2)18-22(36-4)28(43-24(12)18)31-30(40-8)29(39-7)27(44-31)21-20-19(33-45-34-20)14(9-32-21)25-26(38-6)16(37-5)11-42-25/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C27H23N3S11/c1-31-13-7-8-37-22(13)23-14(32-2)9-15(39-23)24-26(35-5)27(36-6)25(40-24)19-18-17(29-41-30-18)12(10-28-19)20-21(34-4)16(33-3)11-38-20/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C33H33N5S7/c1-14-12-37(5)25-16(3)21-17(4)27(38(6)26(21)15(2)20(14)25)31-33(42-10)32(41-9)30(44-31)24-23-22(35-45-36-23)18(11-34-24)28-29(40-8)19(39-7)13-43-28/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C29H21F2N3S9/c1-10-15-13(30)8-39-21(15)11(2)16-17(31)25(41-22(10)16)29-28(38-6)27(37-5)26(42-29)20-19-18(33-43-34-19)12(7-32-20)23-24(36-4)14(35-3)9-40-23/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F4N5S7/c1-37-8-11(30)13-15(31)22-14(16(32)21(13)37)17(33)23(38(22)2)27-29(42-6)28(41-5)26(44-27)20-19-18(35-45-36-19)10(7-34-20)24-25(40-4)12(39-3)9-43-24/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H27F2N5S7/c1-12-17-15(32)10-37(3)23(17)13(2)18-19(33)25(38(4)24(12)18)29-31(42-8)30(41-7)28(44-29)22-21-20(35-45-36-21)14(9-34-22)26-27(40-6)16(39-5)11-43-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O2S7/c1-12-14-7-8-33-22(14)13(2)15-9-17(34-23(12)15)25-28(37-5)29(38-6)27(40-25)21-20-19(31-41-32-20)16(10-30-21)24-26(36-4)18(35-3)11-39-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5S7/c1-14-16-9-10-35(3)24(16)15(2)17-11-19(36(4)25(14)17)27-30(39-7)31(40-8)29(42-27)23-22-21(33-43-34-22)18(12-32-23)26-28(38-6)20(37-5)13-41-26/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O2S7/c1-14-19-17(39-5)12-37(3)24(19)15(2)20-25(14)38(4)26(27(20)40-6)31-33(44-10)32(43-9)30(46-31)23-22-21(35-47-36-22)16(11-34-23)28-29(42-8)18(41-7)13-45-28/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O4S7/c1-12-17-15(35-3)10-37-22(17)13(2)18-23(12)38-25(24(18)36-4)29-31(42-8)30(41-7)28(44-29)21-20-19(33-45-34-20)14(9-32-21)26-27(40-6)16(39-5)11-43-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O2S9/c1-12-17-15(37-3)10-35-22(17)13(2)18-23(12)36-24(27(18)40-6)29-31(42-8)30(41-7)28(44-29)21-20-19(33-45-34-20)14(9-32-21)25-26(39-5)16(38-4)11-43-25/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H21F2N3O2S7/c1-10-8-35-22-14(10)16(30)23-15(17(22)31)11(2)21(36-23)27-29(40-6)28(39-5)26(42-27)20-19-18(33-43-34-19)12(7-32-20)24-25(38-4)13(37-3)9-41-24/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3S9/c1-10-8-39-24-14(10)16(30)25-15(17(24)31)11(2)21(41-25)29-28(38-6)27(37-5)26(42-29)20-19-18(33-43-34-19)12(7-32-20)22-23(36-4)13(35-3)9-40-22/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3S11/c1-12-17-15(35-3)10-41-22(17)13(2)18-23(12)43-30(26(18)38-6)31-29(40-8)28(39-7)27(44-31)21-20-19(33-45-34-20)14(9-32-21)24-25(37-5)16(36-4)11-42-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C27H17F2N3O2S7/c1-35-14-9-39-22(24(14)36-2)12-8-30-19(18-17(12)31-41-32-18)25-27(38-4)26(37-3)23(40-25)13-7-11-16(29)20-10(5-6-33-20)15(28)21(11)34-13/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H23N3O2S7/c1-12-10-33-17-8-15-13(2)23(34-18(15)7-14(12)17)27-29(38-6)28(37-5)26(40-27)22-21-20(31-41-32-21)16(9-30-22)24-25(36-4)19(35-3)11-39-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H15F4N3S9/c1-35-10-7-40-19(20(10)36-2)8-5-32-18(17-16(8)33-43-34-17)24-25(37-3)26(38-4)27(42-24)23-15(31)12-14(30)21-11(9(28)6-39-21)13(29)22(12)41-23/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C29H23F2N5S7/c1-35-8-7-12-17(30)23-13(18(31)22(12)35)9-15(36(23)2)25-28(39-5)29(40-6)27(42-25)21-20-19(33-43-34-20)14(10-32-21)24-26(38-4)16(37-3)11-41-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27F2N5O2S7/c1-37-10-13(39-3)15-17(32)23-16(18(33)22(15)37)25(40-4)24(38(23)2)29-31(44-8)30(43-7)28(46-29)21-20-19(35-47-36-20)12(9-34-21)26-27(42-6)14(41-5)11-45-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C27H15F4N3O2S7/c1-37-10-7-41-22(23(10)38-2)8-5-32-18(17-16(8)33-43-34-17)24-26(39-3)27(40-4)25(42-24)21-15(31)12-14(30)19-11(9(28)6-35-19)13(29)20(12)36-21/h5-7H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F2N3O4S7/c1-35-11-8-37-20-13(11)15(30)21-14(16(20)31)22(36-2)23(38-21)27-29(42-6)28(41-5)26(44-27)19-18-17(33-45-34-18)10(7-32-19)24-25(40-4)12(39-3)9-43-24/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3S11/c1-35-11-8-42-22-13(11)15(30)23-14(16(22)31)24(38-4)28(43-23)29-27(40-6)26(39-5)25(44-29)19-18-17(33-45-34-18)10(7-32-19)20-21(37-3)12(36-2)9-41-20/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C27H17F2N3S9/c1-33-14-9-38-22(23(14)34-2)12-8-30-19(18-17(12)31-41-32-18)25-27(36-4)26(35-3)24(40-25)13-7-11-16(29)20-10(5-6-37-20)15(28)21(11)39-13/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H21F2N3O2S9/c1-35-11-8-41-23-13(11)15(30)24-14(16(23)31)20(36-2)26(43-24)29-28(40-6)27(39-5)25(44-29)19-18-17(33-45-34-18)10(7-32-19)21-22(38-4)12(37-3)9-42-21/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3O2S9/c1-37-11-8-35-20-13(11)15(30)21-14(16(20)31)25(40-4)22(36-21)27-29(42-6)28(41-5)26(44-27)19-18-17(33-45-34-18)10(7-32-19)23-24(39-3)12(38-2)9-43-23/h7-9H,1-6H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)C)c(c(c1nccc2c1non2)s3)OC)C)OC)c1c(c2c(c(c3c(c2C)scc3OC)C)s1)OC	


key: InChI
value:
  InChI=1S/C38H28N6O6S4/c1-13-20-19(45-5)12-51-32(20)14(2)21-30(47-7)38(53-33(13)21)28-26-24(42-50-44-26)17(11-40-28)36-29(46-6)22-15(3)35-23(16(4)34(22)52-36)31(48-8)37(54-35)27-25-18(9-10-39-27)41-49-43-25/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C31H29N5S7/c1-14-12-35(3)19-10-17-15(2)25(36(4)20(17)9-16(14)19)29-31(40-8)30(39-7)28(42-29)24-23-22(33-43-34-23)18(11-32-24)26-27(38-6)21(37-5)13-41-26/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3S9/c1-12-10-37-17-8-15-13(2)23(39-18(15)7-14(12)17)29-28(36-6)27(35-5)26(40-29)22-21-20(31-41-32-21)16(9-30-22)24-25(34-4)19(33-3)11-38-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23F2N5S7/c1-35-10-15(30)12-7-17-13(8-16(12)35)19(31)23(36(17)2)27-29(40-6)28(39-5)26(42-27)22-21-20(33-43-34-21)14(9-32-22)24-25(38-4)18(37-3)11-41-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H17F2N3S9/c1-33-16-9-38-21(22(16)34-2)12-7-30-20(19-18(12)31-41-32-19)24-25(35-3)26(36-4)27(40-24)23-17(29)11-6-14-10(5-15(11)39-23)13(28)8-37-14/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C27H17F2N3O2S7/c1-35-16-9-39-22(23(16)36-2)12-7-30-20(19-18(12)31-41-32-19)24-26(37-3)27(38-4)25(40-24)21-17(29)11-6-14-10(5-15(11)34-21)13(28)8-33-14/h5-9H,1-4H3


key: InChI
value:
  InChI=1S/C29H25N5S7/c1-33-8-7-14-9-18-15(10-17(14)33)11-19(34(18)2)25-28(37-5)29(38-6)27(40-25)23-22-21(31-41-32-22)16(12-30-23)24-26(36-4)20(35-3)13-39-24/h7-13H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O4S7/c1-33-17-10-35-15-8-13-16(7-12(15)17)36-23(22(13)34-2)27-29(40-6)28(39-5)26(42-27)21-20-19(31-43-32-20)14(9-30-21)24-25(38-4)18(37-3)11-41-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O2S9/c1-33-15-10-39-16-8-13-17(7-12(15)16)41-26(22(13)34-2)29-28(38-6)27(37-5)25(42-29)21-20-19(31-43-32-20)14(9-30-21)23-24(36-4)18(35-3)11-40-23/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C27H19N3O2S7/c1-33-18-11-37-22(24(18)34-2)14-10-28-21(20-19(14)29-39-30-20)25-27(36-4)26(35-3)23(38-25)17-9-13-8-15-12(5-6-31-15)7-16(13)32-17/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C31H29N5O2S7/c1-35-12-19(37-3)14-9-18-15(10-17(14)35)25(38-4)24(36(18)2)29-31(42-8)30(41-7)28(44-29)23-22-21(33-45-34-22)16(11-32-23)26-27(40-6)20(39-5)13-43-26/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C26H12N6O2Se4Si2/c1-3-27-20(19-10(1)29-33-31-19)12-6-17-26(38-12)25-15(40-17)5-11(36-25)9-8-28-21(22-18(9)30-34-32-22)13-7-16-24(37-13)23-14(39-16)2-4-35-23/h1-8H,39-40H2


key: InChI
value:
  InChI=1S/C27H19N3S9/c1-31-18-11-36-22(23(18)32-2)14-10-28-21(20-19(14)29-39-30-20)25-27(34-4)26(33-3)24(38-25)17-9-13-8-15-12(5-6-35-15)7-16(13)37-17/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C31H29N5S9/c1-35-12-19(37-3)14-9-18-15(10-17(14)35)25(39-5)24(36(18)2)29-31(42-8)30(41-7)28(44-29)23-22-21(33-45-34-22)16(11-32-23)26-27(40-6)20(38-4)13-43-26/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O2S9/c1-35-17-10-33-15-8-13-16(7-12(15)17)34-22(23(13)37-3)27-29(40-6)28(39-5)26(42-27)21-20-19(31-43-32-20)14(9-30-21)24-25(38-4)18(36-2)11-41-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3S11/c1-33-17-10-39-15-8-13-16(7-12(15)17)41-28(22(13)35-3)29-27(38-6)26(37-5)25(42-29)21-20-19(31-43-32-20)14(9-30-21)23-24(36-4)18(34-2)11-40-23/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C32H26N8O8/c1-39-35-16-7-9-33-26(25(16)37-39)19-12-23(44-6)32(48-19)31-21(42-4)11-18(46-31)15-14-34-27(28-24(15)36-40(2)38-28)20-13-22(43-5)30(47-20)29-17(41-3)8-10-45-29/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O2S9/c1-33-20-12-7-8-39-22(12)21(34-2)13-9-15(41-23(13)20)26-28(37-5)29(38-6)27(42-26)19-18-17(31-43-32-18)14(10-30-19)24-25(36-4)16(35-3)11-40-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C36H38N12/c1-19-12-14-43(5)33(19)34-21(3)16-27(45(34)7)31-32-28(40-48(10)42-32)23(18-38-31)25-15-20(2)35(44(25)6)36-22(4)17-26(46(36)8)30-29-24(11-13-37-30)39-47(9)41-29/h11-18H,1-10H3


key: InChI
value:
  InChI=1S/C29H21F2N3O2S9/c1-35-19-13-11(30)8-41-23(13)20(36-2)14-15(31)25(43-24(14)19)29-28(40-6)27(39-5)26(44-29)18-17-16(33-45-34-17)10(7-32-18)21-22(38-4)12(37-3)9-42-21/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O2S9/c1-12-10-41-26-16(12)21(35-3)27-17(22(26)36-4)13(2)23(43-27)31-30(40-8)29(39-7)28(44-31)20-19-18(33-45-34-19)14(9-32-20)24-25(38-6)15(37-5)11-42-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O4S7/c1-37-12-15(39-3)17-22(37)26(41-5)18-23(25(17)40-4)38(2)24(27(18)42-6)31-33(46-10)32(45-9)30(48-31)21-20-19(35-49-36-20)14(11-34-21)28-29(44-8)16(43-7)13-47-28/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27F2N5O2S7/c1-37-10-13(32)15-21(37)25(40-4)16-17(33)23(38(2)22(16)24(15)39-3)29-31(44-8)30(43-7)28(46-29)20-19-18(35-47-36-19)12(9-34-20)26-27(42-6)14(41-5)11-45-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3O4S7/c1-33-20-12-7-8-35-22(12)21(34-2)13-9-15(36-23(13)20)25-28(39-5)29(40-6)27(42-25)19-18-17(31-43-32-18)14(10-30-19)24-26(38-4)16(37-3)11-41-24/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C29H21F2N3O4S7/c1-35-19-13-11(30)8-37-21(13)20(36-2)14-15(31)23(38-22(14)19)27-29(42-6)28(41-5)26(44-27)18-17-16(33-45-34-17)10(7-32-18)24-25(40-4)12(39-3)9-43-24/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C33H33N5O2S9/c1-37-12-15(41-5)17-22(37)26(40-4)18-23(25(17)39-3)38(2)24(29(18)44-8)31-33(46-10)32(45-9)30(48-31)21-20-19(35-49-36-20)14(11-34-21)27-28(43-7)16(42-6)13-47-27/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O4S9/c1-35-20-15-13(39-3)10-37-22(15)21(36-2)16-23(20)38-24(27(16)42-6)29-31(44-8)30(43-7)28(46-29)19-18-17(33-47-34-18)12(9-32-19)25-26(41-5)14(40-4)11-45-25/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O2S11/c1-35-20-15-13(37-3)10-44-24(15)21(36-2)16-25(20)45-30(26(16)40-6)31-29(42-8)28(41-7)27(46-31)19-18-17(33-47-34-18)12(9-32-19)22-23(39-5)14(38-4)11-43-22/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C29H23N3S11/c1-33-16-11-40-23(25(16)36-4)14-10-30-19(18-17(14)31-43-32-18)27-29(38-6)28(37-5)26(42-27)15-9-13-21(35-3)22-12(7-8-39-22)20(34-2)24(13)41-15/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C33H33N5S9/c1-14-12-37(3)24-18(14)28(41-7)25-19(29(24)42-8)15(2)23(38(25)4)31-33(44-10)32(43-9)30(46-31)22-21-20(35-47-36-21)16(11-34-22)26-27(40-6)17(39-5)13-45-26/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O2S9/c1-12-10-35-22-16(12)26(39-5)23-17(27(22)40-6)13(2)21(36-23)29-31(42-8)30(41-7)28(44-29)20-19-18(33-45-34-19)14(9-32-20)24-25(38-4)15(37-3)11-43-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H29N5S9/c1-35-10-9-14-22(35)25(39-5)15-11-17(36(2)23(15)24(14)38-4)27-30(41-7)31(42-8)29(44-27)21-20-19(33-45-34-20)16(12-32-21)26-28(40-6)18(37-3)13-43-26/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O2S9/c1-37-12-15(39-3)17-22(37)29(44-8)18-23(28(17)43-7)38(2)24(25(18)40-4)31-33(46-10)32(45-9)30(48-31)21-20-19(35-49-36-20)14(11-34-21)26-27(42-6)16(41-5)13-47-26/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C29H21F2N3S11/c1-35-12-9-42-19(20(12)36-2)10-7-32-18(17-16(10)33-45-34-17)26-27(39-5)28(40-6)29(44-26)25-15(31)14-22(38-4)23-13(11(30)8-41-23)21(37-3)24(14)43-25/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C29H23N3O2S9/c1-35-16-11-41-24(26(16)38-4)14-10-30-19(18-17(14)31-43-32-18)27-29(40-6)28(39-5)25(42-27)15-9-13-21(34-15)22(36-2)12-7-8-33-20(12)23(13)37-3/h7-11H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3S11/c1-12-10-41-26-16(12)24(37-5)27-17(25(26)38-6)13(2)21(43-27)31-30(40-8)29(39-7)28(44-31)20-19-18(33-45-34-19)14(9-32-20)22-23(36-4)15(35-3)11-42-22/h9-11H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1ccccc1)c(c(c1nccc2c1nn(n2)C)n3C)C)c1ccccc1)C)c1c(c2c(c(c3c(c2c2ccccc2)n(cc3C)C)c2ccccc2)n1C)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(cnc2c1c(C)c2c(n1C)c(c1ccccc1)c1c(c2c2ccccc2)n(C)cc1C)c1c(C)c2c(n1C)c(c1ccccc1)c1c(c2c2ccccc2)n(C)c(c1C)c1nccc2c1nn(n2)C	


key: InChI
value:
  InChI=1S/C64H54N12/c1-35-34-71(5)61-45(35)49(39-23-15-11-16-24-39)62-47(50(61)40-25-17-12-18-26-40)37(3)60(74(62)8)57-55-53(68-76(10)70-55)43(33-66-57)58-36(2)46-51(41-27-19-13-20-28-41)64-48(52(63(46)72(58)6)42-29-21-14-22-30-42)38(4)59(73(64)7)56-54-44(31-32-65-56)67-75(9)69-54/h11-34H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O4S9/c1-35-13-10-37-21-15(13)26(41-5)22-16(27(21)42-6)20(36-2)23(38-22)29-31(44-8)30(43-7)28(46-29)19-18-17(33-47-34-18)12(9-32-19)24-25(40-4)14(39-3)11-45-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O2S11/c1-37-13-10-35-20-15(13)25(40-4)21-16(26(20)41-5)27(42-6)22(36-21)29-31(44-8)30(43-7)28(46-29)19-18-17(33-47-34-18)12(9-32-19)23-24(39-3)14(38-2)11-45-23/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C32H26N8S4/c1-15-8-10-41-29(15)30-17(3)12-23(43-30)27-28-24(36-40(6)38-28)19(14-34-27)21-11-16(2)31(42-21)32-18(4)13-22(44-32)26-25-20(7-9-33-26)35-39(5)37-25/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C31H27N3O2S11/c1-35-13-10-43-25-15(13)23(39-5)26-16(24(25)40-6)20(36-2)28(45-26)31-30(42-8)29(41-7)27(46-31)19-18-17(33-47-34-18)12(9-32-19)21-22(38-4)14(37-3)11-44-21/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3S13/c1-35-13-10-44-25-15(13)22(38-4)26-16(23(25)39-5)24(40-6)30(45-26)31-29(42-8)28(41-7)27(46-31)19-18-17(33-47-34-18)12(9-32-19)20-21(37-3)14(36-2)11-43-20/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C32H26F4N12/c1-43-10-8-16(33)29(43)30-18(35)12-23(45(30)3)27-28-24(40-48(6)42-28)15(14-38-27)21-11-17(34)31(44(21)2)32-19(36)13-22(46(32)4)26-25-20(7-9-37-26)39-47(5)41-25/h7-14H,1-6H3


key: InChI
value:
  InChI=1S/C31H29N5O2S7/c1-35-10-9-14-22(35)25(38-4)15-11-17(36(2)23(15)24(14)37-3)27-30(41-7)31(42-8)29(44-27)21-20-19(33-45-34-20)16(12-32-21)26-28(40-6)18(39-5)13-43-26/h9-13H,1-8H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2ccccc2)n(c(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3ccccc3)n(cc4F)C)c3ccccc3)n2C)F)C)c2ccccc2)n1C)F	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(cnc2c1c(F)c2c(n1C)c(c1ccccc1)c1c(c2c2ccccc2)n(C)cc1F)c1c(F)c2c(n1C)c(c1ccccc1)c1c(c2c2ccccc2)n(C)c(c1F)c1nccc2c1nn(n2)C	


key: InChI
value:
  InChI=1S/C60H42F4N12/c1-71-30-36(61)42-38(31-19-11-7-12-20-31)56-43(39(55(42)71)32-21-13-8-14-22-32)47(63)60(73(56)3)53-51-49(68-76(6)70-51)35(29-66-53)54-46(62)44-40(33-23-15-9-16-24-33)58-45(41(57(44)72(54)2)34-25-17-10-18-26-34)48(64)59(74(58)4)52-50-37(27-28-65-52)67-75(5)69-50/h7-30H,1-6H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1ccccc1)c(c(c1nccc2c1nn(n2)C)o3)C)c1ccccc1)C)c1c(c2c(c(c3c(c2c2ccccc2)occ3C)c2ccccc2)o1)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1oc2c(c1C)c(c1ccccc1)c1c(c2c2ccccc2)c(C)c(o1)c1nccc2c1nn(n2)C)c1oc2c(c1C)c(c1ccccc1)c1c(c2c2ccccc2)c(C)co1	


key: InChI
value:
  InChI=1S/C60H42N8O4/c1-31-30-69-57-41(31)45(35-19-11-7-12-20-35)58-43(46(57)36-21-13-8-14-22-36)33(3)56(72-58)53-51-49(64-68(6)66-51)39(29-62-53)54-32(2)42-47(37-23-15-9-16-24-37)60-44(48(59(42)70-54)38-25-17-10-18-26-38)34(4)55(71-60)52-50-40(27-28-61-52)63-67(5)65-50/h7-30H,1-6H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2ccccc2)oc(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3ccccc3)occ4F)c3ccccc3)o2)F)c2ccccc2)o1)F	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1oc2c(c1F)c(c1ccccc1)c1c(c2c2ccccc2)c(F)c(o1)c1nccc2c1nn(n2)C)c1oc2c(c1F)c(c1ccccc1)c1c(c2c2ccccc2)c(F)co1	


key: InChI
value:
  InChI=1S/C56H30F4N8O4/c1-67-63-33-23-24-61-48(46(33)65-67)55-44(60)41-37(30-21-13-6-14-22-30)53-40(36(54(41)72-55)29-19-11-5-12-20-29)42(58)50(70-53)31-25-62-49(47-45(31)64-68(2)66-47)56-43(59)39-35(28-17-9-4-10-18-28)51-38(32(57)26-69-51)34(52(39)71-56)27-15-7-3-8-16-27/h3-26H,1-2H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2ccccc2)sc(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3ccccc3)scc4F)c3ccccc3)s2)F)c2ccccc2)s1)F	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1sc2c(c1F)c(c1ccccc1)c1c(c2c2ccccc2)c(F)c(s1)c1nccc2c1nn(n2)C)c1sc2c(c1F)c(c1ccccc1)c1c(c2c2ccccc2)c(F)cs1	


key: InChI
value:
  InChI=1S/C56H30F4N8S4/c1-67-63-33-23-24-61-48(46(33)65-67)55-44(60)41-37(30-21-13-6-14-22-30)53-40(36(54(41)72-55)29-19-11-5-12-20-29)42(58)50(70-53)31-25-62-49(47-45(31)64-68(2)66-47)56-43(59)39-35(28-17-9-4-10-18-28)51-38(32(57)26-69-51)34(52(39)71-56)27-15-7-3-8-16-27/h3-26H,1-2H3


key: InChI
value:
  InChI=1S/C32H26N8O4S4/c1-39-35-16-7-9-33-26(25(16)37-39)22-13-20(44-6)32(48-22)31-18(42-4)11-21(46-31)15-14-34-27(28-24(15)36-40(2)38-28)23-12-19(43-5)30(47-23)29-17(41-3)8-10-45-29/h7-14H,1-6H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2C)oc(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3C)occ4F)C)o2)F)C)o1)F	


key: InChI
value:
  InChI=1S/C36H22F4N8O4/c1-11-18-16(37)10-49-30(18)12(2)19-23(39)36(51-31(11)19)29-27-25(44-48(6)46-27)15(9-42-29)34-22(38)20-13(3)33-21(14(4)32(20)50-34)24(40)35(52-33)28-26-17(7-8-41-28)43-47(5)45-26/h7-10H,1-6H3


key: InChI
value:
  InChI=1S/C32H30N12/c1-39-17-7-8-22(39)23-11-13-27(41(23)3)31-32-28(36-44(6)38-32)19(18-34-31)21-9-10-24(40(21)2)25-12-14-26(42(25)4)30-29-20(15-16-33-30)35-43(5)37-29/h7-18H,1-6H3


key: InChI
value:
  InChI=1S/C32H26N8S8/c1-39-35-16-7-9-33-26(25(16)37-39)19-12-23(44-6)32(48-19)31-21(42-4)11-18(46-31)15-14-34-27(28-24(15)36-40(2)38-28)20-13-22(43-5)30(47-20)29-17(41-3)8-10-45-29/h7-14H,1-6H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2s1)C)c(c(c1nccc2c1nn(n2)C)s3)C)C)C)c1c(c2c(c(c3c(c2C)scc3C)C)s1)C	


key: InChI
value:
  InChI=1S/C40H34N8S4/c1-15-14-49-35-18(4)27-21(7)40(51-36(27)16(2)25(15)35)33-31-29(44-48(10)46-31)23(13-42-33)34-17(3)26-19(5)38-28(20(6)37(26)50-34)22(8)39(52-38)32-30-24(11-12-41-32)43-47(9)45-30/h11-14H,1-10H3


key: InChI
value:
  InChI=1S/C36H38N12S4/c1-43-14-12-24(49-7)33(43)34-26(51-9)17-23(45(34)3)31-32-28(40-48(6)42-32)19(18-38-31)21-15-25(50-8)35(44(21)2)36-27(52-10)16-22(46(36)4)30-29-20(11-13-37-30)39-47(5)41-29/h11-18H,1-10H3


key: InChI
value:
  InChI=1S/C36H38N12O4/c1-43-14-12-24(49-7)33(43)34-26(51-9)17-23(45(34)3)31-32-28(40-48(6)42-32)19(18-38-31)21-15-25(50-8)35(44(21)2)36-27(52-10)16-22(46(36)4)30-29-20(11-13-37-30)39-47(5)41-29/h11-18H,1-10H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2C)n(c(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3C)n(cc4F)C)C)n2C)F)C)C)n1C)F	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c2c(c1F)c(C)c1c(c2C)c(F)c(n1C)c1nccc2c1nn(n2)C)c1n(C)c2c(c1F)c(C)c1c(c2C)c(F)cn1C	


key: InChI
value:
  InChI=1S/C40H34F4N12/c1-15-22-20(41)14-51(5)34(22)16(2)23-27(43)40(53(7)35(15)23)33-31-29(48-56(10)50-31)19(13-46-33)38-26(42)24-17(3)37-25(18(4)36(24)52(38)6)28(44)39(54(37)8)32-30-21(11-12-45-32)47-55(9)49-30/h11-14H,1-10H3


key: InChI
value:
  InChI=1S/C36H26N8S4/c1-15-19-8-10-45-33(19)16(2)21-12-27(48-34(15)21)31-32-28(40-44(6)42-32)23(14-38-31)25-11-20-17(3)36-22(18(4)35(20)46-25)13-26(47-36)30-29-24(7-9-37-30)39-43(5)41-29/h7-14H,1-6H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2F)n(c(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3F)n(cc4F)C)F)n2C)F)C)F)n1C)F	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c2c(c1F)c(F)c1c(c2F)c(F)c(n1C)c1nccc2c1nn(n2)C)c1n(C)c2c(c1F)c(F)c1c(c2F)c(F)cn1C	


key: InChI
value:
  InChI=1S/C36H22F8N12/c1-51-10-12(37)14-18(38)32-16(20(40)31(14)51)23(43)36(53(32)3)29-27-25(48-56(6)50-27)11(9-46-29)30-19(39)15-21(41)34-17(22(42)33(15)52(30)2)24(44)35(54(34)4)28-26-13(7-8-45-28)47-55(5)49-26/h7-10H,1-6H3


key: InChI
value:
  InChI=1S/C34H36N6O4S4/c1-15-14-43-30-19(15)28(41-6)31-20(29(30)42-7)16(2)27(44-31)26-34(48-11)33(47-10)25(39(26)4)23-22-21(36-40(5)37-22)17(12-35-23)24-32(46-9)18(45-8)13-38(24)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C32H32N6O4S4/c1-36-14-19(43-6)30(44-7)23(36)17-13-33-22(21-20(17)34-38(3)35-21)25-32(46-9)31(45-8)24(37(25)2)18-12-16-27(40-5)28-15(10-11-41-28)26(39-4)29(16)42-18/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C32H30F2N6O4S4/c1-38-11-15(45-6)30(46-7)22(38)13-10-35-21(20-19(13)36-40(3)37-20)23-31(47-8)32(48-9)24(39(23)2)29-18(34)17-26(42-5)27-16(14(33)12-43-27)25(41-4)28(17)44-29/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C34H36N6O2S6/c1-15-14-47-31-19(15)27(41-6)32-20(28(31)42-7)16(2)29(48-32)26-34(46-11)33(45-10)25(39(26)4)23-22-21(36-40(5)37-22)17(12-35-23)24-30(44-9)18(43-8)13-38(24)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C32H32N6O2S6/c1-36-14-19(41-6)30(42-7)23(36)17-13-33-22(21-20(17)34-38(3)35-21)25-32(44-9)31(43-8)24(37(25)2)18-12-16-27(40-5)28-15(10-11-45-28)26(39-4)29(16)46-18/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C34H36N6O4S6/c1-38-13-17(45-8)29(46-9)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-33(47-10)34(48-11)25(39(24)2)32-28(44-7)19-27(43-6)30-18(16(41-4)14-49-30)26(42-5)31(19)50-32/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C32H30F2N6O2S6/c1-38-11-15(43-6)27(44-7)22(38)13-10-35-21(20-19(13)36-40(3)37-20)23-31(45-8)32(46-9)24(39(23)2)30-18(34)17-26(42-5)28-16(14(33)12-47-28)25(41-4)29(17)48-30/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C36H42N8O2S4/c1-17-15-40(3)28-21(17)32(45-8)29-22(33(28)46-9)18(2)26(42(29)5)31-36(50-13)35(49-12)30(43(31)6)25-24-23(38-44(7)39-24)19(14-37-25)27-34(48-11)20(47-10)16-41(27)4/h14-16H,1-13H3


key: InChI
value:
  InChI=1S/C34H36N6S8/c1-15-14-47-31-19(15)29(43-8)32-20(30(31)44-9)16(2)27(48-32)26-34(46-11)33(45-10)25(39(26)4)23-22-21(36-40(5)37-22)17(12-35-23)24-28(42-7)18(41-6)13-38(24)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C32H30F2N6O2S6/c1-38-11-15(43-4)28(44-5)22(38)13-10-35-21(20-19(13)36-40(3)37-20)23-31(47-8)32(48-9)24(39(23)2)27-18(34)17-26(42-27)29(45-6)16-14(33)12-41-25(16)30(17)46-7/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C34H36N6O2S8/c1-38-13-16(43-6)28(45-8)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-32(47-10)33(48-11)25(39(24)2)34-31(46-9)19-27(42-5)29-18(17(44-7)14-49-29)26(41-4)30(19)50-34/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C34H36N6O6S4/c1-38-13-17(47-8)32(48-9)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-33(49-10)34(50-11)25(39(24)2)31-28(44-7)19-27(43-6)29-18(16(41-4)14-45-29)26(42-5)30(19)46-31/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C32H32N6S8/c1-36-14-19(39-4)30(42-7)23(36)17-13-33-22(21-20(17)34-38(3)35-21)25-32(44-9)31(43-8)24(37(25)2)18-12-16-27(41-6)28-15(10-11-45-28)26(40-5)29(16)46-18/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C34H38N8O2S4/c1-38-13-12-17-25(38)31(44-7)18-14-20(40(3)26(18)30(17)43-6)28-33(47-10)34(48-11)29(41(28)4)24-23-22(36-42(5)37-23)19(15-35-24)27-32(46-9)21(45-8)16-39(27)2/h12-16H,1-11H3


key: InChI
value:
  InChI=1S/C36H42N8O4S4/c1-40-15-18(45-6)20-26(40)32(47-8)21-27(31(20)46-7)42(3)29(33(21)48-9)30-36(52-13)35(51-12)28(43(30)4)24-23-22(38-44(5)39-23)17(14-37-24)25-34(50-11)19(49-10)16-41(25)2/h14-16H,1-13H3


key: InChI
value:
  InChI=1S/C34H36N6O2S6/c1-15-14-41-28-19(15)31(45-8)29-20(32(28)46-9)16(2)27(42-29)26-34(48-11)33(47-10)25(39(26)4)23-22-21(36-40(5)37-22)17(12-35-23)24-30(44-7)18(43-6)13-38(24)3/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C32H30F2N6S8/c1-38-11-15(41-4)25(42-5)22(38)13-10-35-21(20-19(13)36-40(3)37-20)23-31(45-8)32(46-9)24(39(23)2)30-18(34)17-27(44-7)28-16(14(33)12-47-28)26(43-6)29(17)48-30/h10-12H,1-9H3


key: InChI
value:
  InChI=1S/C32H32N6O2S6/c1-36-14-19(41-4)30(44-7)23(36)17-13-33-22(21-20(17)34-38(3)35-21)25-32(46-9)31(45-8)24(37(25)2)18-12-16-27(40-18)28(42-5)15-10-11-39-26(15)29(16)43-6/h10-14H,1-9H3


key: InChI
value:
  InChI=1S/C34H36N6O4S6/c1-38-13-17(45-6)30(46-7)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-33(49-10)34(50-11)25(39(24)2)29-26(42-5)19-28(44-29)31(47-8)18-16(41-4)14-43-27(18)32(19)48-9/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C34H36N6O2S8/c1-38-13-17(43-6)27(44-7)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-33(47-10)34(48-11)25(39(24)2)32-26(42-5)19-29(46-9)30-18(16(41-4)14-49-30)28(45-8)31(19)50-32/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C34H36N6O2S8/c1-38-13-16(43-4)29(45-6)23(38)15-12-35-22(21-20(15)36-40(3)37-21)24-33(49-10)34(50-11)25(39(24)2)28-32(48-9)19-27(42-28)30(46-7)18-17(44-5)14-41-26(18)31(19)47-8/h12-14H,1-11H3


key: InChI
value:
  InChI=1S/C31H27N3O3S6/c1-12-11-42-26-14(3)19-15(4)28(43-27(19)13(2)18(12)26)25-31(41-8)30(40-7)24(36-25)22-21-20(33-37-34-21)16(9-32-22)23-29(39-6)17(38-5)10-35-23/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O3S8/c1-12-17-16(39-4)11-44-25(17)13(2)18-26(12)45-31(28(18)41-6)24-30(43-8)29(42-7)23(36-24)21-20-19(33-37-34-20)14(9-32-21)22-27(40-5)15(38-3)10-35-22/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C27H19N3O5S4/c1-36-18-11-32-22(25(18)37-2)14-10-28-21(20-19(14)29-35-30-20)24-27(39-4)26(38-3)23(34-24)17-9-13-8-15-12(5-6-31-15)7-16(13)33-17/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C27H19N3O3S6/c1-34-18-11-31-22(25(18)35-2)14-10-28-21(20-19(14)29-33-30-20)24-27(37-4)26(36-3)23(32-24)17-9-13-8-15-12(5-6-38-15)7-16(13)39-17/h5-11H,1-4H3


key: InChI
value:
  InChI=1S/C31H29N5O3S6/c1-35-12-19(40-3)14-9-18-15(10-17(14)35)28(42-5)24(36(18)2)27-31(45-8)30(44-7)26(38-27)23-22-21(33-39-34-22)16(11-32-23)25-29(43-6)20(41-4)13-37-25/h9-13H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O5S4/c1-14-12-37(3)24-18(14)27(39-5)25-19(28(24)40-6)15(2)23(38(25)4)30-33(47-10)32(46-9)29(42-30)22-21-20(35-43-36-21)16(11-34-22)26-31(45-8)17(44-7)13-41-26/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C29H21F2N3O7S4/c1-35-20-13-11(30)8-37-22(13)21(36-2)14-15(31)24(39-23(14)20)26-29(45-6)28(44-5)25(40-26)18-17-16(33-41-34-17)10(7-32-18)19-27(43-4)12(42-3)9-38-19/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C33H33N5O7S4/c1-37-12-15(39-3)17-22(37)27(41-5)18-23(26(17)40-4)38(2)24(28(18)42-6)30-33(49-10)32(48-9)29(44-30)21-20-19(35-45-36-20)14(11-34-21)25-31(47-8)16(46-7)13-43-25/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C29H21F2N3O5S6/c1-40-12-9-36-19(25(12)41-2)10-7-32-18(17-16(10)33-39-34-17)23-28(44-5)29(45-6)24(38-23)22-15(31)14-21(37-22)26(42-3)13-11(30)8-35-20(13)27(14)43-4/h7-9H,1-6H3


key: InChI
value:
  InChI=1S/C33H33N5O3S8/c1-37-12-15(42-3)17-22(37)30(46-7)18-23(29(17)45-6)38(2)24(31(18)47-8)27-33(49-10)32(48-9)26(40-27)21-20-19(35-41-36-20)14(11-34-21)25-28(44-5)16(43-4)13-39-25/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27F2N5S7/c1-12-10-37(3)24-16(12)18(32)25-17(19(24)33)13(2)23(38(25)4)29-31(42-8)30(41-7)28(44-29)22-21-20(35-45-36-21)14(9-34-22)26-27(40-6)15(39-5)11-43-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C33H33N5O2S7/c1-14-12-37(3)24-18(14)26(39-5)25-19(27(24)40-6)15(2)23(38(25)4)31-33(44-10)32(43-9)30(46-31)22-21-20(35-47-36-21)16(11-34-22)28-29(42-8)17(41-7)13-45-28/h11-13H,1-10H3


key: InChI
value:
  InChI=1S/C31H27N3O4S7/c1-12-10-37-24-16(12)22(35-3)25-17(23(24)36-4)13(2)21(38-25)29-31(42-8)30(41-7)28(44-29)20-19-18(33-45-34-19)14(9-32-20)26-27(40-6)15(39-5)11-43-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O6S7/c1-35-13-10-39-23-15(13)20(36-2)24-16(21(23)37-3)22(38-4)25(40-24)29-31(44-8)30(43-7)28(46-29)19-18-17(33-47-34-18)12(9-32-19)26-27(42-6)14(41-5)11-45-26/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27N3O4S9/c1-35-13-10-43-25-15(13)20(36-2)26-16(21(25)37-3)22(38-4)28(45-26)31-30(42-8)29(41-7)27(46-31)19-18-17(33-47-34-18)12(9-32-19)23-24(40-6)14(39-5)11-44-23/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C31H27F2N5S9/c1-37-10-13(32)15-21(37)27(42-6)16-17(33)23(38(2)22(16)26(15)41-5)29-31(44-8)30(43-7)28(46-29)20-19-18(35-47-36-19)12(9-34-20)24-25(40-4)14(39-3)11-45-24/h9-11H,1-8H3


key: InChI
value:
  InChI=1S/C32H26N8O4/c1-15-8-10-41-29(15)30-17(3)12-23(43-30)27-28-24(36-40(6)38-28)19(14-34-27)21-11-16(2)31(42-21)32-18(4)13-22(44-32)26-25-20(7-9-33-26)35-39(5)37-25/h7-14H,1-6H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2C)sc(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3C)scc4F)C)s2)F)C)s1)F	


key: InChI
value:
  InChI=1S/C36H22F4N8S4/c1-11-18-16(37)10-49-30(18)12(2)19-23(39)36(51-31(11)19)29-27-25(44-48(6)46-27)15(9-42-29)34-22(38)20-13(3)33-21(14(4)32(20)50-34)24(40)35(52-33)28-26-17(7-8-41-28)43-47(5)45-26/h7-10H,1-6H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2C)sc(c3SC)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3C)scc4SC)C)s2)SC)C)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(C)c1sc(c(c1c2C)SC)c1nccc2c1nn(n2)C)c1cnc(c2c1nn(n2)C)c1sc2c(c1SC)c(C)c1c(c2C)c(SC)cs1	


key: InChI
value:
  InChI=1S/C40H34N8S8/c1-15-22-21(49-7)14-53-31(22)16(2)23-32(15)55-40(37(23)51-9)30-28-26(44-48(6)46-28)19(13-42-30)35-36(50-8)24-17(3)34-25(18(4)33(24)54-35)38(52-10)39(56-34)29-27-20(11-12-41-29)43-47(5)45-27/h11-14H,1-10H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2SC)oc(c3F)c2cnc(c3c2nn(n3)C)C2=C([C]3C(=C([C]4C(=C3SC)OC=C4F)SC)O2)F)SC)o1)F	


key: CAN_SMILES
value:
  CSC1=C2OC(=C([C]2C(=C2[C]1C(=CO2)F)SC)F)c1ncc(c2c1nn(n2)C)c1oc2c(c1F)c(SC)c1c(c2SC)c(F)c(o1)c1nccc2c1nn(n2)C	


key: InChI
value:
  InChI=1S/C36H22F4N8O4S4/c1-47-43-13-7-8-41-24(22(13)45-47)31-20(40)17-30(52-31)35(55-5)15-18(38)26(50-29(15)36(17)56-6)11-9-42-25(23-21(11)44-48(2)46-23)32-19(39)16-28(51-32)33(53-3)14-12(37)10-49-27(14)34(16)54-4/h7-10H,1-6H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2s1)c1ccccc1)c(c(c1nccc2c1nn(n2)C)s3)C)c1ccccc1)C)c1c(c2c(c(c3c(c2c2ccccc2)scc3C)c2ccccc2)s1)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1sc2c(c1C)c(c1ccccc1)c1c(c2c2ccccc2)c(C)c(s1)c1nccc2c1nn(n2)C)c1sc2c(c1C)c(c1ccccc1)c1c(c2c2ccccc2)c(C)cs1	


key: InChI
value:
  InChI=1S/C60H42N8S4/c1-31-30-69-57-41(31)45(35-19-11-7-12-20-35)58-43(46(57)36-21-13-8-14-22-36)33(3)56(72-58)53-51-49(64-68(6)66-51)39(29-62-53)54-32(2)42-47(37-23-15-9-16-24-37)60-44(48(59(42)70-54)38-25-17-10-18-26-38)34(4)55(71-60)52-50-40(27-28-61-52)63-67(5)65-50/h7-30H,1-6H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2s1)OC)c(c(c1nccc2c1nn(n2)C)s3)OC)OC)OC)c1c(c2c(c(c3c(c2OC)scc3OC)OC)s1)OC	


key: CAN_SMILES
value:
  COc1c(sc2c1c(OC)c1c(c2OC)c(c(s1)c1nccc2c1nn(n2)C)OC)c1cnc(c2c1nn(n2)C)c1sc2c(c1OC)c(OC)c1c(c2OC)c(OC)cs1	


key: InChI
value:
  InChI=1S/C40H34N8O8S4/c1-47-43-16-11-12-41-25(23(16)45-47)39-33(56-10)21-31(54-8)37-19(30(53-7)38(21)60-39)28(51-5)34(58-37)15-13-42-26(24-22(15)44-48(2)46-24)40-32(55-9)20-29(52-6)35-18(17(49-3)14-57-35)27(50-4)36(20)59-40/h11-14H,1-10H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2OC)sc(c3SC)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3OC)scc4SC)OC)s2)SC)OC)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(OC)c1c(c2OC)c(c(s1)c1nccc2c1nn(n2)C)SC)c1cnc(c2c1nn(n2)C)c1sc2c(c1SC)c(OC)c1c(c2OC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C40H34N8O4S8/c1-47-43-16-11-12-41-25(23(16)45-47)39-38(56-10)21-30(52-6)34-20(29(51-5)35(21)60-39)36(54-8)31(58-34)15-13-42-26(24-22(15)44-48(2)46-24)40-37(55-9)19-28(50-4)32-18(17(53-7)14-57-32)27(49-3)33(19)59-40/h11-14H,1-10H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2SC)sc(c3C)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3SC)scc4C)SC)s2)C)SC)s1)C	


key: CAN_SMILES
value:
  CSc1c2c(C)c(sc2c(c2c1sc(c2C)c1nccc2c1nn(n2)C)SC)c1cnc(c2c1nn(n2)C)c1sc2c(c1C)c(SC)c1c(c2SC)c(C)cs1	


key: InChI
value:
  InChI=1S/C40H34N8S8/c1-15-14-53-37-21(15)33(49-7)38-23(34(37)50-8)17(3)32(56-38)29-27-25(44-48(6)46-27)19(13-42-29)30-16(2)22-35(51-9)40-24(36(52-10)39(22)54-30)18(4)31(55-40)28-26-20(11-12-41-28)43-47(5)45-26/h11-14H,1-10H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2SC)sc(c3SC)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3SC)scc4SC)SC)s2)SC)SC)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(SC)c1c(c2SC)c(c(s1)c1nccc2c1nn(n2)C)SC)c1cnc(c2c1nn(n2)C)c1sc2c(c1SC)c(SC)c1c(c2SC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C40H34N8S12/c1-47-43-16-11-12-41-25(23(16)45-47)39-34(56-10)21-32(54-8)37-19(31(53-7)38(21)60-39)29(51-5)27(58-37)15-13-42-26(24-22(15)44-48(2)46-24)40-33(55-9)20-30(52-6)35-18(17(49-3)14-57-35)28(50-4)36(20)59-40/h11-14H,1-10H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1nn(n2)C)n3C)C)c1cc(c(c(c1)C)C)C)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)n(cc3C)C)c2cc(c(c(c2)C)C)C)n1C)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c2c(c1C)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(C)c(n1C)c1nccc2c1nn(n2)C)c1n(C)c2c(c1C)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(C)cn1C	


key: InChI
value:
  InChI=1S/C76H78N12/c1-35-25-51(26-36(2)44(35)10)61-57-43(9)34-83(17)73(57)62(52-27-37(3)45(11)38(4)28-52)59-49(15)72(86(20)74(59)61)69-67-65(80-88(22)82-67)55(33-78-69)70-48(14)58-63(53-29-39(5)46(12)40(6)30-53)76-60(64(75(58)84(70)18)54-31-41(7)47(13)42(8)32-54)50(16)71(85(76)19)68-66-56(23-24-77-68)79-87(21)81-66/h23-34H,1-22H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2s1)c1ccccc1)c(c(c1nccc2c1nn(n2)C)s3)OC)c1ccccc1)OC)c1c(c2c(c(c3c(c2c2ccccc2)scc3OC)c2ccccc2)s1)OC	


key: CAN_SMILES
value:
  COc1c(sc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(s1)c1nccc2c1nn(n2)C)OC)c1cnc(c2c1nn(n2)C)c1sc2c(c1OC)c(c1ccccc1)c1c(c2c2ccccc2)c(OC)cs1	


key: InChI
value:
  InChI=1S/C60H42N8O4S4/c1-67-63-36-27-28-61-49(47(36)65-67)59-53(72-6)45-41(34-25-17-10-18-26-34)57-44(40(58(45)76-59)33-23-15-9-16-24-33)51(70-4)54(74-57)35-29-62-50(48-46(35)64-68(2)66-48)60-52(71-5)43-39(32-21-13-8-14-22-32)55-42(37(69-3)30-73-55)38(56(43)75-60)31-19-11-7-12-20-31/h7-30H,1-6H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1cc2c(c(c3c(c2c2ccccc2)n(c(c3)c2cnc(c3c2nn(n3)C)c2cc3c(c(c4c(c3c3ccccc3)n(cc4)C)c3ccccc3)n2C)C)c2ccccc2)n1C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(cnc2c1cc2c(n1C)c(c1ccccc1)c1c(c2c2ccccc2)n(C)cc1)c1cc2c(n1C)c(c1ccccc1)c1c(c2c2ccccc2)n(C)c(c1)c1nccc2c1nn(n2)C	


key: InChI
value:
  InChI=1S/C60H46N12/c1-67-30-28-39-48(35-19-11-7-12-20-35)58-41(49(57(39)67)36-21-13-8-14-22-36)32-47(70(58)4)55-56-52(64-72(6)66-56)43(34-62-55)45-31-40-50(37-23-15-9-16-24-37)60-42(51(59(40)68(45)2)38-25-17-10-18-26-38)33-46(69(60)3)54-53-44(27-29-61-54)63-71(5)65-53/h7-34H,1-6H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1ccccc1)c(c(c1nccc2c1nn(n2)C)n3C)OC)c1ccccc1)OC)c1c(c2c(c(c3c(c2c2ccccc2)n(cc3OC)C)c2ccccc2)n1C)OC	


key: CAN_SMILES
value:
  COc1c(n(c2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(n1C)c1nccc2c1nn(n2)C)OC)C)c1cnc(c2c1nn(n2)C)c1c(OC)c2c(n1C)c(c1ccccc1)c1c(c2c2ccccc2)n(C)cc1OC	


key: InChI
value:
  InChI=1S/C64H54N12O4/c1-71-34-41(77-7)46-42(35-23-15-11-16-24-35)57-47(43(56(46)71)36-25-17-12-18-26-36)63(79-9)61(73(57)3)54-52-50(68-76(6)70-52)39(33-66-54)55-62(78-8)48-44(37-27-19-13-20-28-37)59-49(45(58(48)72(55)2)38-29-21-14-22-30-38)64(80-10)60(74(59)4)53-51-40(31-32-65-53)67-75(5)69-51/h11-34H,1-10H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1ccccc1)c(c(c1nccc2c1nn(n2)C)o3)OC)c1ccccc1)OC)c1c(c2c(c(c3c(c2c2ccccc2)occ3OC)c2ccccc2)o1)OC	


key: CAN_SMILES
value:
  COc1c(oc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(o1)c1nccc2c1nn(n2)C)OC)c1cnc(c2c1nn(n2)C)c1oc2c(c1OC)c(c1ccccc1)c1c(c2c2ccccc2)c(OC)co1	


key: InChI
value:
  InChI=1S/C60H42N8O8/c1-67-63-36-27-28-61-49(47(36)65-67)59-58(72-6)45-41(34-25-17-10-18-26-34)54-44(40(55(45)76-59)33-23-15-9-16-24-33)56(70-4)51(74-54)35-29-62-50(48-46(35)64-68(2)66-48)60-57(71-5)43-39(32-21-13-8-14-22-32)52-42(37(69-3)30-73-52)38(53(43)75-60)31-19-11-7-12-20-31/h7-30H,1-6H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1ccccc1)c(c(c1nccc2c1nn(n2)C)n3C)SC)c1ccccc1)SC)c1c(c2c(c(c3c(c2c2ccccc2)n(cc3SC)C)c2ccccc2)n1C)SC	


key: CAN_SMILES
value:
  CSc1c(n(c2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(n1C)c1nccc2c1nn(n2)C)SC)C)c1cnc(c2c1nn(n2)C)c1c(SC)c2c(n1C)c(c1ccccc1)c1c(c2c2ccccc2)n(C)cc1SC	


key: InChI
value:
  InChI=1S/C64H54N12S4/c1-71-34-41(77-7)46-42(35-23-15-11-16-24-35)57-47(43(56(46)71)36-25-17-12-18-26-36)63(79-9)61(73(57)3)54-52-50(68-76(6)70-52)39(33-66-54)55-62(78-8)48-44(37-27-19-13-20-28-37)59-49(45(58(48)72(55)2)38-29-21-14-22-30-38)64(80-10)60(74(59)4)53-51-40(31-32-65-53)67-75(5)69-51/h11-34H,1-10H3


key: InChI
value:
  InChI=1S/C34H16F4N6O2S8/c1-47-11-8-51-26-12(11)16(35)27-13(17(26)36)31(49-3)34(53-27)24-22-20(42-46-44-22)9(7-40-24)25-30(48-2)14-18(37)29-15(19(38)28(14)52-25)32(50-4)33(54-29)23-21-10(5-6-39-23)41-45-43-21/h5-8H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nn(n2)C)o3)F)c1cc(c(c(c1)OC)OC)OC)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)occ3F)c2cc(c(c(c2)OC)OC)OC)o1)F	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(F)c(oc2c(c2c1oc(c2F)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nn(n2)C)c1oc2c(c1F)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(F)co1	


key: InChI
value:
  InChI=1S/C68H54F4N8O16/c1-79-75-33-15-16-73-56(54(33)77-79)67-52(72)49-45(30-23-40(87-9)62(92-14)41(24-30)88-10)65-48(44(66(49)96-67)29-21-38(85-7)61(91-13)39(22-29)86-8)50(70)58(94-65)31-25-74-57(55-53(31)76-80(2)78-55)68-51(71)47-43(28-19-36(83-5)60(90-12)37(20-28)84-6)63-46(32(69)26-93-63)42(64(47)95-68)27-17-34(81-3)59(89-11)35(18-27)82-4/h15-26H,1-14H3


key: InChI
value:
  InChI=1S/C26H12Ge2N6O4S2/c1-3-29-20(19-14(1)31-39-33-19)16-7-13-26(38-16)25-11(28-13)5-15(36-25)9-8-30-21(22-18(9)32-40-34-22)17-6-12-24(37-17)23-10(27-12)2-4-35-23/h1-8H,27-28H2


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)F)c(c(c1nccc2c1non2)s3)OC)F)OC)c1c(c2c(c(c3c(c2F)scc3OC)F)s1)OC	


key: InChI
value:
  InChI=1S/C34H16F4N6O6S4/c1-45-11-8-51-29-12(11)16(35)30-13(17(29)36)26(47-3)34(53-30)24-22-20(42-50-44-22)9(7-40-24)28-25(46-2)14-18(37)32-15(19(38)31(14)52-28)27(48-4)33(54-32)23-21-10(5-6-39-23)41-49-43-21/h5-8H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2s1)c1ccccc1)c(c(c1nccc2c1nn(n2)C)s3)SC)c1ccccc1)SC)c1c(c2c(c(c3c(c2c2ccccc2)scc3SC)c2ccccc2)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(s1)c1nccc2c1nn(n2)C)SC)c1cnc(c2c1nn(n2)C)c1sc2c(c1SC)c(c1ccccc1)c1c(c2c2ccccc2)c(SC)cs1	


key: InChI
value:
  InChI=1S/C60H42N8S8/c1-67-63-36-27-28-61-49(47(36)65-67)59-58(72-6)45-41(34-25-17-10-18-26-34)54-44(40(55(45)76-59)33-23-15-9-16-24-33)56(70-4)51(74-54)35-29-62-50(48-46(35)64-68(2)66-48)60-57(71-5)43-39(32-21-13-8-14-22-32)52-42(37(69-3)30-73-52)38(53(43)75-60)31-19-11-7-12-20-31/h7-30H,1-6H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1ccccc1)c(c(c1nccc2c1nn(n2)C)o3)SC)c1ccccc1)SC)c1c(c2c(c(c3c(c2c2ccccc2)occ3SC)c2ccccc2)o1)SC	


key: CAN_SMILES
value:
  CSc1c(oc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(o1)c1nccc2c1nn(n2)C)SC)c1cnc(c2c1nn(n2)C)c1oc2c(c1SC)c(c1ccccc1)c1c(c2c2ccccc2)c(SC)co1	


key: InChI
value:
  InChI=1S/C60H42N8O4S4/c1-67-63-36-27-28-61-49(47(36)65-67)56-60(76-6)45-41(34-25-17-10-18-26-34)54-44(40(55(45)72-56)33-23-15-9-16-24-33)58(74-4)51(70-54)35-29-62-50(48-46(35)64-68(2)66-48)57-59(75-5)43-39(32-21-13-8-14-22-32)52-42(37(73-3)30-69-52)38(53(43)71-57)31-19-11-7-12-20-31/h7-30H,1-6H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)sc(c3C)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3cc(c(c(c3)OC)OC)OC)scc4C)c3cc(c(c(c3)OC)OC)OC)s2)C)c2cc(c(c(c2)OC)OC)OC)s1)C	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(C)c(sc2c(c2c1sc(c2C)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nn(n2)C)c1sc2c(c1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(C)cs1	


key: InChI
value:
  InChI=1S/C72H66N8O12S4/c1-31-30-93-69-49(31)53(35-21-41(81-7)62(89-15)42(22-35)82-8)70-51(54(69)36-23-43(83-9)63(90-16)44(24-36)84-10)33(3)68(96-70)61-59-57(76-80(6)78-59)39(29-74-61)66-32(2)50-55(37-25-45(85-11)64(91-17)46(26-37)86-12)72-52(34(4)67(95-72)60-58-40(19-20-73-60)75-79(5)77-58)56(71(50)94-66)38-27-47(87-13)65(92-18)48(28-38)88-14/h19-30H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nn(n2)C)n3C)F)c1cc(c(c(c1)OC)OC)OC)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)n(cc3F)C)c2cc(c(c(c2)OC)OC)OC)n1C)F	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)C)c1cnc(c2c1nn(n2)C)c1c(F)c2c(n1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)n(C)cc1F	


key: InChI
value:
  InChI=1S/C72H66F4N12O12/c1-83-30-36(73)50-46(31-21-38(89-7)69(97-15)39(22-31)90-8)64-51(47(63(50)83)32-23-40(91-9)70(98-16)41(24-32)92-10)55(75)68(85(64)3)61-59-57(80-88(6)82-59)35(29-78-61)62-54(74)52-48(33-25-42(93-11)71(99-17)43(26-33)94-12)66-53(56(76)67(86(66)4)60-58-37(19-20-77-60)79-87(5)81-58)49(65(52)84(62)2)34-27-44(95-13)72(100-18)45(28-34)96-14/h19-30H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nn(n2)C)o3)C)c1cc(c(c(c1)OC)OC)OC)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)occ3C)c2cc(c(c(c2)OC)OC)OC)o1)C	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(C)c(oc2c(c2c1oc(c2C)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nn(n2)C)c1oc2c(c1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(C)co1	


key: InChI
value:
  InChI=1S/C72H66N8O16/c1-31-30-93-69-49(31)53(35-21-41(81-7)65(89-15)42(22-35)82-8)70-51(54(69)36-23-43(83-9)66(90-16)44(24-36)84-10)33(3)64(96-70)61-59-57(76-80(6)78-59)39(29-74-61)62-32(2)50-55(37-25-45(85-11)67(91-17)46(26-37)86-12)72-52(34(4)63(95-72)60-58-40(19-20-73-60)75-79(5)77-58)56(71(50)94-62)38-27-47(87-13)68(92-18)48(28-38)88-14/h19-30H,1-18H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1cc2c([se]1)c1c([SiH2]2)cc([se]1)c1cnc(c2c1nn(n2)C)c1cc2c([se]1)c1c([SiH2]2)cc[se]1	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(cnc2c1cc2c([se]1)c1c([SiH2]2)cc[se]1)c1cc2c([se]1)c1c([SiH2]2)cc([se]1)c1nccc2c1nn(n2)C	


key: InChI
value:
  InChI=1S/C28H18N8Se4Si2/c1-35-31-12-3-5-29-22(21(12)33-35)14-8-19-28(40-14)27-17(42-19)7-13(38-27)11-10-30-23(24-20(11)32-36(2)34-24)15-9-18-26(39-15)25-16(41-18)4-6-37-25/h3-10H,41-42H2,1-2H3


key: InChI
value:
  InChI=1S/C30H20N6O6/c1-13-6-8-37-27(13)28-15(3)10-21(39-28)25-26-22(34-42-36-26)17(12-32-25)19-9-14(2)29(38-19)30-16(4)11-20(40-30)24-23-18(5-7-31-24)33-41-35-23/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C30H20N6O2S4/c1-13-6-8-39-27(13)28-15(3)10-21(41-28)25-26-22(34-38-36-26)17(12-32-25)19-9-14(2)29(40-19)30-16(4)11-20(42-30)24-23-18(5-7-31-24)33-37-35-23/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C28H18Ge2N8S4/c1-37-33-16-3-5-31-22(21(16)35-37)18-9-15-28(42-18)27-13(30-15)7-17(40-27)11-10-32-23(24-20(11)34-38(2)36-24)19-8-14-26(41-19)25-12(29-14)4-6-39-25/h3-10H,29-30H2,1-2H3


key: InChI
value:
  InChI=1S/C28H18N8S4Si2/c1-35-31-12-3-5-29-22(21(12)33-35)14-8-19-28(40-14)27-17(42-19)7-13(38-27)11-10-30-23(24-20(11)32-36(2)34-24)15-9-18-26(39-15)25-16(41-18)4-6-37-25/h3-10H,41-42H2,1-2H3


key: InChI
value:
  InChI=1S/C30H20F4N10O2/c1-41-8-6-14(31)27(41)28-16(33)10-21(43(28)3)25-26-22(38-46-40-26)13(12-36-25)19-9-15(32)29(42(19)2)30-17(34)11-20(44(30)4)24-23-18(5-7-35-24)37-45-39-23/h5-12H,1-4H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1cc2c([se]1)c1c([GeH2]2)cc([se]1)c1cnc(c2c1nn(n2)C)c1cc2c([se]1)c1c([GeH2]2)cc[se]1	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(cnc2c1cc2c([se]1)c1c([GeH2]2)cc[se]1)c1cc2c([se]1)c1c([GeH2]2)cc([se]1)c1nccc2c1nn(n2)C	


key: InChI
value:
  InChI=1S/C28H18Ge2N8Se4/c1-37-33-16-3-5-31-22(21(16)35-37)18-9-15-28(42-18)27-13(30-15)7-17(40-27)11-10-32-23(24-20(11)34-38(2)36-24)19-8-14-26(41-19)25-12(29-14)4-6-39-25/h3-10H,29-30H2,1-2H3


key: InChI
value:
  InChI=1S/C30H18N8Se4/c1-37-33-18-3-5-31-24(23(18)35-37)20-11-16-8-15-9-19(40-29(15)30(16)42-20)17-12-32-25(26-22(17)34-38(2)36-26)21-10-14-7-13-4-6-39-27(13)28(14)41-21/h3-6,9-12H,7-8H2,1-2H3


key: InChI
value:
  InChI=1S/C26H8F4N6O6/c27-10-2-4-37-23(10)24-12(29)6-17(39-24)21-22-18(34-42-36-22)9(8-32-21)15-5-11(28)25(38-15)26-13(30)7-16(40-26)20-19-14(1-3-31-20)33-41-35-19/h1-8H


key: InChI
value:
  InChI=1S/C30H18N8O4/c1-37-33-18-3-5-31-24(23(18)35-37)20-11-16-8-15-9-19(40-29(15)30(16)42-20)17-12-32-25(26-22(17)34-38(2)36-26)21-10-14-7-13-4-6-39-27(13)28(14)41-21/h3-6,9-12H,7-8H2,1-2H3


key: InChI
value:
  InChI=1S/C28H18Ge2N8O4/c1-37-33-16-3-5-31-22(21(16)35-37)17-8-15-27(42-17)28-19(30-15)12(10-40-28)11-9-32-23(24-20(11)34-38(2)36-24)18-7-14-26(41-18)25-13(29-14)4-6-39-25/h3-10H,29-30H2,1-2H3


key: InChI
value:
  InChI=1S/C28H12N6O4S2/c1-3-29-22(21-16(1)31-39-33-21)18-9-14-6-13-7-17(36-27(13)28(14)38-18)15-10-30-23(24-20(15)32-40-34-24)19-8-12-5-11-2-4-35-25(11)26(12)37-19/h1-4,7-10H,5-6H2


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1nn(n2)C)s3)SC)c1cc(c(c(c1)SC)SC)SC)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)scc3SC)c2cc(c(c(c2)SC)SC)SC)s1)SC	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(SC)c(sc2c(c2c1sc(c2SC)c1nccc2c1nn(n2)C)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nn(n2)C)c1sc2c(c1SC)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C72H66N8S20/c1-79-75-36-19-20-73-57(55(36)77-79)71-70(96-18)53-49(34-27-43(87-9)63(93-15)44(28-34)88-10)66-52(48(67(53)100-71)33-25-41(85-7)62(92-14)42(26-33)86-8)68(94-16)59(98-66)35-29-74-58(56-54(35)76-80(2)78-56)72-69(95-17)51-47(32-23-39(83-5)61(91-13)40(24-32)84-6)64-50(45(89-11)30-97-64)46(65(51)99-72)31-21-37(81-3)60(90-12)38(22-31)82-4/h19-30H,1-18H3


key: InChI
value:
  InChI=1S/C28H18N8O4Si2/c1-35-31-12-3-5-29-22(21(12)33-35)14-8-19-28(40-14)27-17(42-19)7-13(38-27)11-10-30-23(24-20(11)32-36(2)34-24)15-9-18-26(39-15)25-16(41-18)4-6-37-25/h3-10H,41-42H2,1-2H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1nn(n2)C)o3)C)c1cc(c(c(c1)C)C)C)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3C)c2cc(c(c(c2)C)C)C)o1)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1oc2c(c1C)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(C)c(o1)c1nccc2c1nn(n2)C)c1oc2c(c1C)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(C)co1	


key: InChI
value:
  InChI=1S/C72H66N8O4/c1-31-21-47(22-32(2)40(31)10)57-53-39(9)30-81-69(53)58(48-23-33(3)41(11)34(4)24-48)55-45(15)68(84-70(55)57)65-63-61(76-80(18)78-63)51(29-74-65)66-44(14)54-59(49-25-35(5)42(12)36(6)26-49)72-56(60(71(54)82-66)50-27-37(7)43(13)38(8)28-50)46(16)67(83-72)64-62-52(19-20-73-64)75-79(17)77-62/h19-30H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1nn(n2)C)n3C)F)c1cc(c(c(c1)C)C)C)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)n(cc3F)C)c2cc(c(c(c2)C)C)C)n1C)F	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c2c(c1F)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(F)c(n1C)c1nccc2c1nn(n2)C)c1n(C)c2c(c1F)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(F)cn1C	


key: InChI
value:
  InChI=1S/C72H66F4N12/c1-31-21-43(22-32(2)39(31)9)50-54-48(73)30-83(13)67(54)51(44-23-33(3)40(10)34(4)24-44)55-59(75)72(85(15)68(50)55)65-63-61(80-88(18)82-63)47(29-78-65)66-58(74)56-52(45-25-35(5)41(11)36(6)26-45)70-57(53(69(56)84(66)14)46-27-37(7)42(12)38(8)28-46)60(76)71(86(70)16)64-62-49(19-20-77-64)79-87(17)81-62/h19-30H,1-18H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)sc(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3cc(c(c(c3)C)C)C)scc4F)c3cc(c(c(c3)C)C)C)s2)F)c2cc(c(c(c2)C)C)C)s1)F	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1sc2c(c1F)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(F)c(s1)c1nccc2c1nn(n2)C)c1sc2c(c1F)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(F)cs1	


key: InChI
value:
  InChI=1S/C68H54F4N8S4/c1-27-17-39(18-28(2)35(27)9)46-50-44(69)26-81-63(50)47(40-19-29(3)36(10)30(4)20-40)51-55(71)68(83-64(46)51)61-59-57(76-80(14)78-59)43(25-74-61)62-54(70)52-48(41-21-31(5)37(11)32(6)22-41)66-53(49(65(52)82-62)42-23-33(7)38(12)34(8)24-42)56(72)67(84-66)60-58-45(15-16-73-60)75-79(13)77-58/h15-26H,1-14H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)sc(c3C)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3cc(c(c(c3)C)C)C)scc4C)c3cc(c(c(c3)C)C)C)s2)C)c2cc(c(c(c2)C)C)C)s1)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1sc2c(c1C)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(C)c(s1)c1nccc2c1nn(n2)C)c1sc2c(c1C)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(C)cs1	


key: InChI
value:
  InChI=1S/C72H66N8S4/c1-31-21-47(22-32(2)40(31)10)57-53-39(9)30-81-69(53)58(48-23-33(3)41(11)34(4)24-48)55-45(15)68(84-70(55)57)65-63-61(76-80(18)78-63)51(29-74-65)66-44(14)54-59(49-25-35(5)42(12)36(6)26-49)72-56(60(71(54)82-66)50-27-37(7)43(13)38(8)28-50)46(16)67(83-72)64-62-52(19-20-73-64)75-79(17)77-62/h19-30H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1nn(n2)C)o3)F)c1cc(c(c(c1)C)C)C)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3F)c2cc(c(c(c2)C)C)C)o1)F	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1oc2c(c1F)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(F)c(o1)c1nccc2c1nn(n2)C)c1oc2c(c1F)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(F)co1	


key: InChI
value:
  InChI=1S/C68H54F4N8O4/c1-27-17-39(18-28(2)35(27)9)46-50-44(69)26-81-63(50)47(40-19-29(3)36(10)30(4)20-40)51-55(71)68(83-64(46)51)61-59-57(76-80(14)78-59)43(25-74-61)62-54(70)52-48(41-21-31(5)37(11)32(6)22-41)66-53(49(65(52)82-62)42-23-33(7)38(12)34(8)24-42)56(72)67(84-66)60-58-45(15-16-73-60)75-79(13)77-58/h15-26H,1-14H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nn(n2)C)n3C)C)c1cc(c(c(c1)F)F)F)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)n(cc3C)C)c2cc(c(c(c2)F)F)F)n1C)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c2c(c1C)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(C)c(n1C)c1nccc2c1nn(n2)C)c1n(C)c2c(c1C)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(C)cn1C	


key: InChI
value:
  InChI=1S/C64H42F12N12/c1-23-22-83(5)61-41(23)45(27-13-32(65)49(73)33(66)14-27)62-43(46(61)28-15-34(67)50(74)35(68)16-28)25(3)60(86(62)8)57-55-53(80-88(10)82-55)31(21-78-57)58-24(2)42-47(29-17-36(69)51(75)37(70)18-29)64-44(48(63(42)84(58)6)30-19-38(71)52(76)39(72)20-30)26(4)59(85(64)7)56-54-40(11-12-77-56)79-87(9)81-54/h11-22H,1-10H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)sc(c3OC)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3cc(c(c(c3)C)C)C)scc4OC)c3cc(c(c(c3)C)C)C)s2)OC)c2cc(c(c(c2)C)C)C)s1)OC	


key: CAN_SMILES
value:
  COc1c(sc2c1c(c1cc(C)c(c(c1)C)C)c1sc(c(c1c2c1cc(C)c(c(c1)C)C)OC)c1nccc2c1nn(n2)C)c1cnc(c2c1nn(n2)C)c1sc2c(c1OC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)cs1	


key: InChI
value:
  InChI=1S/C72H66N8O4S4/c1-31-21-43(22-32(2)39(31)9)50-54-49(81-15)30-85-67(54)51(44-23-33(3)40(10)34(4)24-44)55-64(83-17)72(87-68(50)55)62-60-58(76-80(14)78-60)47(29-74-62)66-63(82-16)56-52(45-25-35(5)41(11)36(6)26-45)70-57(53(69(56)86-66)46-27-37(7)42(12)38(8)28-46)65(84-18)71(88-70)61-59-48(19-20-73-61)75-79(13)77-59/h19-30H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1nn(n2)C)o3)OC)c1cc(c(c(c1)C)C)C)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3OC)c2cc(c(c(c2)C)C)C)o1)OC	


key: CAN_SMILES
value:
  COc1c(oc2c1c(c1cc(C)c(c(c1)C)C)c1oc(c(c1c2c1cc(C)c(c(c1)C)C)OC)c1nccc2c1nn(n2)C)c1cnc(c2c1nn(n2)C)c1oc2c(c1OC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1	


key: InChI
value:
  InChI=1S/C72H66N8O8/c1-31-21-43(22-32(2)39(31)9)50-54-49(81-15)30-85-64(54)51(44-23-33(3)40(10)34(4)24-44)55-65(50)87-72(69(55)83-17)62-60-58(76-80(14)78-60)47(29-74-62)63-68(82-16)56-52(45-25-35(5)41(11)36(6)26-45)67-57(53(66(56)86-63)46-27-37(7)42(12)38(8)28-46)70(84-18)71(88-67)61-59-48(19-20-73-61)75-79(13)77-59/h19-30H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1cc2c(c3c(c(c2n1C)c1cc(c(c(c1)C)C)C)cc(c1nccc2c1nn(n2)C)n3C)c1cc(c(c(c1)C)C)C)c1cc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)n(cc3)C)c2cc(c(c(c2)C)C)C)n1C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1cc2c(n1C)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)n(C)c(c1)c1nccc2c1nn(n2)C)c1cc2c(n1C)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)n(C)cc1	


key: InChI
value:
  InChI=1S/C72H70N12/c1-35-23-47(24-36(2)43(35)9)60-51-20-22-79(13)69(51)61(48-25-37(3)44(10)38(4)26-48)53-32-59(82(16)70(53)60)67-68-64(76-84(18)78-68)55(34-74-67)57-31-52-62(49-27-39(5)45(11)40(6)28-49)72-54(63(71(52)80(57)14)50-29-41(7)46(12)42(8)30-50)33-58(81(72)15)66-65-56(19-21-73-66)75-83(17)77-65/h19-34H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1cc2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)cc(c1nccc2c1nn(n2)C)o3)c1cc(c(c(c1)C)C)C)c1cc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3)c2cc(c(c(c2)C)C)C)o1	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(cnc2c1oc2c(c1)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)cco1)c1oc2c(c1)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)cc(o1)c1nccc2c1nn(n2)C	


key: InChI
value:
  InChI=1S/C68H58N8O4/c1-31-19-43(20-32(2)39(31)9)56-47-16-18-77-65(47)57(44-21-33(3)40(10)34(4)22-44)49-28-55(80-66(49)56)63-64-60(72-76(14)74-64)51(30-70-63)53-27-48-58(45-23-35(5)41(11)36(6)24-45)68-50(59(67(48)78-53)46-25-37(7)42(12)38(8)26-46)29-54(79-68)62-61-52(15-17-69-62)71-75(13)73-61/h15-30H,1-14H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)sc(c3C)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3cc(c(c(c3)F)F)F)scc4C)c3cc(c(c(c3)F)F)F)s2)C)c2cc(c(c(c2)F)F)F)s1)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1sc2c(c1C)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(C)c(s1)c1nccc2c1nn(n2)C)c1sc2c(c1C)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(C)cs1	


key: InChI
value:
  InChI=1S/C60H30F12N8S4/c1-19-18-81-57-37(19)41(23-9-28(61)45(69)29(62)10-23)58-39(42(57)24-11-30(63)46(70)31(64)12-24)21(3)56(84-58)53-51-49(76-80(6)78-51)27(17-74-53)54-20(2)38-43(25-13-32(65)47(71)33(66)14-25)60-40(44(59(38)82-54)26-15-34(67)48(72)35(68)16-26)22(4)55(83-60)52-50-36(7-8-73-52)75-79(5)77-50/h7-18H,1-6H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1nn(n2)C)o3)SC)c1cc(c(c(c1)C)C)C)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3SC)c2cc(c(c(c2)C)C)C)o1)SC	


key: CAN_SMILES
value:
  CSc1c(oc2c1c(c1cc(C)c(c(c1)C)C)c1oc(c(c1c2c1cc(C)c(c(c1)C)C)SC)c1nccc2c1nn(n2)C)c1cnc(c2c1nn(n2)C)c1oc2c(c1SC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(SC)co1	


key: InChI
value:
  InChI=1S/C72H66N8O4S4/c1-31-21-43(22-32(2)39(31)9)50-54-49(85-15)30-81-64(54)51(44-23-33(3)40(10)34(4)24-44)55-65(50)83-69(71(55)87-17)62-60-58(76-80(14)78-60)47(29-74-62)63-70(86-16)56-52(45-25-35(5)41(11)36(6)26-45)67-57(53(66(56)82-63)46-27-37(7)42(12)38(8)28-46)72(88-18)68(84-67)61-59-48(19-20-73-61)75-79(13)77-59/h19-30H,1-18H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)sc(c3SC)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3cc(c(c(c3)C)C)C)scc4SC)c3cc(c(c(c3)C)C)C)s2)SC)c2cc(c(c(c2)C)C)C)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(c1cc(C)c(c(c1)C)C)c1sc(c(c1c2c1cc(C)c(c(c1)C)C)SC)c1nccc2c1nn(n2)C)c1cnc(c2c1nn(n2)C)c1sc2c(c1SC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(SC)cs1	


key: InChI
value:
  InChI=1S/C72H66N8S8/c1-31-21-43(22-32(2)39(31)9)50-54-49(81-15)30-85-64(54)51(44-23-33(3)40(10)34(4)24-44)55-65(50)87-72(69(55)83-17)62-60-58(76-80(14)78-60)47(29-74-62)63-68(82-16)56-52(45-25-35(5)41(11)36(6)26-45)67-57(53(66(56)86-63)46-27-37(7)42(12)38(8)28-46)70(84-18)71(88-67)61-59-48(19-20-73-61)75-79(13)77-59/h19-30H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nn(n2)C)o3)C)c1cc(c(c(c1)F)F)F)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3C)c2cc(c(c(c2)F)F)F)o1)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1oc2c(c1C)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(C)c(o1)c1nccc2c1nn(n2)C)c1oc2c(c1C)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(C)co1	


key: InChI
value:
  InChI=1S/C60H30F12N8O4/c1-19-18-81-57-37(19)41(23-9-28(61)45(69)29(62)10-23)58-39(42(57)24-11-30(63)46(70)31(64)12-24)21(3)56(84-58)53-51-49(76-80(6)78-51)27(17-74-53)54-20(2)38-43(25-13-32(65)47(71)33(66)14-25)60-40(44(59(38)82-54)26-15-34(67)48(72)35(68)16-26)22(4)55(83-60)52-50-36(7-8-73-52)75-79(5)77-50/h7-18H,1-6H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nn(n2)C)n3C)F)c1cc(c(c(c1)F)F)F)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)n(cc3F)C)c2cc(c(c(c2)F)F)F)n1C)F	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c2c(c1F)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(F)c(n1C)c1nccc2c1nn(n2)C)c1n(C)c2c(c1F)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(F)cn1C	


key: InChI
value:
  InChI=1S/C60H30F16N12/c1-83-18-32(69)38-34(19-9-24(61)42(70)25(62)10-19)56-39(35(55(38)83)20-11-26(63)43(71)27(64)12-20)47(75)60(85(56)3)53-51-49(80-88(6)82-51)23(17-78-53)54-46(74)40-36(21-13-28(65)44(72)29(66)14-21)58-41(37(57(40)84(54)2)22-15-30(67)45(73)31(68)16-22)48(76)59(86(58)4)52-50-33(7-8-77-52)79-87(5)81-50/h7-18H,1-6H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1cc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)sc(c3)c2cnc(c3c2nn(n3)C)c2cc3c(c(c4c(c3c3cc(c(c(c3)C)C)C)scc4)c3cc(c(c(c3)C)C)C)s2)c2cc(c(c(c2)C)C)C)s1	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(cnc2c1sc2c(c1)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)ccs1)c1sc2c(c1)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)cc(s1)c1nccc2c1nn(n2)C	


key: InChI
value:
  InChI=1S/C68H58N8S4/c1-31-19-43(20-32(2)39(31)9)56-47-16-18-77-65(47)57(44-21-33(3)40(10)34(4)22-44)49-28-55(80-66(49)56)63-64-60(72-76(14)74-64)51(30-70-63)53-27-48-58(45-23-35(5)41(11)36(6)24-45)68-50(59(67(48)78-53)46-25-37(7)42(12)38(8)26-46)29-54(79-68)62-61-52(15-17-69-62)71-75(13)73-61/h15-30H,1-14H3


key: InChI
value:
  InChI=1S/C34H32N10O2/c1-17-10-12-41(5)31(17)32-19(3)14-25(43(32)7)29-30-26(38-46-40-30)21(16-36-29)23-13-18(2)33(42(23)6)34-20(4)15-24(44(34)8)28-27-22(9-11-35-28)37-45-39-27/h9-16H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1cc2c(c3c(c(c2n1C)c1cc(c(c(c1)F)F)F)cc(c1nccc2c1nn(n2)C)n3C)c1cc(c(c(c1)F)F)F)c1cc2c(c(c3c(c2c2cc(c(c(c2)F)F)F)n(cc3)C)c2cc(c(c(c2)F)F)F)n1C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1cc2c(n1C)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)n(C)c(c1)c1nccc2c1nn(n2)C)c1cc2c(n1C)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)n(C)cc1	


key: InChI
value:
  InChI=1S/C60H34F12N12/c1-79-10-8-27-44(23-11-32(61)48(69)33(62)12-23)58-29(45(57(27)79)24-13-34(63)49(70)35(64)14-24)20-43(82(58)4)55-56-52(76-84(6)78-56)31(22-74-55)41-19-28-46(25-15-36(65)50(71)37(66)16-25)60-30(47(59(28)80(41)2)26-17-38(67)51(72)39(68)18-26)21-42(81(60)3)54-53-40(7-9-73-54)75-83(5)77-53/h7-22H,1-6H3


key: InChI
value:
  InChI=1S/C30H24N10O2/c1-37-15-5-6-20(37)21-9-11-25(39(21)3)29-30-26(34-42-36-30)17(16-32-29)19-7-8-22(38(19)2)23-10-12-24(40(23)4)28-27-18(13-14-31-28)33-41-35-27/h5-16H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nn(n2)C)n3C)OC)c1cc(c(c(c1)F)F)F)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)n(cc3OC)C)c2cc(c(c(c2)F)F)F)n1C)OC	


key: CAN_SMILES
value:
  COc1cn(c2c1c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(c(n1C)c1ncc(c2c1nn(n2)C)c1n(C)c2c(c1OC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(OC)c(n1C)c1nccc2c1nn(n2)C)OC)C	


key: InChI
value:
  InChI=1S/C64H42F12N12O4/c1-83-22-37(89-7)42-38(23-13-28(65)46(73)29(66)14-23)57-43(39(56(42)83)24-15-30(67)47(74)31(68)16-24)63(91-9)61(85(57)3)54-52-50(80-88(6)82-52)27(21-78-54)55-62(90-8)44-40(25-17-32(69)48(75)33(70)18-25)59-45(41(58(44)84(55)2)26-19-34(71)49(76)35(72)20-26)64(92-10)60(86(59)4)53-51-36(11-12-77-53)79-87(5)81-51/h11-22H,1-10H3


key: InChI
value:
  InChI=1S/C30H20N6O10/c1-37-15-6-8-41-27(15)28-20(39-3)11-18(43-28)25-26-22(34-46-36-26)13(12-32-25)16-9-19(38-2)29(42-16)30-21(40-4)10-17(44-30)24-23-14(5-7-31-24)33-45-35-23/h5-12H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nn(n2)C)n3C)C)c1cc(c(c(c1)OC)OC)OC)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)n(cc3C)C)c2cc(c(c(c2)OC)OC)OC)n1C)C	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(C)c(n(c2c(c2c1n(C)c(c2C)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)C)c1cnc(c2c1nn(n2)C)c1c(C)c2c(n1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)n(C)cc1C	


key: InChI
value:
  InChI=1S/C76H78N12O12/c1-35-34-83(5)69-53(35)57(39-25-45(89-11)73(97-19)46(26-39)90-12)70-55(58(69)40-27-47(91-13)74(98-20)48(28-40)92-14)37(3)68(86(70)8)65-63-61(80-88(10)82-63)43(33-78-65)66-36(2)54-59(41-29-49(93-15)75(99-21)50(30-41)94-16)72-56(38(4)67(85(72)7)64-62-44(23-24-77-64)79-87(9)81-62)60(71(54)84(66)6)42-31-51(95-17)76(100-22)52(32-42)96-18/h23-34H,1-22H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)sc(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3cc(c(c(c3)OC)OC)OC)scc4F)c3cc(c(c(c3)OC)OC)OC)s2)F)c2cc(c(c(c2)OC)OC)OC)s1)F	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(F)c(sc2c(c2c1sc(c2F)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nn(n2)C)c1sc2c(c1F)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(F)cs1	


key: InChI
value:
  InChI=1S/C68H54F4N8O12S4/c1-79-75-33-15-16-73-56(54(33)77-79)67-52(72)49-45(30-23-40(87-9)61(92-14)41(24-30)88-10)65-48(44(66(49)96-67)29-21-38(85-7)60(91-13)39(22-29)86-8)50(70)62(94-65)31-25-74-57(55-53(31)76-80(2)78-55)68-51(71)47-43(28-19-36(83-5)59(90-12)37(20-28)84-6)63-46(32(69)26-93-63)42(64(47)95-68)27-17-34(81-3)58(89-11)35(18-27)82-4/h15-26H,1-14H3


key: InChI
value:
  InChI=1S/C34H32N10O6/c1-41-12-10-22(45-5)31(41)32-24(47-7)15-21(43(32)3)29-30-26(38-50-40-30)17(16-36-29)19-13-23(46-6)33(42(19)2)34-25(48-8)14-20(44(34)4)28-27-18(9-11-35-28)37-49-39-27/h9-16H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1non2)n3C)F)c1cc(c(c(c1)C)C)C)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)n(cc3F)C)c2cc(c(c(c2)C)C)C)n1C)F	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1non2)c1cc(C)c(c(c1)C)C)C)c1cnc(c2c1non2)c1n(C)c2c(c1F)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(F)cn1C	


key: InChI
value:
  InChI=1S/C70H60F4N10O2/c1-29-19-41(20-30(2)37(29)9)48-52-46(71)28-81(13)65(52)49(42-21-31(3)38(10)32(4)22-42)53-57(73)70(83(15)66(48)53)63-61-59(78-86-80-61)45(27-76-63)64-56(72)54-50(43-23-33(5)39(11)34(6)24-43)68-55(51(67(54)82(64)14)44-25-35(7)40(12)36(8)26-44)58(74)69(84(68)16)62-60-47(17-18-75-62)77-85-79-60/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1cc2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)cc(c1nccc2c1non2)o3)c1cc(c(c(c1)C)C)C)c1cc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3)c2cc(c(c(c2)C)C)C)o1	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2cc(oc2c(c2c1oc(c2)c1nccc2c1non2)c1cc(C)c(c(c1)C)C)c1cnc(c2c1non2)c1oc2c(c1)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)cco1	


key: InChI
value:
  InChI=1S/C66H52N6O6/c1-29-17-41(18-30(2)37(29)9)54-45-14-16-73-63(45)55(42-19-31(3)38(10)32(4)20-42)47-26-53(76-64(47)54)61-62-58(70-78-72-62)49(28-68-61)51-25-46-56(43-21-33(5)39(11)34(6)22-43)66-48(27-52(75-66)60-59-50(13-15-67-60)69-77-71-59)57(65(46)74-51)44-23-35(7)40(12)36(8)24-44/h13-28H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1non2)o3)F)c1cc(c(c(c1)C)C)C)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3F)c2cc(c(c(c2)C)C)C)o1)F	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2c(F)c(oc2c(c2c1oc(c2F)c1nccc2c1non2)c1cc(C)c(c(c1)C)C)c1cnc(c2c1non2)c1oc2c(c1F)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(F)co1	


key: InChI
value:
  InChI=1S/C66H48F4N6O6/c1-25-15-37(16-26(2)33(25)9)44-48-42(67)24-77-61(48)45(38-17-27(3)34(10)28(4)18-38)49-53(69)66(79-62(44)49)59-57-55(74-82-76-57)41(23-72-59)60-52(68)50-46(39-19-29(5)35(11)30(6)20-39)64-51(47(63(50)78-60)40-21-31(7)36(12)32(8)22-40)54(70)65(80-64)58-56-43(13-14-71-58)73-81-75-56/h13-24H,1-12H3


key: InChI
value:
  InChI=1S/C34H20N6O2S8/c1-43-23-12-47-19-8-14-20(7-13(19)23)49-34(30(14)45-3)28-26-24(38-42-40-26)17(11-36-28)32-29(44-2)15-9-22-16(10-21(15)48-32)31(46-4)33(50-22)27-25-18(5-6-35-27)37-41-39-25/h5-12H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)OC)c(c(c1nccc2c1non2)s3)C)OC)C)c1c(c2c(c(c3c(c2OC)scc3C)OC)s1)C	


key: InChI
value:
  InChI=1S/C38H28N6O6S4/c1-13-12-51-35-19(13)28(45-5)36-21(29(35)46-6)15(3)34(54-36)27-25-23(42-50-44-25)17(11-40-27)32-14(2)20-30(47-7)38-22(31(48-8)37(20)52-32)16(4)33(53-38)26-24-18(9-10-39-26)41-49-43-24/h9-12H,1-8H3


key: SMILES
value:
  c1(nccc2c1non2)c1c(c2c(c(c3c(c2OC)n(c(c3F)c2cnc(c3c2non3)c2c(c3c(c(c4c(c3OC)n(cc4F)C)OC)n2C)F)C)OC)n1C)F	


key: CAN_SMILES
value:
  COc1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1non2)OC)C)c1cnc(c2c1non2)c1c(F)c2c(n1C)c(OC)c1c(c2OC)n(C)cc1F	


key: InChI
value:
  InChI=1S/C38H28F4N10O6/c1-49-12-14(39)16-29(49)36(54-6)18-21(41)34(51(3)30(18)35(16)53-5)27-25-23(46-58-48-25)13(11-44-27)28-20(40)17-31(50(28)2)38(56-8)19-22(42)33(52(4)32(19)37(17)55-7)26-24-15(9-10-43-26)45-57-47-24/h9-12H,1-8H3


key: SMILES
value:
  c1(nccc2c1non2)c1c(c2c(c(c3c(c2OC)oc(c3F)c2cnc(c3c2non3)C2=C([C]3C(=C([C]4C(=C3OC)OC=C4F)OC)O2)F)OC)o1)F	


key: CAN_SMILES
value:
  COC1=C2OC(=C([C]2C(=C2[C]1C(=CO2)F)OC)F)c1ncc(c2c1non2)c1oc2c(c1F)c(OC)c1c(c2OC)c(F)c(o1)c1nccc2c1non2	


key: InChI
value:
  InChI=1S/C34H16F4N6O10/c1-45-25-12-10(35)8-49-29(12)26(46-2)14-17(37)34(51-30(14)25)23-21-19(42-54-44-21)9(7-40-23)24-16(36)13-27(47-3)32-15(28(48-4)31(13)50-24)18(38)33(52-32)22-20-11(5-6-39-22)41-53-43-20/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C26H12N6O4S2Si2/c1-3-27-20(19-10(1)29-37-31-19)12-6-17-26(36-12)25-15(40-17)5-11(34-25)9-8-28-21(22-18(9)30-38-32-22)13-7-16-24(35-13)23-14(39-16)2-4-33-23/h1-8H,39-40H2


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)SC)c(c(c1nccc2c1non2)s3)OC)SC)OC)c1c(c2c(c(c3c(c2SC)scc3OC)SC)s1)OC	


key: CAN_SMILES
value:
  COc1c(sc2c1c(SC)c1c(c2SC)c(c(s1)c1nccc2c1non2)OC)c1cnc(c2c1non2)c1sc2c(c1OC)c(SC)c1c(c2SC)c(OC)cs1	


key: InChI
value:
  InChI=1S/C38H28N6O6S8/c1-45-15-12-55-33-16(15)29(51-5)34-18(30(33)52-6)26(47-3)38(57-34)24-22-20(42-50-44-22)13(11-40-24)28-25(46-2)17-31(53-7)36-19(32(54-8)35(17)56-28)27(48-4)37(58-36)23-21-14(9-10-39-23)41-49-43-21/h9-12H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)SC)c(c(c1nccc2c1non2)s3)SC)SC)SC)c1c(c2c(c(c3c(c2SC)scc3SC)SC)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(SC)c1c(c2SC)c(c(s1)c1nccc2c1non2)SC)c1cnc(c2c1non2)c1sc2c(c1SC)c(SC)c1c(c2SC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C38H28N6O2S12/c1-47-15-12-55-33-16(15)26(48-2)34-18(28(33)50-4)31(53-7)38(57-34)24-22-20(42-46-44-22)13(11-40-24)25-27(49-3)17-29(51-5)36-19(30(52-6)35(17)56-25)32(54-8)37(58-36)23-21-14(9-10-39-23)41-45-43-21/h9-12H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1non2)s3)F)c1cc(c(c(c1)C)C)C)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)scc3F)c2cc(c(c(c2)C)C)C)s1)F	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2c(F)c(sc2c(c2c1sc(c2F)c1nccc2c1non2)c1cc(C)c(c(c1)C)C)c1cnc(c2c1non2)c1sc2c(c1F)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(F)cs1	


key: InChI
value:
  InChI=1S/C66H48F4N6O2S4/c1-25-15-37(16-26(2)33(25)9)44-48-42(67)24-79-61(48)45(38-17-27(3)34(10)28(4)18-38)49-53(69)66(81-62(44)49)59-57-55(74-78-76-57)41(23-72-59)60-52(68)50-46(39-19-29(5)35(11)30(6)20-39)64-51(47(63(50)80-60)40-21-31(7)36(12)32(8)22-40)54(70)65(82-64)58-56-43(13-14-71-58)73-77-75-56/h13-24H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nsn2)n3C)F)c1cc(c(c(c1)F)F)F)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)n(cc3F)C)c2cc(c(c(c2)F)F)F)n1C)F	


key: CAN_SMILES
value:
  Fc1c(F)cc(cc1F)c1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1nsn2)c1cc(F)c(c(c1)F)F)C)c1cnc(c2c1nsn2)c1n(C)c2c(c1F)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(F)cn1C	


key: InChI
value:
  InChI=1S/C58H24F16N10S2/c1-81-16-30(67)36-32(17-7-22(59)40(68)23(60)8-17)54-37(33(53(36)81)18-9-24(61)41(69)25(62)10-18)45(73)58(83(54)3)51-49-47(78-86-80-49)21(15-76-51)52-44(72)38-34(19-11-26(63)42(70)27(64)12-19)56-39(35(55(38)82(52)2)20-13-28(65)43(71)29(66)14-20)46(74)57(84(56)4)50-48-31(5-6-75-50)77-85-79-48/h5-16H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1non2)s3)C)c1cc(c(c(c1)F)F)F)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)scc3C)c2cc(c(c(c2)F)F)F)s1)C	


key: CAN_SMILES
value:
  Fc1c(F)cc(cc1F)c1c2c(C)c(sc2c(c2c1sc(c2C)c1nccc2c1non2)c1cc(F)c(c(c1)F)F)c1cnc(c2c1non2)c1sc2c(c1C)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(C)cs1	


key: InChI
value:
  InChI=1S/C58H24F12N6O2S4/c1-17-16-79-55-35(17)39(21-7-26(59)43(67)27(60)8-21)56-37(40(55)22-9-28(61)44(68)29(62)10-22)19(3)54(82-56)51-49-47(74-78-76-49)25(15-72-51)52-18(2)36-41(23-11-30(63)45(69)31(64)12-23)58-38(42(57(36)80-52)24-13-32(65)46(70)33(66)14-24)20(4)53(81-58)50-48-34(5-6-71-50)73-77-75-48/h5-16H,1-4H3


key: InChI
value:
  InChI=1S/C34H16F4N6O4S2/c1-9-16-14(35)8-45-28(16)10(2)17-21(37)34(47-29(9)17)27-25-23(42-50-44-25)13(7-40-27)32-20(36)18-11(3)31-19(12(4)30(18)46-32)22(38)33(48-31)26-24-15(5-6-39-26)41-49-43-24/h5-8H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1non2)o3)C)c1cc(c(c(c1)F)F)F)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3C)c2cc(c(c(c2)F)F)F)o1)C	


key: CAN_SMILES
value:
  Fc1c(F)cc(cc1F)c1c2c(C)c(oc2c(c2c1oc(c2C)c1nccc2c1non2)c1cc(F)c(c(c1)F)F)c1cnc(c2c1non2)c1oc2c(c1C)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(C)co1	


key: InChI
value:
  InChI=1S/C58H24F12N6O6/c1-17-16-77-55-35(17)39(21-7-26(59)43(67)27(60)8-21)56-37(40(55)22-9-28(61)44(68)29(62)10-22)19(3)54(80-56)51-49-47(74-82-76-49)25(15-72-51)52-18(2)36-41(23-11-30(63)45(69)31(64)12-23)58-38(42(57(36)78-52)24-13-32(65)46(70)33(66)14-24)20(4)53(79-58)50-48-34(5-6-71-50)73-81-75-48/h5-16H,1-4H3


key: InChI
value:
  InChI=1S/C34H16F4N6S6/c1-9-16-14(35)8-45-28(16)10(2)17-21(37)34(47-29(9)17)27-25-23(42-50-44-25)13(7-40-27)32-20(36)18-11(3)31-19(12(4)30(18)46-32)22(38)33(48-31)26-24-15(5-6-39-26)41-49-43-24/h5-8H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1non2)s3)SC)c1cc(c(c(c1)C)C)C)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)scc3SC)c2cc(c(c(c2)C)C)C)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(c1cc(C)c(c(c1)C)C)c1sc(c(c1c2c1cc(C)c(c(c1)C)C)SC)c1nccc2c1non2)c1cnc(c2c1non2)c1sc2c(c1SC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(SC)cs1	


key: InChI
value:
  InChI=1S/C70H60N6O2S8/c1-29-19-41(20-30(2)37(29)9)48-52-47(79-13)28-83-62(52)49(42-21-31(3)38(10)32(4)22-42)53-63(48)85-70(67(53)81-15)60-58-56(74-78-76-58)45(27-72-60)61-66(80-14)54-50(43-23-33(5)39(11)34(6)24-43)65-55(51(64(54)84-61)44-25-35(7)40(12)36(8)26-44)68(82-16)69(86-65)59-57-46(17-18-71-59)73-77-75-57/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1non2)n3C)F)c1cc(c(c(c1)F)F)F)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)n(cc3F)C)c2cc(c(c(c2)F)F)F)n1C)F	


key: CAN_SMILES
value:
  Fc1c(F)cc(cc1F)c1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1non2)c1cc(F)c(c(c1)F)F)C)c1cnc(c2c1non2)c1n(C)c2c(c1F)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(F)cn1C	


key: InChI
value:
  InChI=1S/C58H24F16N10O2/c1-81-16-30(67)36-32(17-7-22(59)40(68)23(60)8-17)54-37(33(53(36)81)18-9-24(61)41(69)25(62)10-18)45(73)58(83(54)3)51-49-47(78-86-80-49)21(15-76-51)52-44(72)38-34(19-11-26(63)42(70)27(64)12-19)56-39(35(55(38)82(52)2)20-13-28(65)43(71)29(66)14-20)46(74)57(84(56)4)50-48-31(5-6-75-50)77-85-79-48/h5-16H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1non2)o3)F)c1cc(c(c(c1)F)F)F)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3F)c2cc(c(c(c2)F)F)F)o1)F	


key: CAN_SMILES
value:
  Fc1c(F)cc(cc1F)c1c2c(F)c(oc2c(c2c1oc(c2F)c1nccc2c1non2)c1cc(F)c(c(c1)F)F)c1cnc(c2c1non2)c1oc2c(c1F)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(F)co1	


key: InChI
value:
  InChI=1S/C54H12F16N6O6/c55-18-3-13(4-19(56)36(18)64)28-32-26(63)12-77-49(32)29(14-5-20(57)37(65)21(58)6-14)33-41(69)54(79-50(28)33)47-45-43(74-82-76-45)17(11-72-47)48-40(68)34-30(15-7-22(59)38(66)23(60)8-15)52-35(31(51(34)78-48)16-9-24(61)39(67)25(62)10-16)42(70)53(80-52)46-44-27(1-2-71-46)73-81-75-44/h1-12H


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1non2)n3C)SC)c1cc(c(c(c1)F)F)F)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)n(cc3SC)C)c2cc(c(c(c2)F)F)F)n1C)SC	


key: CAN_SMILES
value:
  CSc1cn(c2c1c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(c(n1C)c1ncc(c2c1non2)c1n(C)c2c(c1SC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(SC)c(n1C)c1nccc2c1non2)SC)C	


key: InChI
value:
  InChI=1S/C62H36F12N10O2S4/c1-81-20-35(87-5)40-36(21-11-26(63)44(71)27(64)12-21)55-41(37(54(40)81)22-13-28(65)45(72)29(66)14-22)61(89-7)59(83(55)3)52-50-48(78-86-80-50)25(19-76-52)53-60(88-6)42-38(23-15-30(67)46(73)31(68)16-23)57-43(39(56(42)82(53)2)24-17-32(69)47(74)33(70)18-24)62(90-8)58(84(57)4)51-49-34(9-10-75-51)77-85-79-49/h9-20H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1non2)C1=C[C]2C(=C3[C](C(=C2O1)c1cc(c(c(c1)F)F)F)C=C(c1nccc2c1non2)O3)c1cc(c(c(c1)F)F)F)c1cc2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3)c2cc(c(c(c2)F)F)F)o1	


key: CAN_SMILES
value:
  Fc1c(F)cc(cc1F)C1=C2OC(=C[C]2C(=C2[C]1C=C(O2)c1nccc2c1non2)c1cc(F)c(c(c1)F)F)c1cnc(c2c1non2)c1oc2c(c1)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)cco1	


key: InChI
value:
  InChI=1S/C54H16F12N6O6/c55-26-5-17(6-27(56)42(26)63)38-21-2-4-73-51(21)39(18-7-28(57)43(64)29(58)8-18)23-14-37(76-52(23)38)49-50-46(70-78-72-50)25(16-68-49)35-13-22-40(19-9-30(59)44(65)31(60)10-19)54-24(15-36(75-54)48-47-34(1-3-67-48)69-77-71-47)41(53(22)74-35)20-11-32(61)45(66)33(62)12-20/h1-16H


key: SMILES
value:
  c1(nccc2c1non2)c1c(c2c(c(c3c(c2c2ccccc2)sc(c3C)c2cnc(c3c2non3)c2c(c3c(c(c4c(c3c3ccccc3)scc4C)c3ccccc3)s2)C)c2ccccc2)s1)C	


key: CAN_SMILES
value:
  Cc1c(sc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(s1)c1nccc2c1non2)C)c1cnc(c2c1non2)c1sc2c(c1C)c(c1ccccc1)c1c(c2c2ccccc2)c(C)cs1	


key: InChI
value:
  InChI=1S/C58H36N6O2S4/c1-29-28-67-55-39(29)43(33-17-9-5-10-18-33)56-41(44(55)34-19-11-6-12-20-34)31(3)54(70-56)51-49-47(62-66-64-49)37(27-60-51)52-30(2)40-45(35-21-13-7-14-22-35)58-42(46(57(40)68-52)36-23-15-8-16-24-36)32(4)53(69-58)50-48-38(25-26-59-50)61-65-63-48/h5-28H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1ccccc1)c(c(c1nccc2c1non2)o3)C)c1ccccc1)C)c1c(c2c(c(c3c(c2c2ccccc2)occ3C)c2ccccc2)o1)C	


key: CAN_SMILES
value:
  Cc1c(oc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(o1)c1nccc2c1non2)C)c1cnc(c2c1non2)c1oc2c(c1C)c(c1ccccc1)c1c(c2c2ccccc2)c(C)co1	


key: InChI
value:
  InChI=1S/C58H36N6O6/c1-29-28-65-55-39(29)43(33-17-9-5-10-18-33)56-41(44(55)34-19-11-6-12-20-34)31(3)54(68-56)51-49-47(62-70-64-49)37(27-60-51)52-30(2)40-45(35-21-13-7-14-22-35)58-42(46(57(40)66-52)36-23-15-8-16-24-36)32(4)53(67-58)50-48-38(25-26-59-50)61-69-63-48/h5-28H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1non2)o3)OC)c1cc(c(c(c1)F)F)F)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3OC)c2cc(c(c(c2)F)F)F)o1)OC	


key: CAN_SMILES
value:
  COc1c(oc2c1c(c1cc(F)c(c(c1)F)F)c1oc(c(c1c2c1cc(F)c(c(c1)F)F)OC)c1nccc2c1non2)c1cnc(c2c1non2)c1oc2c(c1OC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(OC)co1	


key: InChI
value:
  InChI=1S/C58H24F12N6O10/c1-77-31-16-81-50-33(18-9-24(61)41(68)25(62)10-18)37-51(32(36(31)50)17-7-22(59)40(67)23(60)8-17)83-58(55(37)79-3)48-46-44(74-86-76-46)21(15-72-48)49-54(78-2)38-34(19-11-26(63)42(69)27(64)12-19)53-39(35(52(38)82-49)20-13-28(65)43(70)29(66)14-20)56(80-4)57(84-53)47-45-30(5-6-71-47)73-85-75-45/h5-16H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1non2)s3)OC)c1cc(c(c(c1)F)F)F)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)scc3OC)c2cc(c(c(c2)F)F)F)s1)OC	


key: CAN_SMILES
value:
  COc1c(sc2c1c(c1cc(F)c(c(c1)F)F)c1sc(c(c1c2c1cc(F)c(c(c1)F)F)OC)c1nccc2c1non2)c1cnc(c2c1non2)c1sc2c(c1OC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(OC)cs1	


key: InChI
value:
  InChI=1S/C58H24F12N6O6S4/c1-77-31-16-83-53-33(18-9-24(61)41(68)25(62)10-18)37-50(79-3)58(85-54(37)32(36(31)53)17-7-22(59)40(67)23(60)8-17)48-46-44(74-82-76-46)21(15-72-48)52-49(78-2)38-34(19-11-26(63)42(69)27(64)12-19)56-39(35(55(38)84-52)20-13-28(65)43(70)29(66)14-20)51(80-4)57(86-56)47-45-30(5-6-71-47)73-81-75-45/h5-16H,1-4H3


key: SMILES
value:
  c1(nccc2c1non2)c1c(c2c(c(c3c(c2c2ccccc2)n(c(c3OC)c2cnc(c3c2non3)c2c(c3c(c(c4c(c3c3ccccc3)n(cc4OC)C)c3ccccc3)n2C)OC)C)c2ccccc2)n1C)OC	


key: CAN_SMILES
value:
  COc1c(c2cnc(c3c2non3)c2c(OC)c3c(n2C)c(c2ccccc2)c2c(c3c3ccccc3)n(C)cc2OC)n(c2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(n1C)c1nccc2c1non2)OC)C	


key: InChI
value:
  InChI=1S/C62H48N10O6/c1-69-32-39(73-5)44-40(33-21-13-9-14-22-33)55-45(41(54(44)69)34-23-15-10-16-24-34)61(75-7)59(71(55)3)52-50-48(66-78-68-50)37(31-64-52)53-60(74-6)46-42(35-25-17-11-18-26-35)57-47(43(56(46)70(53)2)36-27-19-12-20-28-36)62(76-8)58(72(57)4)51-49-38(29-30-63-51)65-77-67-49/h9-32H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nsn2)o3)C)c1cc(c(c(c1)F)F)F)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3C)c2cc(c(c(c2)F)F)F)o1)C	


key: CAN_SMILES
value:
  Fc1c(F)cc(cc1F)c1c2c(C)c(oc2c(c2c1oc(c2C)c1nccc2c1nsn2)c1cc(F)c(c(c1)F)F)c1cnc(c2c1nsn2)c1oc2c(c1C)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(C)co1	


key: InChI
value:
  InChI=1S/C58H24F12N6O4S2/c1-17-16-77-55-35(17)39(21-7-26(59)43(67)27(60)8-21)56-37(40(55)22-9-28(61)44(68)29(62)10-22)19(3)54(80-56)51-49-47(74-82-76-49)25(15-72-51)52-18(2)36-41(23-11-30(63)45(69)31(64)12-23)58-38(42(57(36)78-52)24-13-32(65)46(70)33(66)14-24)20(4)53(79-58)50-48-34(5-6-71-50)73-81-75-48/h5-16H,1-4H3


key: SMILES
value:
  c1(nccc2c1non2)c1cc2c(c(c3c(c2c2ccccc2)n(c(c3)c2cnc(c3c2non3)c2cc3c(c(c4c(c3c3ccccc3)n(cc4)C)c3ccccc3)n2C)C)c2ccccc2)n1C	


key: CAN_SMILES
value:
  Cn1c(cc2c1c(c1ccccc1)c1c(c2c2ccccc2)n(c(c1)c1nccc2c1non2)C)c1cnc(c2c1non2)c1cc2c(n1C)c(c1ccccc1)c1c(c2c2ccccc2)n(C)cc1	


key: InChI
value:
  InChI=1S/C58H40N10O2/c1-65-28-26-37-46(33-17-9-5-10-18-33)56-39(47(55(37)65)34-19-11-6-12-20-34)30-45(68(56)4)53-54-50(62-70-64-54)41(32-60-53)43-29-38-48(35-21-13-7-14-22-35)58-40(49(57(38)66(43)2)36-23-15-8-16-24-36)31-44(67(58)3)52-51-42(25-27-59-52)61-69-63-51/h5-32H,1-4H3


key: SMILES
value:
  c1(nccc2c1non2)c1cc2c(c(c3c(c2c2ccccc2)sc(c3)c2cnc(c3c2non3)c2cc3c(c(c4c(c3c3ccccc3)scc4)c3ccccc3)s2)c2ccccc2)s1	


key: CAN_SMILES
value:
  c1ccc(cc1)c1c2cc(sc2c(c2c1sc(c2)c1nccc2c1non2)c1ccccc1)c1cnc(c2c1non2)c1cc2c(s1)c(c1ccccc1)c1c(c2c2ccccc2)scc1	


key: InChI
value:
  InChI=1S/C54H28N6O2S4/c1-5-13-29(14-6-1)42-33-22-24-63-51(33)43(30-15-7-2-8-16-30)35-26-41(66-52(35)42)49-50-46(58-62-60-50)37(28-56-49)39-25-34-44(31-17-9-3-10-18-31)54-36(45(53(34)64-39)32-19-11-4-12-20-32)27-40(65-54)48-47-38(21-23-55-48)57-61-59-47/h1-28H


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1non2)s3)SC)c1cc(c(c(c1)F)F)F)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)scc3SC)c2cc(c(c(c2)F)F)F)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(c1cc(F)c(c(c1)F)F)c1sc(c(c1c2c1cc(F)c(c(c1)F)F)SC)c1nccc2c1non2)c1cnc(c2c1non2)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(SC)cs1	


key: InChI
value:
  InChI=1S/C58H24F12N6O2S8/c1-79-31-16-83-50-33(18-9-24(61)41(68)25(62)10-18)37-51(32(36(31)50)17-7-22(59)40(67)23(60)8-17)85-58(55(37)81-3)48-46-44(74-78-76-46)21(15-72-48)49-54(80-2)38-34(19-11-26(63)42(69)27(64)12-19)53-39(35(52(38)84-49)20-13-28(65)43(70)29(66)14-20)56(82-4)57(86-53)47-45-30(5-6-71-47)73-77-75-45/h5-16H,1-4H3


key: SMILES
value:
  c1(nccc2c1non2)c1c(c2c(c(c3c(c2c2ccccc2)oc(c3F)c2cnc(c3c2non3)c2c(c3c(c(c4c(c3c3ccccc3)occ4F)c3ccccc3)o2)F)c2ccccc2)o1)F	


key: CAN_SMILES
value:
  Fc1c(oc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(o1)c1nccc2c1non2)F)c1cnc(c2c1non2)c1oc2c(c1F)c(c1ccccc1)c1c(c2c2ccccc2)c(F)co1	


key: InChI
value:
  InChI=1S/C54H24F4N6O6/c55-30-24-65-49-33(26-15-7-2-8-16-26)37-41(57)54(67-50(37)32(36(30)49)25-13-5-1-6-14-25)47-45-43(62-70-64-45)29(23-60-47)48-40(56)38-34(27-17-9-3-10-18-27)52-39(35(51(38)66-48)28-19-11-4-12-20-28)42(58)53(68-52)46-44-31(21-22-59-46)61-69-63-44/h1-24H


key: SMILES
value:
  c1(nccc2c1non2)c1c(c2c(c(c3c(c2c2ccccc2)sc(c3F)c2cnc(c3c2non3)c2c(c3c(c(c4c(c3c3ccccc3)scc4F)c3ccccc3)s2)F)c2ccccc2)s1)F	


key: CAN_SMILES
value:
  Fc1c(sc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(s1)c1nccc2c1non2)F)c1cnc(c2c1non2)c1sc2c(c1F)c(c1ccccc1)c1c(c2c2ccccc2)c(F)cs1	


key: InChI
value:
  InChI=1S/C54H24F4N6O2S4/c55-30-24-67-49-33(26-15-7-2-8-16-26)37-41(57)54(69-50(37)32(36(30)49)25-13-5-1-6-14-25)47-45-43(62-66-64-45)29(23-60-47)48-40(56)38-34(27-17-9-3-10-18-27)52-39(35(51(38)68-48)28-19-11-4-12-20-28)42(58)53(70-52)46-44-31(21-22-59-46)61-65-63-44/h1-24H


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nsn2)o3)F)c1cc(c(c(c1)F)F)F)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3F)c2cc(c(c(c2)F)F)F)o1)F	


key: CAN_SMILES
value:
  Fc1c(F)cc(cc1F)c1c2c(F)c(oc2c(c2c1oc(c2F)c1nccc2c1nsn2)c1cc(F)c(c(c1)F)F)c1cnc(c2c1nsn2)c1oc2c(c1F)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(F)co1	


key: InChI
value:
  InChI=1S/C54H12F16N6O4S2/c55-18-3-13(4-19(56)36(18)64)28-32-26(63)12-77-49(32)29(14-5-20(57)37(65)21(58)6-14)33-41(69)54(79-50(28)33)47-45-43(74-82-76-45)17(11-72-47)48-40(68)34-30(15-7-22(59)38(66)23(60)8-15)52-35(31(51(34)78-48)16-9-24(61)39(67)25(62)10-16)42(70)53(80-52)46-44-27(1-2-71-46)73-81-75-44/h1-12H


key: SMILES
value:
  c1(nccc2c1non2)c1cc2c(c(c3c(c2c2ccccc2)oc(c3)c2cnc(c3c2non3)c2cc3c(c(c4c(c3c3ccccc3)occ4)c3ccccc3)o2)c2ccccc2)o1	


key: CAN_SMILES
value:
  c1ccc(cc1)c1c2cc(oc2c(c2c1oc(c2)c1nccc2c1non2)c1ccccc1)c1cnc(c2c1non2)c1cc2c(o1)c(c1ccccc1)c1c(c2c2ccccc2)occ1	


key: InChI
value:
  InChI=1S/C54H28N6O6/c1-5-13-29(14-6-1)42-33-22-24-61-51(33)43(30-15-7-2-8-16-30)35-26-41(64-52(35)42)49-50-46(58-66-60-50)37(28-56-49)39-25-34-44(31-17-9-3-10-18-31)54-36(45(53(34)62-39)32-19-11-4-12-20-32)27-40(63-54)48-47-38(21-23-55-48)57-65-59-47/h1-28H


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1ccccc1)c(c(c1nccc2c1non2)o3)OC)c1ccccc1)OC)c1c(c2c(c(c3c(c2c2ccccc2)occ3OC)c2ccccc2)o1)OC	


key: CAN_SMILES
value:
  COc1c(oc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(o1)c1nccc2c1non2)OC)c1cnc(c2c1non2)c1oc2c(c1OC)c(c1ccccc1)c1c(c2c2ccccc2)c(OC)co1	


key: InChI
value:
  InChI=1S/C58H36N6O10/c1-65-35-28-69-50-37(30-19-11-6-12-20-30)41-51(36(40(35)50)29-17-9-5-10-18-29)71-58(55(41)67-3)48-46-44(62-74-64-46)33(27-60-48)49-54(66-2)42-38(31-21-13-7-14-22-31)53-43(39(52(42)70-49)32-23-15-8-16-24-32)56(68-4)57(72-53)47-45-34(25-26-59-47)61-73-63-45/h5-28H,1-4H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)sc(c3F)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3c3cc(c(c(c3)F)F)F)scc4F)c3cc(c(c(c3)F)F)F)s2)F)c2cc(c(c(c2)F)F)F)s1)F	


key: CAN_SMILES
value:
  Fc1c(F)cc(cc1F)c1c2c(F)c(sc2c(c2c1sc(c2F)c1nccc2c1nsn2)c1cc(F)c(c(c1)F)F)c1cnc(c2c1nsn2)c1sc2c(c1F)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(F)cs1	


key: InChI
value:
  InChI=1S/C54H12F16N6S6/c55-18-3-13(4-19(56)36(18)64)28-32-26(63)12-77-49(32)29(14-5-20(57)37(65)21(58)6-14)33-41(69)54(79-50(28)33)47-45-43(74-82-76-45)17(11-72-47)48-40(68)34-30(15-7-22(59)38(66)23(60)8-15)52-35(31(51(34)78-48)16-9-24(61)39(67)25(62)10-16)42(70)53(80-52)46-44-27(1-2-71-46)73-81-75-44/h1-12H


key: SMILES
value:
  c1(ncc(c2c1non2)c1cc2c(c3c(c(c2o1)c1cc(c(c(c1)OC)OC)OC)cc(c1nccc2c1non2)o3)c1cc(c(c(c1)OC)OC)OC)c1cc2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)occ3)c2cc(c(c(c2)OC)OC)OC)o1	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2cc(oc2c(c2c1oc(c2)c1nccc2c1non2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1non2)c1cc2c(o1)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)occ1	


key: InChI
value:
  InChI=1S/C66H52N6O18/c1-73-42-17-29(18-43(74-2)63(42)81-9)50-33-14-16-85-59(33)51(30-19-44(75-3)64(82-10)45(20-30)76-4)35-26-41(88-60(35)50)57-58-54(70-90-72-58)37(28-68-57)39-25-34-52(31-21-46(77-5)65(83-11)47(22-31)78-6)62-36(27-40(87-62)56-55-38(13-15-67-56)69-89-71-55)53(61(34)86-39)32-23-48(79-7)66(84-12)49(24-32)80-8/h13-28H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1non2)o3)OC)c1cc(c(c(c1)OC)OC)OC)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)occ3OC)c2cc(c(c(c2)OC)OC)OC)o1)OC	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(OC)c(oc2c(c2c1oc(c2OC)c1nccc2c1non2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1non2)c1oc2c(c1OC)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(OC)co1	


key: InChI
value:
  InChI=1S/C70H60N6O22/c1-77-35-19-29(20-36(78-2)58(35)86-10)44-48-43(85-9)28-93-62(48)45(30-21-37(79-3)59(87-11)38(22-30)80-4)49-63(44)95-70(67(49)91-15)56-54-52(74-98-76-54)33(27-72-56)57-66(90-14)50-46(31-23-39(81-5)60(88-12)40(24-31)82-6)65-51(68(92-16)69(96-65)55-53-34(17-18-71-55)73-97-75-53)47(64(50)94-57)32-25-41(83-7)61(89-13)42(26-32)84-8/h17-28H,1-16H3


key: InChI
value:
  InChI=1S/C28H12N6S2Se4/c1-3-29-22(21-16(1)31-35-33-21)18-9-14-6-13-7-17(38-27(13)28(14)40-18)15-10-30-23(24-20(15)32-36-34-24)19-8-12-5-11-2-4-37-25(11)26(12)39-19/h1-4,7-10H,5-6H2


key: InChI
value:
  InChI=1S/C38H28N6O4S6/c1-13-12-49-35-19(13)28(45-5)36-21(29(35)46-6)15(3)34(52-36)27-25-23(42-54-44-25)17(11-40-27)32-14(2)20-30(47-7)38-22(31(48-8)37(20)50-32)16(4)33(51-38)26-24-18(9-10-39-26)41-53-43-24/h9-12H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1non2)o3)C)c1cc(c(c(c1)SC)SC)SC)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)occ3C)c2cc(c(c(c2)SC)SC)SC)o1)C	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(C)c(oc2c(c2c1oc(c2C)c1nccc2c1non2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1non2)c1oc2c(c1C)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(C)co1	


key: InChI
value:
  InChI=1S/C70H60N6O6S12/c1-29-28-77-63-47(29)51(33-19-39(83-5)67(91-13)40(20-33)84-6)64-49(52(63)34-21-41(85-7)68(92-14)42(22-34)86-8)31(3)62(80-64)59-57-55(74-82-76-57)37(27-72-59)60-30(2)48-53(35-23-43(87-9)69(93-15)44(24-35)88-10)66-50(32(4)61(79-66)58-56-38(17-18-71-58)73-81-75-56)54(65(48)78-60)36-25-45(89-11)70(94-16)46(26-36)90-12/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1non2)s3)C)c1cc(c(c(c1)OC)OC)OC)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)scc3C)c2cc(c(c(c2)OC)OC)OC)s1)C	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(C)c(sc2c(c2c1sc(c2C)c1nccc2c1non2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1non2)c1sc2c(c1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(C)cs1	


key: InChI
value:
  InChI=1S/C70H60N6O14S4/c1-29-28-91-67-47(29)51(33-19-39(77-5)60(85-13)40(20-33)78-6)68-49(52(67)34-21-41(79-7)61(86-14)42(22-34)80-8)31(3)66(94-68)59-57-55(74-90-76-57)37(27-72-59)64-30(2)48-53(35-23-43(81-9)62(87-15)44(24-35)82-10)70-50(32(4)65(93-70)58-56-38(17-18-71-58)73-89-75-56)54(69(48)92-64)36-25-45(83-11)63(88-16)46(26-36)84-12/h17-28H,1-16H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2c2ccccc2)sc(c3C)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3c3ccccc3)scc4C)c3ccccc3)s2)C)c2ccccc2)s1)C	


key: CAN_SMILES
value:
  Cc1c(sc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(s1)c1nccc2c1nsn2)C)c1cnc(c2c1nsn2)c1sc2c(c1C)c(c1ccccc1)c1c(c2c2ccccc2)c(C)cs1	


key: InChI
value:
  InChI=1S/C58H36N6S6/c1-29-28-65-55-39(29)43(33-17-9-5-10-18-33)56-41(44(55)34-19-11-6-12-20-34)31(3)54(68-56)51-49-47(62-70-64-49)37(27-60-51)52-30(2)40-45(35-21-13-7-14-22-35)58-42(46(57(40)66-52)36-23-15-8-16-24-36)32(4)53(67-58)50-48-38(25-26-59-50)61-69-63-48/h5-28H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1non2)o3)F)c1cc(c(c(c1)OC)OC)OC)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)occ3F)c2cc(c(c(c2)OC)OC)OC)o1)F	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(F)c(oc2c(c2c1oc(c2F)c1nccc2c1non2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1non2)c1oc2c(c1F)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(F)co1	


key: InChI
value:
  InChI=1S/C66H48F4N6O18/c1-77-32-15-25(16-33(78-2)57(32)85-9)40-44-30(67)24-89-61(44)41(26-17-34(79-3)58(86-10)35(18-26)80-4)45-49(69)66(91-62(40)45)55-53-51(74-94-76-53)29(23-72-55)56-48(68)46-42(27-19-36(81-5)59(87-11)37(20-27)82-6)64-47(50(70)65(92-64)54-52-31(13-14-71-54)73-93-75-52)43(63(46)90-56)28-21-38(83-7)60(88-12)39(22-28)84-8/h13-24H,1-12H3


key: InChI
value:
  InChI=1S/C38H28N6S10/c1-13-20-19(45-5)12-49-29(20)14(2)21-30(13)51-38(35(21)47-7)28-26-24(42-54-44-26)17(11-40-28)33-34(46-6)22-15(3)32-23(16(4)31(22)50-33)36(48-8)37(52-32)27-25-18(9-10-39-27)41-53-43-25/h9-12H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1non2)s3)OC)c1cc(c(c(c1)SC)SC)SC)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)scc3OC)c2cc(c(c(c2)SC)SC)SC)s1)OC	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(OC)c(sc2c(c2c1sc(c2OC)c1nccc2c1non2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1non2)c1sc2c(c1OC)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(OC)cs1	


key: InChI
value:
  InChI=1S/C70H60N6O6S16/c1-77-35-28-95-65-45(30-21-38(85-7)62(92-14)39(22-30)86-8)49-58(79-3)70(97-66(49)44(48(35)65)29-19-36(83-5)61(91-13)37(20-29)84-6)56-54-52(74-82-76-54)33(27-72-56)60-57(78-2)50-46(31-23-40(87-9)63(93-15)41(24-31)88-10)68-51(59(80-4)69(98-68)55-53-34(17-18-71-55)73-81-75-53)47(67(50)96-60)32-25-42(89-11)64(94-16)43(26-32)90-12/h17-28H,1-16H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2c2ccccc2)oc(c3F)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3c3ccccc3)occ4F)c3ccccc3)o2)F)c2ccccc2)o1)F	


key: CAN_SMILES
value:
  Fc1c(oc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(o1)c1nccc2c1nsn2)F)c1cnc(c2c1nsn2)c1oc2c(c1F)c(c1ccccc1)c1c(c2c2ccccc2)c(F)co1	


key: InChI
value:
  InChI=1S/C54H24F4N6O4S2/c55-30-24-65-49-33(26-15-7-2-8-16-26)37-41(57)54(67-50(37)32(36(30)49)25-13-5-1-6-14-25)47-45-43(62-70-64-45)29(23-60-47)48-40(56)38-34(27-17-9-3-10-18-27)52-39(35(51(38)66-48)28-19-11-4-12-20-28)42(58)53(68-52)46-44-31(21-22-59-46)61-69-63-44/h1-24H


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1non2)n3C)F)c1cc(c(c(c1)SC)SC)SC)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)n(cc3F)C)c2cc(c(c(c2)SC)SC)SC)n1C)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1non2)c1cc(SC)c(c(c1)SC)SC)C)c1cnc(c2c1non2)c1c(F)c2c(n1C)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)n(C)cc1F	


key: InChI
value:
  InChI=1S/C70H60F4N10O2S12/c1-81-28-34(71)48-44(29-19-36(87-5)67(95-13)37(20-29)88-6)62-49(45(61(48)81)30-21-38(89-7)68(96-14)39(22-30)90-8)53(73)66(83(62)3)59-57-55(78-86-80-57)33(27-76-59)60-52(72)50-46(31-23-40(91-9)69(97-15)41(24-31)92-10)64-51(54(74)65(84(64)4)58-56-35(17-18-75-58)77-85-79-56)47(63(50)82(60)2)32-25-42(93-11)70(98-16)43(26-32)94-12/h17-28H,1-16H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2c2ccccc2)sc(c3F)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3c3ccccc3)scc4F)c3ccccc3)s2)F)c2ccccc2)s1)F	


key: CAN_SMILES
value:
  Fc1c(sc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(s1)c1nccc2c1nsn2)F)c1cnc(c2c1nsn2)c1sc2c(c1F)c(c1ccccc1)c1c(c2c2ccccc2)c(F)cs1	


key: InChI
value:
  InChI=1S/C54H24F4N6S6/c55-30-24-65-49-33(26-15-7-2-8-16-26)37-41(57)54(67-50(37)32(36(30)49)25-13-5-1-6-14-25)47-45-43(62-70-64-45)29(23-60-47)48-40(56)38-34(27-17-9-3-10-18-27)52-39(35(51(38)66-48)28-19-11-4-12-20-28)42(58)53(68-52)46-44-31(21-22-59-46)61-69-63-44/h1-24H


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1cc2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)cc(c1nccc2c1nsn2)o3)c1cc(c(c(c1)F)F)F)c1cc2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3)c2cc(c(c(c2)F)F)F)o1	


key: CAN_SMILES
value:
  Fc1c(F)cc(cc1F)c1c2cc(oc2c(c2c1oc(c2)c1nccc2c1nsn2)c1cc(F)c(c(c1)F)F)c1cnc(c2c1nsn2)c1oc2c(c1)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)cco1	


key: InChI
value:
  InChI=1S/C54H16F12N6O4S2/c55-26-5-17(6-27(56)42(26)63)38-21-2-4-73-51(21)39(18-7-28(57)43(64)29(58)8-18)23-14-37(76-52(23)38)49-50-46(70-78-72-50)25(16-68-49)35-13-22-40(19-9-30(59)44(65)31(60)10-19)54-24(15-36(75-54)48-47-34(1-3-67-48)69-77-71-47)41(53(22)74-35)20-11-32(61)45(66)33(62)12-20/h1-16H


key: InChI
value:
  InChI=1S/C30H4F8N6S6/c31-6-4-45-25-8(6)12(32)26-10(14(25)34)17(37)30(47-26)23-21-19(42-50-44-21)5(3-40-23)24-13(33)9-15(35)28-11(16(36)27(9)46-24)18(38)29(48-28)22-20-7(1-2-39-22)41-49-43-20/h1-4H


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1non2)o3)F)c1cc(c(c(c1)SC)SC)SC)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)occ3F)c2cc(c(c(c2)SC)SC)SC)o1)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(F)c(oc2c(c2c1oc(c2F)c1nccc2c1non2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1non2)c1oc2c(c1F)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(F)co1	


key: InChI
value:
  InChI=1S/C66H48F4N6O6S12/c1-83-32-15-25(16-33(84-2)63(32)91-9)40-44-30(67)24-77-57(44)41(26-17-34(85-3)64(92-10)35(18-26)86-4)45-49(69)62(79-58(40)45)55-53-51(74-82-76-53)29(23-72-55)56-48(68)46-42(27-19-36(87-5)65(93-11)37(20-27)88-6)60-47(50(70)61(80-60)54-52-31(13-14-71-54)73-81-75-52)43(59(46)78-56)28-21-38(89-7)66(94-12)39(22-28)90-8/h13-24H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1non2)s3)SC)c1cc(c(c(c1)OC)OC)OC)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)scc3SC)c2cc(c(c(c2)OC)OC)OC)s1)SC	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(SC)c(sc2c(c2c1sc(c2SC)c1nccc2c1non2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1non2)c1sc2c(c1SC)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C70H60N6O14S8/c1-77-35-19-29(20-36(78-2)57(35)85-9)44-48-43(91-13)28-95-62(48)45(30-21-37(79-3)58(86-10)38(22-30)80-4)49-63(44)97-70(67(49)93-15)56-54-52(74-90-76-54)33(27-72-56)61-66(92-14)50-46(31-23-39(81-5)59(87-11)40(24-31)82-6)65-51(68(94-16)69(98-65)55-53-34(17-18-71-55)73-89-75-53)47(64(50)96-61)32-25-41(83-7)60(88-12)42(26-32)84-8/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1cc2c(c3c(c(c2o1)c1cc(c(c(c1)SC)SC)SC)cc(c1nccc2c1non2)o3)c1cc(c(c(c1)SC)SC)SC)c1cc2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)occ3)c2cc(c(c(c2)SC)SC)SC)o1	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2cc(oc2c(c2c1oc(c2)c1nccc2c1non2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1non2)c1cc2c(o1)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)occ1	


key: InChI
value:
  InChI=1S/C66H52N6O6S12/c1-79-42-17-29(18-43(80-2)63(42)87-9)50-33-14-16-73-59(33)51(30-19-44(81-3)64(88-10)45(20-30)82-4)35-26-41(76-60(35)50)57-58-54(70-78-72-58)37(28-68-57)39-25-34-52(31-21-46(83-5)65(89-11)47(22-31)84-6)62-36(27-40(75-62)56-55-38(13-15-67-56)69-77-71-55)53(61(34)74-39)32-23-48(85-7)66(90-12)49(24-32)86-8/h13-28H,1-12H3


key: InChI
value:
  InChI=1S/C38H28N6S6/c1-13-12-45-33-16(4)25-19(7)38(47-34(25)14(2)23(13)33)31-29-27(42-50-44-29)21(11-40-31)32-15(3)24-17(5)36-26(18(6)35(24)46-32)20(8)37(48-36)30-28-22(9-10-39-30)41-49-43-28/h9-12H,1-8H3


key: SMILES
value:
  c1(nccc2c1non2)c1cc2c(c(c3c(c2c2cc(c(SC)c(c2)SC)SC)sc(c3)c2cnc(c3c2non3)c2cc3c(c(c4c(c3c3cc(c(SC)c(c3)SC)SC)scc4)c3cc(c(c(c3)SC)SC)SC)s2)c2cc(c(c(c2)SC)SC)SC)s1	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2cc(sc2c(c2c1sc(c2)c1nccc2c1non2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1non2)c1cc2c(s1)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)scc1	


key: InChI
value:
  InChI=1S/C66H52N6O2S16/c1-75-42-17-29(18-43(76-2)63(42)83-9)50-33-14-16-87-59(33)51(30-19-44(77-3)64(84-10)45(20-30)78-4)35-26-41(90-60(35)50)57-58-54(70-74-72-58)37(28-68-57)39-25-34-52(31-21-46(79-5)65(85-11)47(22-31)80-6)62-36(27-40(89-62)56-55-38(13-15-67-56)69-73-71-55)53(61(34)88-39)32-23-48(81-7)66(86-12)49(24-32)82-8/h13-28H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1non2)n3C)C)c1cc(c(c(c1)SC)SC)SC)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)n(cc3C)C)c2cc(c(c(c2)SC)SC)SC)n1C)C	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(C)c(n(c2c(c2c1n(C)c(c2C)c1nccc2c1non2)c1cc(SC)c(c(c1)SC)SC)C)c1cnc(c2c1non2)c1c(C)c2c(n1C)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)n(C)cc1C	


key: InChI
value:
  InChI=1S/C74H72N10O2S12/c1-33-32-81(5)67-51(33)55(37-23-43(87-9)71(95-17)44(24-37)88-10)68-53(56(67)38-25-45(89-11)72(96-18)46(26-38)90-12)35(3)66(84(68)8)63-61-59(78-86-80-61)41(31-76-63)64-34(2)52-57(39-27-47(91-13)73(97-19)48(28-39)92-14)70-54(36(4)65(83(70)7)62-60-42(21-22-75-62)77-85-79-60)58(69(52)82(64)6)40-29-49(93-15)74(98-20)50(30-40)94-16/h21-32H,1-20H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)C)c(c(c1nccc2c1nsn2)s3)OC)C)OC)c1c(c2c(c(c3c(c2C)scc3OC)C)s1)OC	


key: InChI
value:
  InChI=1S/C38H28N6O4S6/c1-13-20-19(45-5)12-49-32(20)14(2)21-30(47-7)38(51-33(13)21)28-26-24(42-54-44-26)17(11-40-28)36-29(46-6)22-15(3)35-23(16(4)34(22)50-36)31(48-8)37(52-35)27-25-18(9-10-39-27)41-53-43-25/h9-12H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1cc2c(c3c(c(c2n1C)c1cc(c(c(c1)OC)OC)OC)cc(c1nccc2c1nn(n2)C)n3C)c1cc(c(c(c1)OC)OC)OC)c1cc2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)n(cc3)C)c2cc(c(c(c2)OC)OC)OC)n1C	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2cc(n(c2c(c2c1n(C)c(c2)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)C)c1cnc(c2c1nn(n2)C)c1cc2c(n1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)n(C)cc1	


key: InChI
value:
  InChI=1S/C72H70N12O12/c1-79-22-20-39-56(35-23-48(85-7)69(93-15)49(24-35)86-8)66-41(57(65(39)79)36-25-50(87-9)70(94-16)51(26-36)88-10)32-47(82(66)4)63-64-60(76-84(6)78-64)43(34-74-63)45-31-40-58(37-27-52(89-11)71(95-17)53(28-37)90-12)68-42(33-46(81(68)3)62-61-44(19-21-73-62)75-83(5)77-61)59(67(40)80(45)2)38-29-54(91-13)72(96-18)55(30-38)92-14/h19-34H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nn(n2)C)s3)OC)c1cc(c(c(c1)OC)OC)OC)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)scc3OC)c2cc(c(c(c2)OC)OC)OC)s1)OC	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(OC)c(sc2c(c2c1sc(c2OC)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nn(n2)C)c1sc2c(c1OC)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(OC)cs1	


key: InChI
value:
  InChI=1S/C72H66N8O16S4/c1-79-75-36-19-20-73-57(55(36)77-79)71-65(96-18)53-49(34-27-43(87-9)62(93-15)44(28-34)88-10)69-52(48(70(53)100-71)33-25-41(85-7)61(92-14)42(26-33)86-8)63(94-16)66(98-69)35-29-74-58(56-54(35)76-80(2)78-56)72-64(95-17)51-47(32-23-39(83-5)60(91-13)40(24-32)84-6)67-50(45(89-11)30-97-67)46(68(51)99-72)31-21-37(81-3)59(90-12)38(22-31)82-4/h19-30H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nn(n2)C)n3C)SC)c1cc(c(c(c1)OC)OC)OC)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)n(cc3SC)C)c2cc(c(c(c2)OC)OC)OC)n1C)SC	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(SC)c(n(c2c(c2c1n(C)c(c2SC)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)C)c1cnc(c2c1nn(n2)C)c1c(SC)c2c(n1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)n(C)cc1SC	


key: InChI
value:
  InChI=1S/C76H78N12O12S4/c1-83-34-49(101-19)54-50(35-25-41(89-7)70(97-15)42(26-35)90-8)65-55(51(64(54)83)36-27-43(91-9)71(98-16)44(28-36)92-10)75(103-21)69(85(65)3)62-60-58(80-88(6)82-60)39(33-78-62)63-74(102-20)56-52(37-29-45(93-11)72(99-17)46(30-37)94-12)67-57(53(66(56)84(63)2)38-31-47(95-13)73(100-18)48(32-38)96-14)76(104-22)68(86(67)4)61-59-40(23-24-77-61)79-87(5)81-59/h23-34H,1-22H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1cc2c(c3c(c(c2o1)c1cc(c(c(c1)OC)OC)OC)cc(c1nccc2c1nn(n2)C)o3)c1cc(c(c(c1)OC)OC)OC)c1cc2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)occ3)c2cc(c(c(c2)OC)OC)OC)o1	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2cc(oc2c(c2c1oc(c2)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nn(n2)C)c1cc2c(o1)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)occ1	


key: InChI
value:
  InChI=1S/C68H58N8O16/c1-75-71-40-15-17-69-58(57(40)73-75)42-29-38-55(34-25-50(83-9)68(88-14)51(26-34)84-10)63-36(54(64(38)91-42)33-23-48(81-7)67(87-13)49(24-33)82-8)27-41(90-63)39-30-70-59(60-56(39)72-76(2)74-60)43-28-37-53(32-21-46(79-5)66(86-12)47(22-32)80-6)61-35(16-18-89-61)52(62(37)92-43)31-19-44(77-3)65(85-11)45(20-31)78-4/h15-30H,1-14H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nn(n2)C)n3C)OC)c1cc(c(c(c1)OC)OC)OC)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)n(cc3OC)C)c2cc(c(c(c2)OC)OC)OC)n1C)OC	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(OC)c(n(c2c(c2c1n(C)c(c2OC)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)C)c1cnc(c2c1nn(n2)C)c1c(OC)c2c(n1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)n(C)cc1OC	


key: InChI
value:
  InChI=1S/C76H78N12O16/c1-83-34-49(97-15)54-50(35-25-41(89-7)70(98-16)42(26-35)90-8)65-55(51(64(54)83)36-27-43(91-9)71(99-17)44(28-36)92-10)75(103-21)69(85(65)3)62-60-58(80-88(6)82-60)39(33-78-62)63-74(102-20)56-52(37-29-45(93-11)72(100-18)46(30-37)94-12)67-57(53(66(56)84(63)2)38-31-47(95-13)73(101-19)48(32-38)96-14)76(104-22)68(86(67)4)61-59-40(23-24-77-61)79-87(5)81-59/h23-34H,1-22H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nn(n2)C)o3)OC)c1cc(c(c(c1)OC)OC)OC)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)occ3OC)c2cc(c(c(c2)OC)OC)OC)o1)OC	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(OC)c(oc2c(c2c1oc(c2OC)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nn(n2)C)c1oc2c(c1OC)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(OC)co1	


key: InChI
value:
  InChI=1S/C72H66N8O20/c1-79-75-36-19-20-73-57(55(36)77-79)71-70(96-18)53-49(34-27-43(87-9)63(93-15)44(28-34)88-10)66-52(48(67(53)100-71)33-25-41(85-7)62(92-14)42(26-33)86-8)68(94-16)59(98-66)35-29-74-58(56-54(35)76-80(2)78-56)72-69(95-17)51-47(32-23-39(83-5)61(91-13)40(24-32)84-6)64-50(45(89-11)30-97-64)46(65(51)99-72)31-21-37(81-3)60(90-12)38(22-31)82-4/h19-30H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(SC)c(sc2c(c2c1sc(c2SC)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nn(n2)C)c1sc2c(c1SC)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C72H66N8O12S8/c1-79-75-36-19-20-73-57(55(36)77-79)71-70(96-18)53-49(34-27-43(87-9)62(92-14)44(28-34)88-10)66-52(48(67(53)100-71)33-25-41(85-7)61(91-13)42(26-33)86-8)68(94-16)63(98-66)35-29-74-58(56-54(35)76-80(2)78-56)72-69(95-17)51-47(32-23-39(83-5)60(90-12)40(24-32)84-6)64-50(45(93-15)30-97-64)46(65(51)99-72)31-21-37(81-3)59(89-11)38(22-31)82-4/h19-30H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)C1=C([C]2C(=C3[C](C(=C2O1)[C]1C=C([C](C(=C1)SC)SC)SC)C(=C(c1nccc2c1nn(n2)C)O3)OC)c1cc(c(c(c1)SC)SC)SC)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)occ3OC)c2cc(c(c(c2)SC)SC)SC)o1)OC	


key: CAN_SMILES
value:
  CSC1=C[C](C=C([C]1SC)SC)C1=C2OC(=C([C]2C(=C2[C]1C(=C(O2)c1nccc2c1nn(n2)C)OC)c1cc(SC)c(c(c1)SC)SC)OC)c1cnc(c2c1nn(n2)C)c1oc2c(c1OC)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(OC)co1	


key: InChI
value:
  InChI=1S/C72H66N8O8S12/c1-79-75-36-19-20-73-57(55(36)77-79)67-66(84-6)53-49(34-27-44(95-13)72(100-18)45(28-34)96-14)62-52(48(63(53)88-67)33-25-42(93-11)71(99-17)43(26-33)94-12)64(82-4)59(86-62)35-29-74-58(56-54(35)76-80(2)78-56)68-65(83-5)51-47(32-23-40(91-9)70(98-16)41(24-32)92-10)60-50(37(81-3)30-85-60)46(61(51)87-68)31-21-38(89-7)69(97-15)39(22-31)90-8/h19-30H,1-18H3


key: SMILES
value:
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key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(SC)c(oc2c(c2c1oc(c2SC)c1nccc2c1nn(n2)C)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nn(n2)C)c1oc2c(c1SC)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(SC)co1	


key: InChI
value:
  InChI=1S/C72H66N8O16S4/c1-79-75-36-19-20-73-57(55(36)77-79)68-72(100-18)53-49(34-27-43(87-9)63(92-14)44(28-34)88-10)66-52(48(67(53)96-68)33-25-41(85-7)62(91-13)42(26-33)86-8)70(98-16)59(94-66)35-29-74-58(56-54(35)76-80(2)78-56)69-71(99-17)51-47(32-23-39(83-5)61(90-12)40(24-32)84-6)64-50(45(97-15)30-93-64)46(65(51)95-69)31-21-37(81-3)60(89-11)38(22-31)82-4/h19-30H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1nn(n2)C)n3C)F)c1cc(c(c(c1)SC)SC)SC)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)n(cc3F)C)c2cc(c(c(c2)SC)SC)SC)n1C)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1nn(n2)C)c1cc(SC)c(c(c1)SC)SC)C)c1cnc(c2c1nn(n2)C)c1c(F)c2c(n1C)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)n(C)cc1F	


key: InChI
value:
  InChI=1S/C72H66F4N12S12/c1-83-30-36(73)50-46(31-21-38(89-7)69(97-15)39(22-31)90-8)64-51(47(63(50)83)32-23-40(91-9)70(98-16)41(24-32)92-10)55(75)68(85(64)3)61-59-57(80-88(6)82-59)35(29-78-61)62-54(74)52-48(33-25-42(93-11)71(99-17)43(26-33)94-12)66-53(56(76)67(86(66)4)60-58-37(19-20-77-60)79-87(5)81-58)49(65(52)84(62)2)34-27-44(95-13)72(100-18)45(28-34)96-14/h19-30H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1nn(n2)C)o3)F)c1cc(c(c(c1)SC)SC)SC)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)occ3F)c2cc(c(c(c2)SC)SC)SC)o1)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(F)c(oc2c(c2c1oc(c2F)c1nccc2c1nn(n2)C)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nn(n2)C)c1oc2c(c1F)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(F)co1	


key: InChI
value:
  InChI=1S/C68H54F4N8O4S12/c1-79-75-33-15-16-73-56(54(33)77-79)63-52(72)49-45(30-23-40(91-9)68(96-14)41(24-30)92-10)61-48(44(62(49)84-63)29-21-38(89-7)67(95-13)39(22-29)90-8)50(70)58(82-61)31-25-74-57(55-53(31)76-80(2)78-55)64-51(71)47-43(28-19-36(87-5)66(94-12)37(20-28)88-6)59-46(32(69)26-81-59)42(60(47)83-64)27-17-34(85-3)65(93-11)35(18-27)86-4/h15-26H,1-14H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)C1=C[C]2C(=C3[C](C(=C2O1)c1cc(c(c(c1)SC)SC)SC)C=C(c1nccc2c1nn(n2)C)O3)c1cc(c(c(c1)SC)SC)SC)c1cc2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)occ3)[C]2C=C([C](C(=C2)SC)SC)SC)o1	


key: CAN_SMILES
value:
  CS[C]1C(=C[C](C=C1SC)c1c2oc(cc2c(c2c1cco2)c1cc(SC)c(c(c1)SC)SC)c1ncc(c2c1nn(n2)C)C1=C[C]2C(=C(c3cc(SC)c(c(c3)SC)SC)[C]3C(=C2c2cc(SC)c(c(c2)SC)SC)OC(=C3)c2nccc3c2nn(n3)C)O1)SC	


key: InChI
value:
  InChI=1S/C68H58N8O4S12/c1-75-71-40-15-17-69-58(57(40)73-75)42-29-38-55(34-25-50(87-9)68(92-14)51(26-34)88-10)63-36(54(64(38)79-42)33-23-48(85-7)67(91-13)49(24-33)86-8)27-41(78-63)39-30-70-59(60-56(39)72-76(2)74-60)43-28-37-53(32-21-46(83-5)66(90-12)47(22-32)84-6)61-35(16-18-77-61)52(62(37)80-43)31-19-44(81-3)65(89-11)45(20-31)82-4/h15-30H,1-14H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)sc(c3F)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3cc(c(c(c3)SC)SC)SC)scc4F)c3cc(c(c(c3)SC)SC)SC)s2)F)c2cc(c(c(c2)SC)SC)SC)s1)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(F)c(sc2c(c2c1sc(c2F)c1nccc2c1nn(n2)C)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nn(n2)C)c1sc2c(c1F)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(F)cs1	


key: InChI
value:
  InChI=1S/C68H54F4N8S16/c1-79-75-33-15-16-73-56(54(33)77-79)67-52(72)49-45(30-23-40(87-9)62(92-14)41(24-30)88-10)65-48(44(66(49)96-67)29-21-38(85-7)61(91-13)39(22-29)86-8)50(70)58(94-65)31-25-74-57(55-53(31)76-80(2)78-55)68-51(71)47-43(28-19-36(83-5)60(90-12)37(20-28)84-6)63-46(32(69)26-93-63)42(64(47)95-68)27-17-34(81-3)59(89-11)35(18-27)82-4/h15-26H,1-14H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1cc2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)sc(c3)c2cnc(c3c2nn(n3)C)c2cc3c(c(c4c(c3c3cc(c(c(c3)SC)SC)SC)scc4)c3cc(c(c(c3)SC)SC)SC)s2)c2cc(c(c(c2)SC)SC)SC)s1	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2cc(sc2c(c2c1sc(c2)c1nccc2c1nn(n2)C)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nn(n2)C)c1cc2c(s1)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)scc1	


key: InChI
value:
  InChI=1S/C68H58N8S16/c1-75-71-40-15-17-69-58(57(40)73-75)42-29-38-55(34-25-50(83-9)68(88-14)51(26-34)84-10)63-36(54(64(38)91-42)33-23-48(81-7)67(87-13)49(24-33)82-8)27-41(90-63)39-30-70-59(60-56(39)72-76(2)74-60)43-28-37-53(32-21-46(79-5)66(86-12)47(22-32)80-6)61-35(16-18-89-61)52(62(37)92-43)31-19-44(77-3)65(85-11)45(20-31)78-4/h15-30H,1-14H3


key: SMILES
value:
  c1(nccc2c1nn(n2)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)sc(c3C)c2cnc(c3c2nn(n3)C)c2c(c3c(c(c4c(c3c3cc(c(c(c3)SC)SC)SC)scc4C)c3cc(c(c(c3)SC)SC)SC)s2)C)c2cc(c(c(c2)SC)SC)SC)s1)C	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(C)c(sc2c(c2c1sc(c2C)c1nccc2c1nn(n2)C)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nn(n2)C)c1sc2c(c1C)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(C)cs1	


key: InChI
value:
  InChI=1S/C72H66N8S16/c1-31-30-93-69-49(31)53(35-21-41(81-7)65(89-15)42(22-35)82-8)70-51(54(69)36-23-43(83-9)66(90-16)44(24-36)84-10)33(3)64(96-70)61-59-57(76-80(6)78-59)39(29-74-61)62-32(2)50-55(37-25-45(85-11)67(91-17)46(26-37)86-12)72-52(34(4)63(95-72)60-58-40(19-20-73-60)75-79(5)77-58)56(71(50)94-62)38-27-47(87-13)68(92-18)48(28-38)88-14/h19-30H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1nn(n2)C)o3)C)c1cc(c(c(c1)SC)SC)SC)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)occ3C)c2cc(c(c(c2)SC)SC)SC)o1)C	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(C)c(oc2c(c2c1oc(c2C)c1nccc2c1nn(n2)C)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nn(n2)C)c1oc2c(c1C)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(C)co1	


key: InChI
value:
  InChI=1S/C72H66N8O4S12/c1-31-30-81-65-49(31)53(35-21-41(85-7)69(93-15)42(22-35)86-8)66-51(54(65)36-23-43(87-9)70(94-16)44(24-36)88-10)33(3)64(84-66)61-59-57(76-80(6)78-59)39(29-74-61)62-32(2)50-55(37-25-45(89-11)71(95-17)46(26-37)90-12)68-52(34(4)63(83-68)60-58-40(19-20-73-60)75-79(5)77-58)56(67(50)82-62)38-27-47(91-13)72(96-18)48(28-38)92-14/h19-30H,1-18H3


key: InChI
value:
  InChI=1S/C34H16F4N6S6/c1-9-8-45-31-15(9)19(35)32-17(20(31)36)11(3)30(48-32)27-25-23(42-50-44-25)13(7-40-27)28-10(2)16-21(37)34-18(22(38)33(16)46-28)12(4)29(47-34)26-24-14(5-6-39-26)41-49-43-24/h5-8H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)F)c(c(c1nccc2c1nsn2)s3)OC)F)OC)c1c(c2c(c(c3c(c2F)scc3OC)F)s1)OC	


key: InChI
value:
  InChI=1S/C34H16F4N6O4S6/c1-45-11-8-49-29-12(11)16(35)30-13(17(29)36)26(47-3)34(51-30)24-22-20(42-54-44-22)9(7-40-24)28-25(46-2)14-18(37)32-15(19(38)31(14)50-28)27(48-4)33(52-32)23-21-10(5-6-39-23)41-53-43-21/h5-8H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1nn(n2)C)o3)SC)c1cc(c(c(c1)SC)SC)SC)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)occ3SC)c2cc(c(c(c2)SC)SC)SC)o1)SC	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(SC)c(oc2c(c2c1oc(c2SC)c1nccc2c1nn(n2)C)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nn(n2)C)c1oc2c(c1SC)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(SC)co1	


key: InChI
value:
  InChI=1S/C72H66N8O4S16/c1-79-75-36-19-20-73-57(55(36)77-79)64-72(100-18)53-49(34-27-43(91-9)69(97-15)44(28-34)92-10)62-52(48(63(53)84-64)33-25-41(89-7)68(96-14)42(26-33)90-8)70(98-16)59(82-62)35-29-74-58(56-54(35)76-80(2)78-56)65-71(99-17)51-47(32-23-39(87-5)67(95-13)40(24-32)88-6)60-50(45(93-11)30-81-60)46(61(51)83-65)31-21-37(85-3)66(94-12)38(22-31)86-4/h19-30H,1-18H3


key: SMILES
value:
  c1(ncc(c2c1nn(n2)C)c1cc2c(c3c(c(c2n1C)c1cc(c(c(c1)SC)SC)SC)cc(c1nccc2c1nn(n2)C)n3C)c1cc(c(c(c1)SC)SC)SC)c1cc2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)n(cc3)C)c2cc(c(c(c2)SC)SC)SC)n1C	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2cc(n(c2c(c2c1n(C)c(c2)c1nccc2c1nn(n2)C)c1cc(SC)c(c(c1)SC)SC)C)c1cnc(c2c1nn(n2)C)c1cc2c(n1C)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)n(C)cc1	


key: InChI
value:
  InChI=1S/C72H70N12S12/c1-79-22-20-39-56(35-23-48(85-7)69(93-15)49(24-35)86-8)66-41(57(65(39)79)36-25-50(87-9)70(94-16)51(26-36)88-10)32-47(82(66)4)63-64-60(76-84(6)78-64)43(34-74-63)45-31-40-58(37-27-52(89-11)71(95-17)53(28-37)90-12)68-42(33-46(81(68)3)62-61-44(19-21-73-62)75-83(5)77-61)59(67(40)80(45)2)38-29-54(91-13)72(96-18)55(30-38)92-14/h19-34H,1-18H3


key: InChI
value:
  InChI=1S/C34H32N10O2S4/c1-41-12-10-22(47-5)31(41)32-24(49-7)15-21(43(32)3)29-30-26(38-46-40-30)17(16-36-29)19-13-23(48-6)33(42(19)2)34-25(50-8)14-20(44(34)4)28-27-18(9-11-35-28)37-45-39-27/h9-16H,1-8H3


key: InChI
value:
  InChI=1S/C30H20N6O6S4/c1-43-18-6-8-37-27(18)28-20(45-3)11-17(39-28)25-26-22(34-42-36-26)13(12-32-25)15-9-19(44-2)29(38-15)30-21(46-4)10-16(40-30)24-23-14(5-7-31-24)33-41-35-23/h5-12H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2n1C)C)c(c(c1nccc2c1non2)n3C)F)C)F)c1c(c2c(c(c3c(c2C)n(cc3F)C)C)n1C)F	


key: CAN_SMILES
value:
  Cn1c(c2cnc(c3c2non3)c2n(C)c3c(c2F)c(C)c2c(c3C)c(F)cn2C)c(c2c1c(C)c1c(c2C)n(c(c1F)c1nccc2c1non2)C)F	


key: InChI
value:
  InChI=1S/C38H28F4N10O2/c1-13-20-18(39)12-49(5)32(20)14(2)21-25(41)38(51(7)33(13)21)31-29-27(46-54-48-29)17(11-44-31)36-24(40)22-15(3)35-23(16(4)34(22)50(36)6)26(42)37(52(35)8)30-28-19(9-10-43-30)45-53-47-28/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C38H28N6O2S4/c1-13-12-47-33-16(4)25-19(7)38(49-34(25)14(2)23(13)33)31-29-27(42-46-44-29)21(11-40-31)32-15(3)24-17(5)36-26(18(6)35(24)48-32)20(8)37(50-36)30-28-22(9-10-39-30)41-45-43-28/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C38H28N6O2S8/c1-13-20-19(47-5)12-51-29(20)14(2)21-30(13)53-38(35(21)49-7)28-26-24(42-46-44-26)17(11-40-28)33-34(48-6)22-15(3)32-23(16(4)31(22)52-33)36(50-8)37(54-32)27-25-18(9-10-39-27)41-45-43-25/h9-12H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2n1C)F)c(c(c1nccc2c1non2)n3C)F)F)F)c1c(c2c(c(c3c(c2F)n(cc3F)C)F)n1C)F	


key: CAN_SMILES
value:
  Cn1c(c2cnc(c3c2non3)c2n(C)c3c(c2F)c(F)c2c(c3F)c(F)cn2C)c(c2c1c(F)c1c(c2F)n(c(c1F)c1nccc2c1non2)C)F	


key: InChI
value:
  InChI=1S/C34H16F8N10O2/c1-49-8-10(35)12-16(36)30-14(18(38)29(12)49)21(41)34(51(30)3)27-25-23(46-54-48-25)9(7-44-27)28-17(37)13-19(39)32-15(20(40)31(13)50(28)2)22(42)33(52(32)4)26-24-11(5-6-43-26)45-53-47-24/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C34H20F4N10O2/c1-45-12-18(35)13-7-21-14(8-20(13)45)25(37)34(47(21)3)31-29-27(42-50-44-29)17(11-40-31)32-24(36)15-9-23-16(10-22(15)46(32)2)26(38)33(48(23)4)30-28-19(5-6-39-30)41-49-43-28/h5-12H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)OC)c(c(c1nccc2c1non2)s3)OC)OC)OC)c1c(c2c(c(c3c(c2OC)scc3OC)OC)s1)OC	


key: CAN_SMILES
value:
  COc1c(sc2c1c(OC)c1c(c2OC)c(c(s1)c1nccc2c1non2)OC)c1cnc(c2c1non2)c1sc2c(c1OC)c(OC)c1c(c2OC)c(OC)cs1	


key: InChI
value:
  InChI=1S/C38H28N6O10S4/c1-45-15-12-55-33-16(15)25(46-2)34-18(27(33)48-4)30(51-7)38(57-34)24-22-20(42-54-44-22)13(11-40-24)32-26(47-3)17-28(49-5)36-19(29(50-6)35(17)56-32)31(52-8)37(58-36)23-21-14(9-10-39-23)41-53-43-21/h9-12H,1-8H3


key: SMILES
value:
  c1(nccc2c1non2)c1c(c2c(c(c3c(c2OC)sc(c3SC)c2cnc(c3c2non3)c2c(c3c(c(c4c(c3OC)scc4SC)OC)s2)SC)OC)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(OC)c1c(c2OC)c(c(s1)c1nccc2c1non2)SC)c1cnc(c2c1non2)c1sc2c(c1SC)c(OC)c1c(c2OC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C38H28N6O6S8/c1-45-25-16-15(51-5)12-55-30(16)26(46-2)17-31(25)57-38(35(17)53-7)24-22-20(42-50-44-22)13(11-40-24)29-34(52-6)18-27(47-3)33-19(28(48-4)32(18)56-29)36(54-8)37(58-33)23-21-14(9-10-39-23)41-49-43-21/h9-12H,1-8H3


key: SMILES
value:
  c1(nccc2c1non2)c1c(c2c(c(c3c(c2SC)n(c(c3F)c2cnc(c3c2non3)c2c(c3c(c(c4c(c3SC)n(cc4F)C)SC)n2C)F)C)SC)n1C)F	


key: CAN_SMILES
value:
  CSc1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1non2)SC)C)c1cnc(c2c1non2)c1c(F)c2c(n1C)c(SC)c1c(c2SC)n(C)cc1F	


key: InChI
value:
  InChI=1S/C38H28F4N10O2S4/c1-49-12-14(39)16-29(49)36(56-6)18-21(41)34(51(3)30(18)35(16)55-5)27-25-23(46-54-48-25)13(11-44-27)28-20(40)17-31(50(28)2)38(58-8)19-22(42)33(52(4)32(19)37(17)57-7)26-24-15(9-10-43-26)45-53-47-24/h9-12H,1-8H3


key: SMILES
value:
  c1(nccc2c1non2)c1c(c2c(c(c3c(c2SC)oc(c3F)c2cnc(c3c2non3)C2=C([C]3C(=C([C]4C(=C3SC)OC=C4F)SC)O2)F)SC)o1)F	


key: CAN_SMILES
value:
  CSC1=C2OC(=C([C]2C(=C2[C]1C(=CO2)F)SC)F)c1ncc(c2c1non2)c1oc2c(c1F)c(SC)c1c(c2SC)c(F)c(o1)c1nccc2c1non2	


key: InChI
value:
  InChI=1S/C34H16F4N6O6S4/c1-51-31-12-10(35)8-45-25(12)32(52-2)14-17(37)30(47-26(14)31)23-21-19(42-50-44-21)9(7-40-23)24-16(36)13-27(46-24)34(54-4)15-18(38)29(48-28(15)33(13)53-3)22-20-11(5-6-39-22)41-49-43-20/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C34H16F4N6O2S8/c1-47-25-12-10(35)8-51-29(12)26(48-2)14-17(37)34(53-30(14)25)23-21-19(42-46-44-21)9(7-40-23)24-16(36)13-27(49-3)32-15(28(50-4)31(13)52-24)18(38)33(54-32)22-20-11(5-6-39-22)41-45-43-20/h5-8H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1non2)o3)C)c1cc(c(c(c1)C)C)C)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3C)c2cc(c(c(c2)C)C)C)o1)C	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2c(C)c(oc2c(c2c1oc(c2C)c1nccc2c1non2)c1cc(C)c(c(c1)C)C)c1cnc(c2c1non2)c1oc2c(c1C)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(C)co1	


key: InChI
value:
  InChI=1S/C70H60N6O6/c1-29-19-45(20-30(2)38(29)10)55-51-37(9)28-77-67(51)56(46-21-31(3)39(11)32(4)22-46)53-43(15)66(80-68(53)55)63-61-59(74-82-76-61)49(27-72-63)64-42(14)52-57(47-23-33(5)40(12)34(6)24-47)70-54(58(69(52)78-64)48-25-35(7)41(13)36(8)26-48)44(16)65(79-70)62-60-50(17-18-71-62)73-81-75-60/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1non2)s3)C)c1cc(c(c(c1)C)C)C)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)scc3C)c2cc(c(c(c2)C)C)C)s1)C	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2c(C)c(sc2c(c2c1sc(c2C)c1nccc2c1non2)c1cc(C)c(c(c1)C)C)c1cnc(c2c1non2)c1sc2c(c1C)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(C)cs1	


key: InChI
value:
  InChI=1S/C70H60N6O2S4/c1-29-19-45(20-30(2)38(29)10)55-51-37(9)28-79-67(51)56(46-21-31(3)39(11)32(4)22-46)53-43(15)66(82-68(53)55)63-61-59(74-78-76-61)49(27-72-63)64-42(14)52-57(47-23-33(5)40(12)34(6)24-47)70-54(58(69(52)80-64)48-25-35(7)41(13)36(8)26-48)44(16)65(81-70)62-60-50(17-18-71-62)73-77-75-60/h17-28H,1-16H3


key: SMILES
value:
  c1(nccc2c1non2)c1cc2c(c(c3c(c2c2cc(c(C)c(c2)C)C)sc(c3)c2cnc(c3c2non3)c2cc3c(c(c4c(c3c3cc(c(C)c(c3)C)C)scc4)c3cc(c(c(c3)C)C)C)s2)c2cc(c(c(c2)C)C)C)s1	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2cc(sc2c(c2c1sc(c2)c1nccc2c1non2)c1cc(C)c(c(c1)C)C)c1cnc(c2c1non2)c1sc2c(c1)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)ccs1	


key: InChI
value:
  InChI=1S/C66H52N6O2S4/c1-29-17-41(18-30(2)37(29)9)54-45-14-16-75-63(45)55(42-19-31(3)38(10)32(4)20-42)47-26-53(78-64(47)54)61-62-58(70-74-72-62)49(28-68-61)51-25-46-56(43-21-33(5)39(11)34(6)22-43)66-48(27-52(77-66)60-59-50(13-15-67-60)69-73-71-59)57(65(46)76-51)44-23-35(7)40(12)36(8)24-44/h13-28H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1non2)n3C)OC)c1cc(c(c(c1)C)C)C)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)n(cc3OC)C)c2cc(c(c(c2)C)C)C)n1C)OC	


key: CAN_SMILES
value:
  COc1cn(c2c1c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(c(n1C)c1ncc(c2c1non2)c1n(C)c2c(c1OC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)c(n1C)c1nccc2c1non2)OC)C	


key: InChI
value:
  InChI=1S/C74H72N10O6/c1-33-23-45(24-34(2)41(33)9)52-56-51(85-17)32-81(13)66(56)53(46-25-35(3)42(10)36(4)26-46)57-67(52)83(15)71(73(57)87-19)64-62-60(78-90-80-62)49(31-76-64)65-72(86-18)58-54(47-27-37(5)43(11)38(6)28-47)69-59(55(68(58)82(65)14)48-29-39(7)44(12)40(8)30-48)74(88-20)70(84(69)16)63-61-50(21-22-75-63)77-89-79-61/h21-32H,1-20H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1non2)o3)OC)c1cc(c(c(c1)C)C)C)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3OC)c2cc(c(c(c2)C)C)C)o1)OC	


key: CAN_SMILES
value:
  COc1c(oc2c1c(c1cc(C)c(c(c1)C)C)c1oc(c(c1c2c1cc(C)c(c(c1)C)C)OC)c1nccc2c1non2)c1cnc(c2c1non2)c1oc2c(c1OC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)co1	


key: InChI
value:
  InChI=1S/C70H60N6O10/c1-29-19-41(20-30(2)37(29)9)48-52-47(77-13)28-81-62(52)49(42-21-31(3)38(10)32(4)22-42)53-63(48)83-70(67(53)79-15)60-58-56(74-86-76-58)45(27-72-60)61-66(78-14)54-50(43-23-33(5)39(11)34(6)24-43)65-55(51(64(54)82-61)44-25-35(7)40(12)36(8)26-44)68(80-16)69(84-65)59-57-46(17-18-71-59)73-85-75-57/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1non2)o3)SC)c1cc(c(c(c1)C)C)C)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3SC)c2cc(c(c(c2)C)C)C)o1)SC	


key: CAN_SMILES
value:
  CSc1c(oc2c1c(c1cc(C)c(c(c1)C)C)c1oc(c(c1c2c1cc(C)c(c(c1)C)C)SC)c1nccc2c1non2)c1cnc(c2c1non2)c1oc2c(c1SC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(SC)co1	


key: InChI
value:
  InChI=1S/C70H60N6O6S4/c1-29-19-41(20-30(2)37(29)9)48-52-47(83-13)28-77-62(52)49(42-21-31(3)38(10)32(4)22-42)53-63(48)79-67(69(53)85-15)60-58-56(74-82-76-58)45(27-72-60)61-68(84-14)54-50(43-23-33(5)39(11)34(6)24-43)65-55(51(64(54)78-61)44-25-35(7)40(12)36(8)26-44)70(86-16)66(80-65)59-57-46(17-18-71-59)73-81-75-57/h17-28H,1-16H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(cc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7cc(c(s7)c7c(ccs7)SC)SC)o6)C)C)nc4)non5)o3)C)C)SC)SC)o1)C)C)c1c(c(co1)C)C)non2	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc(cc1SC)c1oc(c(c1C)C)c1ncc(c2c1non2)c1occ(c1C)C)c1oc(c(c1C)C)c1cnc(c2c1non2)c1oc(c(c1C)C)c1cc(c(s1)c1sccc1SC)SC	


key: InChI
value:
  InChI=1S/C54H44N6O6S8/c1-21-20-61-44(22(21)2)29-18-55-42(40-38(29)57-65-59-40)49-28(8)26(6)48(64-49)34-17-37(70-12)54(74-34)53-36(69-11)16-32(73-53)46-24(4)23(3)45(62-46)30-19-56-43(41-39(30)58-66-60-41)50-27(7)25(5)47(63-50)33-15-35(68-10)52(72-33)51-31(67-9)13-14-71-51/h13-20H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1non2)o3)SC)c1cc(c(c(c1)F)F)F)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3SC)c2cc(c(c(c2)F)F)F)o1)SC	


key: CAN_SMILES
value:
  CSc1c(oc2c1c(c1cc(F)c(c(c1)F)F)c1oc(c(c1c2c1cc(F)c(c(c1)F)F)SC)c1nccc2c1non2)c1cnc(c2c1non2)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(SC)co1	


key: InChI
value:
  InChI=1S/C58H24F12N6O6S4/c1-83-31-16-77-50-33(18-9-24(61)41(68)25(62)10-18)37-51(32(36(31)50)17-7-22(59)40(67)23(60)8-17)79-55(57(37)85-3)48-46-44(74-82-76-46)21(15-72-48)49-56(84-2)38-34(19-11-26(63)42(69)27(64)12-19)53-39(35(52(38)78-49)20-13-28(65)43(70)29(66)14-20)58(86-4)54(80-53)47-45-30(5-6-71-47)73-81-75-45/h5-16H,1-4H3


key: SMILES
value:
  c1(nccc2c1non2)c1c(c2c(c(c3c(c2c2ccccc2)n(c(c3F)c2cnc(c3c2non3)c2c(c3c(c(c4c(c3c3ccccc3)n(cc4F)C)c3ccccc3)n2C)F)C)c2ccccc2)n1C)F	


key: CAN_SMILES
value:
  Fc1cn(c2c1c(c1ccccc1)c1n(C)c(c(c1c2c1ccccc1)F)c1ncc(c2c1non2)c1c(F)c2c(n1C)c(c1ccccc1)c1c(c2c2ccccc2)n(C)c(c1F)c1nccc2c1non2)C	


key: InChI
value:
  InChI=1S/C58H36F4N10O2/c1-69-28-34(59)40-36(29-17-9-5-10-18-29)54-41(37(53(40)69)30-19-11-6-12-20-30)45(61)58(71(54)3)51-49-47(66-74-68-49)33(27-64-51)52-44(60)42-38(31-21-13-7-14-22-31)56-43(39(55(42)70(52)2)32-23-15-8-16-24-32)46(62)57(72(56)4)50-48-35(25-26-63-50)65-73-67-48/h5-28H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)c1ccccc1)c(c(c1nccc2c1non2)s3)OC)c1ccccc1)OC)c1c(c2c(c(c3c(c2c2ccccc2)scc3OC)c2ccccc2)s1)OC	


key: CAN_SMILES
value:
  COc1c(sc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(s1)c1nccc2c1non2)OC)c1cnc(c2c1non2)c1sc2c(c1OC)c(c1ccccc1)c1c(c2c2ccccc2)c(OC)cs1	


key: InChI
value:
  InChI=1S/C58H36N6O6S4/c1-65-35-28-71-53-37(30-19-11-6-12-20-30)41-50(67-3)58(73-54(41)36(40(35)53)29-17-9-5-10-18-29)48-46-44(62-70-64-46)33(27-60-48)52-49(66-2)42-38(31-21-13-7-14-22-31)56-43(39(55(42)72-52)32-23-15-8-16-24-32)51(68-4)57(74-56)47-45-34(25-26-59-47)61-69-63-45/h5-28H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1ccccc1)c(c(c1nccc2c1non2)o3)SC)c1ccccc1)SC)c1c(c2c(c(c3c(c2c2ccccc2)occ3SC)c2ccccc2)o1)SC	


key: CAN_SMILES
value:
  CSc1c(oc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(o1)c1nccc2c1non2)SC)c1cnc(c2c1non2)c1oc2c(c1SC)c(c1ccccc1)c1c(c2c2ccccc2)c(SC)co1	


key: InChI
value:
  InChI=1S/C58H36N6O6S4/c1-71-35-28-65-50-37(30-19-11-6-12-20-30)41-51(36(40(35)50)29-17-9-5-10-18-29)67-55(57(41)73-3)48-46-44(62-70-64-46)33(27-60-48)49-56(72-2)42-38(31-21-13-7-14-22-31)53-43(39(52(42)66-49)32-23-15-8-16-24-32)58(74-4)54(68-53)47-45-34(25-26-59-47)61-69-63-45/h5-28H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)c1ccccc1)c(c(c1nccc2c1non2)s3)SC)c1ccccc1)SC)c1c(c2c(c(c3c(c2c2ccccc2)scc3SC)c2ccccc2)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(s1)c1nccc2c1non2)SC)c1cnc(c2c1non2)c1sc2c(c1SC)c(c1ccccc1)c1c(c2c2ccccc2)c(SC)cs1	


key: InChI
value:
  InChI=1S/C58H36N6O2S8/c1-67-35-28-71-50-37(30-19-11-6-12-20-30)41-51(36(40(35)50)29-17-9-5-10-18-29)73-58(55(41)69-3)48-46-44(62-66-64-46)33(27-60-48)49-54(68-2)42-38(31-21-13-7-14-22-31)53-43(39(52(42)72-49)32-23-15-8-16-24-32)56(70-4)57(74-53)47-45-34(25-26-59-47)61-65-63-45/h5-28H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1non2)n3C)F)c1cc(c(c(c1)OC)OC)OC)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)n(cc3F)C)c2cc(c(c(c2)OC)OC)OC)n1C)F	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1non2)c1cc(OC)c(c(c1)OC)OC)C)c1cnc(c2c1non2)c1c(F)c2c(n1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)n(C)cc1F	


key: InChI
value:
  InChI=1S/C70H60F4N10O14/c1-81-28-34(71)48-44(29-19-36(85-5)67(93-13)37(20-29)86-6)62-49(45(61(48)81)30-21-38(87-7)68(94-14)39(22-30)88-8)53(73)66(83(62)3)59-57-55(78-98-80-57)33(27-76-59)60-52(72)50-46(31-23-40(89-9)69(95-15)41(24-31)90-10)64-51(54(74)65(84(64)4)58-56-35(17-18-75-58)77-97-79-56)47(63(50)82(60)2)32-25-42(91-11)70(96-16)43(26-32)92-12/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1non2)s3)F)c1cc(c(c(c1)OC)OC)OC)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)scc3F)c2cc(c(c(c2)OC)OC)OC)s1)F	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(F)c(sc2c(c2c1sc(c2F)c1nccc2c1non2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1non2)c1sc2c(c1F)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(F)cs1	


key: InChI
value:
  InChI=1S/C66H48F4N6O14S4/c1-77-32-15-25(16-33(78-2)56(32)85-9)40-44-30(67)24-91-61(44)41(26-17-34(79-3)57(86-10)35(18-26)80-4)45-49(69)66(93-62(40)45)55-53-51(74-90-76-53)29(23-72-55)60-48(68)46-42(27-19-36(81-5)58(87-11)37(20-27)82-6)64-47(50(70)65(94-64)54-52-31(13-14-71-54)73-89-75-52)43(63(46)92-60)28-21-38(83-7)59(88-12)39(22-28)84-8/h13-24H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1cc2c(c3c(c(c2n1C)c1cc(c(c(c1)OC)OC)OC)cc(c1nccc2c1non2)n3C)c1cc(c(c(c1)OC)OC)OC)c1cc2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)n(cc3)C)c2cc(c(c(c2)OC)OC)OC)n1C	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2cc(n(c2c(c2c1n(C)c(c2)c1nccc2c1non2)c1cc(OC)c(c(c1)OC)OC)C)c1cnc(c2c1non2)c1cc2c(n1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)n(C)cc1	


key: InChI
value:
  InChI=1S/C70H64N10O14/c1-77-20-18-37-54(33-21-46(81-5)67(89-13)47(22-33)82-6)64-39(55(63(37)77)34-23-48(83-7)68(90-14)49(24-34)84-8)30-45(80(64)4)61-62-58(74-94-76-62)41(32-72-61)43-29-38-56(35-25-50(85-9)69(91-15)51(26-35)86-10)66-40(31-44(79(66)3)60-59-42(17-19-71-60)73-93-75-59)57(65(38)78(43)2)36-27-52(87-11)70(92-16)53(28-36)88-12/h17-32H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1non2)n3C)OC)c1cc(c(c(c1)OC)OC)OC)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)n(cc3OC)C)c2cc(c(c(c2)OC)OC)OC)n1C)OC	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(OC)c(n(c2c(c2c1n(C)c(c2OC)c1nccc2c1non2)c1cc(OC)c(c(c1)OC)OC)C)c1cnc(c2c1non2)c1c(OC)c2c(n1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)n(C)cc1OC	


key: InChI
value:
  InChI=1S/C74H72N10O18/c1-81-32-47(93-13)52-48(33-23-39(85-5)68(94-14)40(24-33)86-6)63-53(49(62(52)81)34-25-41(87-7)69(95-15)42(26-34)88-8)73(99-19)67(83(63)3)60-58-56(78-102-80-58)37(31-76-60)61-72(98-18)54-50(35-27-43(89-9)70(96-16)44(28-35)90-10)65-55(74(100-20)66(84(65)4)59-57-38(21-22-75-59)77-101-79-57)51(64(54)82(61)2)36-29-45(91-11)71(97-17)46(30-36)92-12/h21-32H,1-20H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1non2)o3)SC)c1cc(c(c(c1)OC)OC)OC)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)occ3SC)c2cc(c(c(c2)OC)OC)OC)o1)SC	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(SC)c(oc2c(c2c1oc(c2SC)c1nccc2c1non2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1non2)c1oc2c(c1SC)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(SC)co1	


key: InChI
value:
  InChI=1S/C70H60N6O18S4/c1-77-35-19-29(20-36(78-2)58(35)85-9)44-48-43(95-13)28-89-62(48)45(30-21-37(79-3)59(86-10)38(22-30)80-4)49-63(44)91-67(69(49)97-15)56-54-52(74-94-76-54)33(27-72-56)57-68(96-14)50-46(31-23-39(81-5)60(87-11)40(24-31)82-6)65-51(70(98-16)66(92-65)55-53-34(17-18-71-55)73-93-75-53)47(64(50)90-57)32-25-41(83-7)61(88-12)42(26-32)84-8/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1non2)n3C)OC)c1cc(c(c(c1)SC)SC)SC)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)n(cc3OC)C)c2cc(c(c(c2)SC)SC)SC)n1C)OC	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(OC)c(n(c2c(c2c1n(C)c(c2OC)c1nccc2c1non2)c1cc(SC)c(c(c1)SC)SC)C)c1cnc(c2c1non2)c1c(OC)c2c(n1C)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)n(C)cc1OC	


key: InChI
value:
  InChI=1S/C74H72N10O6S12/c1-81-32-39(85-5)52-48(33-23-40(91-9)71(99-17)41(24-33)92-10)63-53(49(62(52)81)34-25-42(93-11)72(100-18)43(26-34)94-12)69(87-7)67(83(63)3)60-58-56(78-90-80-58)37(31-76-60)61-68(86-6)54-50(35-27-44(95-13)73(101-19)45(28-35)96-14)65-55(70(88-8)66(84(65)4)59-57-38(21-22-75-59)77-89-79-57)51(64(54)82(61)2)36-29-46(97-15)74(102-20)47(30-36)98-16/h21-32H,1-20H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1non2)o3)SC)c1cc(c(c(c1)SC)SC)SC)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)occ3SC)c2cc(c(c(c2)SC)SC)SC)o1)SC	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(SC)c(oc2c(c2c1oc(c2SC)c1nccc2c1non2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1non2)c1oc2c(c1SC)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(SC)co1	


key: InChI
value:
  InChI=1S/C70H60N6O6S16/c1-83-35-19-29(20-36(84-2)64(35)92-10)44-48-43(91-9)28-77-58(48)45(30-21-37(85-3)65(93-11)38(22-30)86-4)49-59(44)79-63(69(49)97-15)56-54-52(74-82-76-54)33(27-72-56)57-68(96-14)50-46(31-23-39(87-5)66(94-12)40(24-31)88-6)61-51(70(98-16)62(80-61)55-53-34(17-18-71-55)73-81-75-53)47(60(50)78-57)32-25-41(89-7)67(95-13)42(26-32)90-8/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1non2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1non2)s3)SC)c1cc(c(c(c1)SC)SC)SC)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)scc3SC)c2cc(c(c(c2)SC)SC)SC)s1)SC	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(SC)c(sc2c(c2c1sc(c2SC)c1nccc2c1non2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1non2)c1sc2c(c1SC)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C70H60N6O2S20/c1-79-35-19-29(20-36(80-2)58(35)88-10)44-48-43(87-9)28-95-62(48)45(30-21-37(81-3)59(89-11)38(22-30)82-4)49-63(44)97-70(67(49)93-15)56-54-52(74-78-76-54)33(27-72-56)57-66(92-14)50-46(31-23-39(83-5)60(90-12)40(24-31)84-6)65-51(68(94-16)69(98-65)55-53-34(17-18-71-55)73-77-75-53)47(64(50)96-57)32-25-41(85-7)61(91-13)42(26-32)86-8/h17-28H,1-16H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2C)n(c(c3F)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3C)n(cc4F)C)C)n2C)F)C)C)n1C)F	


key: CAN_SMILES
value:
  Cn1c(c2cnc(c3c2nsn3)c2n(C)c3c(c2F)c(C)c2c(c3C)c(F)cn2C)c(c2c1c(C)c1c(c2C)n(c(c1F)c1nccc2c1nsn2)C)F	


key: InChI
value:
  InChI=1S/C38H28F4N10S2/c1-13-20-18(39)12-49(5)32(20)14(2)21-25(41)38(51(7)33(13)21)31-29-27(46-54-48-29)17(11-44-31)36-24(40)22-15(3)35-23(16(4)34(22)50(36)6)26(42)37(52(35)8)30-28-19(9-10-43-30)45-53-47-28/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C34H20N6S10/c1-41-23-12-45-19-8-14-20(7-13(19)23)47-34(30(14)43-3)28-26-24(38-50-40-26)17(11-36-28)32-29(42-2)15-9-22-16(10-21(15)46-32)31(44-4)33(48-22)27-25-18(5-6-35-27)37-49-39-25/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C30H8F4N6O4S2/c31-14-8-41-16-4-10-17(3-9(14)16)43-30(21(10)33)27-25-23(38-46-40-25)13(7-36-27)28-20(32)11-5-19-12(6-18(11)42-28)22(34)29(44-19)26-24-15(1-2-35-26)37-45-39-24/h1-8H


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2F)n(c(c3F)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3F)n(cc4F)C)F)n2C)F)C)F)n1C)F	


key: CAN_SMILES
value:
  Cn1c(c2cnc(c3c2nsn3)c2n(C)c3c(c2F)c(F)c2c(c3F)c(F)cn2C)c(c2c1c(F)c1c(c2F)n(c(c1F)c1nccc2c1nsn2)C)F	


key: InChI
value:
  InChI=1S/C34H16F8N10S2/c1-49-8-10(35)12-16(36)30-14(18(38)29(12)49)21(41)34(51(30)3)27-25-23(46-54-48-25)9(7-44-27)28-17(37)13-19(39)32-15(20(40)31(13)50(28)2)22(42)33(52(32)4)26-24-11(5-6-43-26)45-53-47-24/h5-8H,1-4H3


key: InChI
value:
  InChI=1S/C30H4F8N6O4S2/c31-6-4-45-25-8(6)12(32)26-10(14(25)34)17(37)30(47-26)23-21-19(42-50-44-21)5(3-40-23)24-13(33)9-15(35)28-11(16(36)27(9)46-24)18(38)29(48-28)22-20-7(1-2-39-22)41-49-43-20/h1-4H


key: InChI
value:
  InChI=1S/C30H8F4N6S6/c31-14-8-41-16-4-10-17(3-9(14)16)43-30(21(10)33)27-25-23(38-46-40-25)13(7-36-27)28-20(32)11-5-19-12(6-18(11)42-28)22(34)29(44-19)26-24-15(1-2-35-26)37-45-39-24/h1-8H


key: InChI
value:
  InChI=1S/C34H20N6O4S6/c1-41-19-12-45-20-8-14-21(7-13(19)20)47-34(30(14)43-3)28-26-24(38-50-40-26)17(11-36-28)32-29(42-2)15-9-23-16(10-22(15)46-32)31(44-4)33(48-23)27-25-18(5-6-35-27)37-49-39-25/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C34H20F4N10S2/c1-45-12-18(35)13-7-21-14(8-20(13)45)25(37)34(47(21)3)31-29-27(42-50-44-29)17(11-40-31)32-24(36)15-9-23-16(10-22(15)46(32)2)26(38)33(48(23)4)30-28-19(5-6-39-30)41-49-43-28/h5-12H,1-4H3


key: InChI
value:
  InChI=1S/C34H20N6S6/c1-13-12-41-23-8-18-15(3)34(43-24(18)7-17(13)23)31-29-27(38-46-40-29)21(11-36-31)32-14(2)19-9-26-20(10-25(19)42-32)16(4)33(44-26)30-28-22(5-6-35-30)37-45-39-28/h5-12H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nsn2)o3)OC)c1cc(c(c(c1)F)F)F)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3OC)c2cc(c(c(c2)F)F)F)o1)OC	


key: CAN_SMILES
value:
  COc1c(oc2c1c(c1cc(F)c(c(c1)F)F)c1oc(c(c1c2c1cc(F)c(c(c1)F)F)OC)c1nccc2c1nsn2)c1cnc(c2c1nsn2)c1oc2c(c1OC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(OC)co1	


key: InChI
value:
  InChI=1S/C58H24F12N6O8S2/c1-77-31-16-81-50-33(18-9-24(61)41(68)25(62)10-18)37-51(32(36(31)50)17-7-22(59)40(67)23(60)8-17)83-58(55(37)79-3)48-46-44(74-86-76-46)21(15-72-48)49-54(78-2)38-34(19-11-26(63)42(69)27(64)12-19)53-39(35(52(38)82-49)20-13-28(65)43(70)29(66)14-20)56(80-4)57(84-53)47-45-30(5-6-71-47)73-85-75-45/h5-16H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nsn2)s3)OC)c1cc(c(c(c1)F)F)F)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)scc3OC)c2cc(c(c(c2)F)F)F)s1)OC	


key: CAN_SMILES
value:
  COc1c(sc2c1c(c1cc(F)c(c(c1)F)F)c1sc(c(c1c2c1cc(F)c(c(c1)F)F)OC)c1nccc2c1nsn2)c1cnc(c2c1nsn2)c1sc2c(c1OC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(OC)cs1	


key: InChI
value:
  InChI=1S/C58H24F12N6O4S6/c1-77-31-16-81-53-33(18-9-24(61)41(68)25(62)10-18)37-50(79-3)58(83-54(37)32(36(31)53)17-7-22(59)40(67)23(60)8-17)48-46-44(74-86-76-46)21(15-72-48)52-49(78-2)38-34(19-11-26(63)42(69)27(64)12-19)56-39(35(55(38)82-52)20-13-28(65)43(70)29(66)14-20)51(80-4)57(84-56)47-45-30(5-6-71-47)73-85-75-45/h5-16H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nsn2)o3)SC)c1cc(c(c(c1)F)F)F)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)occ3SC)c2cc(c(c(c2)F)F)F)o1)SC	


key: CAN_SMILES
value:
  CSc1c(oc2c1c(c1cc(F)c(c(c1)F)F)c1oc(c(c1c2c1cc(F)c(c(c1)F)F)SC)c1nccc2c1nsn2)c1cnc(c2c1nsn2)c1oc2c(c1SC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(SC)co1	


key: InChI
value:
  InChI=1S/C58H24F12N6O4S6/c1-81-31-16-77-50-33(18-9-24(61)41(68)25(62)10-18)37-51(32(36(31)50)17-7-22(59)40(67)23(60)8-17)79-55(57(37)83-3)48-46-44(74-86-76-46)21(15-72-48)49-56(82-2)38-34(19-11-26(63)42(69)27(64)12-19)53-39(35(52(38)78-49)20-13-28(65)43(70)29(66)14-20)58(84-4)54(80-53)47-45-30(5-6-71-47)73-85-75-45/h5-16H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nsn2)n3C)OC)c1cc(c(c(c1)F)F)F)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)n(cc3OC)C)c2cc(c(c(c2)F)F)F)n1C)OC	


key: CAN_SMILES
value:
  COc1cn(c2c1c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(c(n1C)c1ncc(c2c1nsn2)c1n(C)c2c(c1OC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(OC)c(n1C)c1nccc2c1nsn2)OC)C	


key: InChI
value:
  InChI=1S/C62H36F12N10O4S2/c1-81-20-35(85-5)40-36(21-11-26(63)44(71)27(64)12-21)55-41(37(54(40)81)22-13-28(65)45(72)29(66)14-22)61(87-7)59(83(55)3)52-50-48(78-90-80-50)25(19-76-52)53-60(86-6)42-38(23-15-30(67)46(73)31(68)16-23)57-43(39(56(42)82(53)2)24-17-32(69)47(74)33(70)18-24)62(88-8)58(84(57)4)51-49-34(9-10-75-51)77-89-79-49/h9-20H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nsn2)s3)SC)c1cc(c(c(c1)F)F)F)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)scc3SC)c2cc(c(c(c2)F)F)F)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(c1cc(F)c(c(c1)F)F)c1sc(c(c1c2c1cc(F)c(c(c1)F)F)SC)c1nccc2c1nsn2)c1cnc(c2c1nsn2)c1sc2c(c1SC)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(SC)cs1	


key: InChI
value:
  InChI=1S/C58H24F12N6S10/c1-77-31-16-81-50-33(18-9-24(61)41(68)25(62)10-18)37-51(32(36(31)50)17-7-22(59)40(67)23(60)8-17)83-58(55(37)79-3)48-46-44(74-86-76-46)21(15-72-48)49-54(78-2)38-34(19-11-26(63)42(69)27(64)12-19)53-39(35(52(38)82-49)20-13-28(65)43(70)29(66)14-20)56(80-4)57(84-53)47-45-30(5-6-71-47)73-85-75-45/h5-16H,1-4H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2c2ccccc2)n(c(c3OC)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3c3ccccc3)n(cc4OC)C)c3ccccc3)n2C)OC)C)c2ccccc2)n1C)OC	


key: CAN_SMILES
value:
  COc1c(c2cnc(c3c2nsn3)c2c(OC)c3c(n2C)c(c2ccccc2)c2c(c3c3ccccc3)n(C)cc2OC)n(c2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(n1C)c1nccc2c1nsn2)OC)C	


key: InChI
value:
  InChI=1S/C62H48N10O4S2/c1-69-32-39(73-5)44-40(33-21-13-9-14-22-33)55-45(41(54(44)69)34-23-15-10-16-24-34)61(75-7)59(71(55)3)52-50-48(66-78-68-50)37(31-64-52)53-60(74-6)46-42(35-25-17-11-18-26-35)57-47(43(56(46)70(53)2)36-27-19-12-20-28-36)62(76-8)58(72(57)4)51-49-38(29-30-63-51)65-77-67-49/h9-32H,1-8H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2c2ccccc2)n(c(c3C)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3c3ccccc3)n(cc4C)C)c3ccccc3)n2C)C)C)c2ccccc2)n1C)C	


key: CAN_SMILES
value:
  Cc1cn(c2c1c(c1ccccc1)c1n(C)c(c(c1c2c1ccccc1)C)c1ncc(c2c1nsn2)c1c(C)c2c(n1C)c(c1ccccc1)c1c(c2c2ccccc2)n(C)c(c1C)c1nccc2c1nsn2)C	


key: InChI
value:
  InChI=1S/C62H48N10S2/c1-33-32-69(5)59-43(33)47(37-21-13-9-14-22-37)60-45(48(59)38-23-15-10-16-24-38)35(3)58(72(60)8)55-53-51(66-74-68-53)41(31-64-55)56-34(2)44-49(39-25-17-11-18-26-39)62-46(50(61(44)70(56)6)40-27-19-12-20-28-40)36(4)57(71(62)7)54-52-42(29-30-63-54)65-73-67-52/h9-32H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1ccccc1)c(c(c1nccc2c1nsn2)n3C)SC)c1ccccc1)SC)c1c(c2c(c(c3c(c2c2ccccc2)n(cc3SC)C)c2ccccc2)n1C)SC	


key: CAN_SMILES
value:
  CSc1c(c2cnc(c3c2nsn3)c2c(SC)c3c(n2C)c(c2ccccc2)c2c(c3c3ccccc3)n(C)cc2SC)n(c2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(n1C)c1nccc2c1nsn2)SC)C	


key: InChI
value:
  InChI=1S/C62H48N10S6/c1-69-32-39(73-5)44-40(33-21-13-9-14-22-33)55-45(41(54(44)69)34-23-15-10-16-24-34)61(75-7)59(71(55)3)52-50-48(66-78-68-50)37(31-64-52)53-60(74-6)46-42(35-25-17-11-18-26-35)57-47(43(56(46)70(53)2)36-27-19-12-20-28-36)62(76-8)58(72(57)4)51-49-38(29-30-63-51)65-77-67-49/h9-32H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1ccccc1)c(c(c1nccc2c1nsn2)o3)C)c1ccccc1)C)c1c(c2c(c(c3c(c2c2ccccc2)occ3C)c2ccccc2)o1)C	


key: CAN_SMILES
value:
  Cc1c(oc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(o1)c1nccc2c1nsn2)C)c1cnc(c2c1nsn2)c1oc2c(c1C)c(c1ccccc1)c1c(c2c2ccccc2)c(C)co1	


key: InChI
value:
  InChI=1S/C58H36N6O4S2/c1-29-28-65-55-39(29)43(33-17-9-5-10-18-33)56-41(44(55)34-19-11-6-12-20-34)31(3)54(68-56)51-49-47(62-70-64-49)37(27-60-51)52-30(2)40-45(35-21-13-7-14-22-35)58-42(46(57(40)66-52)36-23-15-8-16-24-36)32(4)53(67-58)50-48-38(25-26-59-50)61-69-63-48/h5-28H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1ccccc1)c(c(c1nccc2c1nsn2)o3)SC)c1ccccc1)SC)c1c(c2c(c(c3c(c2c2ccccc2)occ3SC)c2ccccc2)o1)SC	


key: CAN_SMILES
value:
  CSc1c(oc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(o1)c1nccc2c1nsn2)SC)c1cnc(c2c1nsn2)c1oc2c(c1SC)c(c1ccccc1)c1c(c2c2ccccc2)c(SC)co1	


key: InChI
value:
  InChI=1S/C58H36N6O4S6/c1-69-35-28-65-50-37(30-19-11-6-12-20-30)41-51(36(40(35)50)29-17-9-5-10-18-29)67-55(57(41)71-3)48-46-44(62-74-64-46)33(27-60-48)49-56(70-2)42-38(31-21-13-7-14-22-31)53-43(39(52(42)66-49)32-23-15-8-16-24-32)58(72-4)54(68-53)47-45-34(25-26-59-47)61-73-63-45/h5-28H,1-4H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2c2ccccc2)n(c(c3F)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3c3ccccc3)n(cc4F)C)c3ccccc3)n2C)F)C)c2ccccc2)n1C)F	


key: CAN_SMILES
value:
  Fc1cn(c2c1c(c1ccccc1)c1n(C)c(c(c1c2c1ccccc1)F)c1ncc(c2c1nsn2)c1c(F)c2c(n1C)c(c1ccccc1)c1c(c2c2ccccc2)n(C)c(c1F)c1nccc2c1nsn2)C	


key: InChI
value:
  InChI=1S/C58H36F4N10S2/c1-69-28-34(59)40-36(29-17-9-5-10-18-29)54-41(37(53(40)69)30-19-11-6-12-20-30)45(61)58(71(54)3)51-49-47(66-74-68-49)33(27-64-51)52-44(60)42-38(31-21-13-7-14-22-31)56-43(39(55(42)70(52)2)32-23-15-8-16-24-32)46(62)57(72(56)4)50-48-35(25-26-63-50)65-73-67-48/h5-28H,1-4H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1cc2c(c(c3c(c2c2ccccc2)n(c(c3)c2cnc(c3c2nsn3)c2cc3c(c(c4c(c3c3ccccc3)n(cc4)C)c3ccccc3)n2C)C)c2ccccc2)n1C	


key: CAN_SMILES
value:
  Cn1c(cc2c1c(c1ccccc1)c1c(c2c2ccccc2)n(c(c1)c1nccc2c1nsn2)C)c1cnc(c2c1nsn2)c1cc2c(n1C)c(c1ccccc1)c1c(c2c2ccccc2)n(C)cc1	


key: InChI
value:
  InChI=1S/C58H40N10S2/c1-65-28-26-37-46(33-17-9-5-10-18-33)56-39(47(55(37)65)34-19-11-6-12-20-34)30-45(68(56)4)53-54-50(62-70-64-54)41(32-60-53)43-29-38-48(35-21-13-7-14-22-35)58-40(49(57(38)66(43)2)36-23-15-8-16-24-36)31-44(67(58)3)52-51-42(25-27-59-52)61-69-63-51/h5-32H,1-4H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1cc2c(c(c3c(c2c2ccccc2)oc(c3)c2cnc(c3c2nsn3)c2cc3c(c(c4c(c3c3ccccc3)occ4)c3ccccc3)o2)c2ccccc2)o1	


key: CAN_SMILES
value:
  c1ccc(cc1)c1c2cc(oc2c(c2c1oc(c2)c1nccc2c1nsn2)c1ccccc1)c1cnc(c2c1nsn2)c1cc2c(o1)c(c1ccccc1)c1c(c2c2ccccc2)occ1	


key: InChI
value:
  InChI=1S/C54H28N6O4S2/c1-5-13-29(14-6-1)42-33-22-24-61-51(33)43(30-15-7-2-8-16-30)35-26-41(64-52(35)42)49-50-46(58-66-60-50)37(28-56-49)39-25-34-44(31-17-9-3-10-18-31)54-36(45(53(34)62-39)32-19-11-4-12-20-32)27-40(63-54)48-47-38(21-23-55-48)57-65-59-47/h1-28H


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)c1ccccc1)c(c(c1nccc2c1nsn2)s3)OC)c1ccccc1)OC)c1c(c2c(c(c3c(c2c2ccccc2)scc3OC)c2ccccc2)s1)OC	


key: CAN_SMILES
value:
  COc1c(sc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(s1)c1nccc2c1nsn2)OC)c1cnc(c2c1nsn2)c1sc2c(c1OC)c(c1ccccc1)c1c(c2c2ccccc2)c(OC)cs1	


key: InChI
value:
  InChI=1S/C58H36N6O4S6/c1-65-35-28-69-53-37(30-19-11-6-12-20-30)41-50(67-3)58(71-54(41)36(40(35)53)29-17-9-5-10-18-29)48-46-44(62-74-64-46)33(27-60-48)52-49(66-2)42-38(31-21-13-7-14-22-31)56-43(39(55(42)70-52)32-23-15-8-16-24-32)51(68-4)57(72-56)47-45-34(25-26-59-47)61-73-63-45/h5-28H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(cc(s1)c1c(c(c(c3c4c(c(c5c(c(c(s5)c5cc(c(s5)c5c(ccs5)F)F)C)C)nc3)[n]s[n]4)s1)C)C)F)F)C)C)c1c(c(cs1)C)C)nsn2	


key: CAN_SMILES
value:
  Fc1cc(sc1c1sc(cc1F)c1sc(c(c1C)C)c1ncc(c2c1nsn2)c1scc(c1C)C)c1sc(c(c1C)C)c1cnc(c2c1[n]s[n]2)c1sc(c(c1C)C)c1cc(c(s1)c1sccc1F)F	


key: InChI
value:
  InChI=1S/C50H32F4N6S10/c1-17-16-62-40(18(17)2)25-14-55-38(36-34(25)57-69-59-36)45-24(8)22(6)44(68-45)33-13-30(54)50(65-33)49-29(53)12-31(64-49)42-20(4)19(3)41(66-42)26-15-56-39(37-35(26)58-70-60-37)46-23(7)21(5)43(67-46)32-11-28(52)48(63-32)47-27(51)9-10-61-47/h9-16H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nsn2)o3)C)c1cc(c(c(c1)OC)OC)OC)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)occ3C)c2cc(c(c(c2)OC)OC)OC)o1)C	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(C)c(oc2c(c2c1oc(c2C)c1nccc2c1nsn2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nsn2)c1oc2c(c1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(C)co1	


key: InChI
value:
  InChI=1S/C70H60N6O16S2/c1-29-28-89-67-47(29)51(33-19-39(77-5)63(85-13)40(20-33)78-6)68-49(52(67)34-21-41(79-7)64(86-14)42(22-34)80-8)31(3)62(92-68)59-57-55(74-94-76-57)37(27-72-59)60-30(2)48-53(35-23-43(81-9)65(87-15)44(24-35)82-10)70-50(32(4)61(91-70)58-56-38(17-18-71-58)73-93-75-56)54(69(48)90-60)36-25-45(83-11)66(88-16)46(26-36)84-12/h17-28H,1-16H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)SC)SC)n1C)C)C)c1c(c(c(n1C)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)C)C)nn(n6)C)n4C)C)C)cc3SC)c(c1)SC)C)C)nn(n2)C	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc(cc1SC)c1n(C)c(c(c1C)C)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1C)C)c1n(C)c(c(c1C)C)c1cnc(c2c1nn(n2)C)c1n(C)c(c(c1C)C)c1cc(c(s1)c1sccc1SC)SC	


key: InChI
value:
  InChI=1S/C60H62N12S8/c1-27-26-67(9)50(28(27)2)35-24-61-48(46-44(35)63-71(13)65-46)55-34(8)32(6)54(70(55)12)40-23-43(76-18)60(80-40)59-42(75-17)22-38(79-59)52-30(4)29(3)51(68(52)10)36-25-62-49(47-45(36)64-72(14)66-47)56-33(7)31(5)53(69(56)11)39-21-41(74-16)58(78-39)57-37(73-15)19-20-77-57/h19-26H,1-18H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cco3)F)o1)F)C)C)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)C)C)[n]s[n]6)s4)C)C)o3)F)o1)F)C)C)[n]s[n]2	


key: CAN_SMILES
value:
  Fc1cc(oc1c1oc(cc1F)c1sc(c(c1C)C)c1ncc(c2c1[n]s[n]2)c1scc(c1C)C)c1sc(c(c1C)C)c1cnc(c2c1[n]s[n]2)c1sc(c(c1C)C)c1cc(c(o1)c1occc1F)F	


key: InChI
value:
  InChI=1S/C50H32F4N6O4S6/c1-17-16-65-44(18(17)2)25-14-55-38(36-34(25)57-69-59-36)49-24(8)22(6)48(68-49)33-13-30(54)43(64-33)42-29(53)12-31(63-42)46-20(4)19(3)45(66-46)26-15-56-39(37-35(26)58-70-60-37)50-23(7)21(5)47(67-50)32-11-28(52)41(62-32)40-27(51)9-10-61-40/h9-16H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1cc2c(c3c(c(c2s1)c1cc(c(c(c1)OC)OC)OC)cc(c1nccc2c1nsn2)s3)c1cc(c(c(c1)OC)OC)OC)c1cc2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)scc3)c2cc(c(c(c2)OC)OC)OC)s1	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2cc(sc2c(c2c1sc(c2)c1nccc2c1nsn2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nsn2)c1cc2c(s1)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)scc1	


key: InChI
value:
  InChI=1S/C66H52N6O12S6/c1-73-39-17-29(18-40(74-2)59(39)81-9)50-33-14-16-85-63(33)51(30-19-41(75-3)60(82-10)42(20-30)76-4)35-26-49(88-64(35)50)57-58-54(70-90-72-58)37(28-68-57)47-25-34-52(31-21-43(77-5)61(83-11)44(22-31)78-6)66-36(27-48(87-66)56-55-38(13-15-67-56)69-89-71-55)53(65(34)86-47)32-23-45(79-7)62(84-12)46(24-32)80-8/h13-28H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)C)C)n1C)C)C)c1c(c(c(n1C)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)C)C)nn(n6)C)n4C)C)C)cc3C)c(c1)C)C)C)nn(n2)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c(c(c1C)C)c1cc(c(s1)c1sc(cc1C)c1n(C)c(c(c1C)C)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1C)C)C)c1n(C)c(c(c1C)C)c1cc(c(s1)c1sccc1C)C	


key: InChI
value:
  InChI=1S/C60H62N12S4/c1-27-19-20-73-57(27)58-28(2)21-42(74-58)53-35(9)37(11)56(69(53)15)49-47-45(64-72(18)66-47)40(25-62-49)51-33(7)34(8)52(68(51)14)41-22-29(3)59(75-41)60-30(4)23-43(76-60)54-36(10)38(12)55(70(54)16)48-46-44(63-71(17)65-46)39(24-61-48)50-32(6)31(5)26-67(50)13/h19-26H,1-18H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(s3)c3c(cc(s3)c3ccc(c4c5c(c(c6ccc(c7cc(c(s7)c7c(ccs7)OC)OC)o6)nc4)non5)o3)OC)OC)o1)c1ccco1)[N]O[N]2	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1OC)c1ccc(o1)c1ncc(c2c1[N]O[N]2)c1ccco1)c1ccc(o1)c1cnc(c2c1non2)c1ccc(o1)c1sc(c(c1)OC)c1sccc1OC	


key: InChI
value:
  InChI=1S/C46H28N6O10S4/c1-53-30-13-15-63-43(30)44-31(54-2)16-35(64-44)26-9-11-29(59-26)40-42-38(50-62-52-42)22(20-48-40)24-7-8-25(58-24)34-17-32(55-3)45(65-34)46-33(56-4)18-36(66-46)27-10-12-28(60-27)39-41-37(49-61-51-41)21(19-47-39)23-6-5-14-57-23/h5-20H,1-4H3


key: InChI
value:
  InChI=1S/C26H12Ge2N6S2Se4/c1-3-29-20(19-14(1)31-35-33-19)16-7-13-26(40-16)25-11(28-13)5-15(38-25)9-8-30-21(22-18(9)32-36-34-22)17-6-12-24(39-17)23-10(27-12)2-4-37-23/h1-8H,27-28H2


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(cc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7cc(c(s7)c7c(ccs7)F)F)o6)F)F)nc4)non5)o3)F)F)F)F)o1)F)F)c1c(c(co1)F)F)[N]O[N]2	


key: CAN_SMILES
value:
  Fc1c(oc(c1F)c1cnc(c2c1non2)c1oc(c(c1F)F)c1cc(c(s1)c1sccc1F)F)c1cc(c(s1)c1sc(cc1F)c1oc(c(c1F)F)c1ncc(c2c1[N]O[N]2)c1occ(c1F)F)F	


key: InChI
value:
  InChI=1S/C42H8F12N6O6S4/c43-11-1-2-67-39(11)40-12(44)3-17(68-40)35-22(51)24(53)38(63-35)31-29-27(58-66-60-29)10(7-56-31)33-20(49)21(50)34(62-33)16-4-13(45)41(69-16)42-14(46)5-18(70-42)36-23(52)25(54)37(64-36)30-28-26(57-65-59-28)9(6-55-30)32-19(48)15(47)8-61-32/h1-8H


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3ccc(c4ccc(n4C)c4ccc(c5c6c(c(c7ccc(c8ccc(c9cccn9C)n8C)o7)nc5)[N]O[N]6)o4)n3C)o1)c1ccco1)non2	


key: CAN_SMILES
value:
  Cn1c(ccc1c1ccc(n1C)c1ccc(o1)c1ncc(c2c1non2)c1ccco1)c1ccc(o1)c1cnc(c2c1[N]O[N]2)c1ccc(o1)c1ccc(n1C)c1cccn1C	


key: InChI
value:
  InChI=1S/C46H32N10O6/c1-53-21-5-7-27(53)28-9-12-32(54(28)2)37-17-19-40(59-37)44-46-42(50-62-52-46)26(24-48-44)35-15-16-36(58-35)31-13-10-29(55(31)3)30-11-14-33(56(30)4)38-18-20-39(60-38)43-45-41(49-61-51-45)25(23-47-43)34-8-6-22-57-34/h5-24H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(c4ccco4)o3)n1C)C)C)c1c(c(c(n1C)c1ccc(c3ccc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)C)C)nn(n6)C)n4C)C)C)o3)o1)C)C)nn(n2)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c(c(c1C)C)c1ccc(o1)c1ccc(o1)c1n(C)c(c(c1C)C)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1C)C)c1n(C)c(c(c1C)C)c1ccc(o1)c1ccco1	


key: InChI
value:
  InChI=1S/C56H54N12O4/c1-27-26-63(9)50(28(27)2)35-24-57-48(46-44(35)59-67(13)61-46)55-34(8)32(6)54(66(55)12)43-22-19-40(72-43)39-18-21-41(71-39)52-30(4)29(3)51(64(52)10)36-25-58-49(47-45(36)60-68(14)62-47)56-33(7)31(5)53(65(56)11)42-20-17-38(70-42)37-16-15-23-69-37/h15-26H,1-14H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)OC)OC)n1C)C)C)c1c(c(c(n1C)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)C)C)nn(n6)C)n4C)C)C)cc3OC)c(c1)OC)C)C)nn(n2)C	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1OC)c1n(C)c(c(c1C)C)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1C)C)c1n(C)c(c(c1C)C)c1cnc(c2c1nn(n2)C)c1n(C)c(c(c1C)C)c1cc(c(s1)c1sccc1OC)OC	


key: InChI
value:
  InChI=1S/C60H62N12O4S4/c1-27-26-67(9)50(28(27)2)35-24-61-48(46-44(35)63-71(13)65-46)55-34(8)32(6)54(70(55)12)43-23-40(76-18)60(80-43)59-39(75-17)22-41(79-59)52-30(4)29(3)51(68(52)10)36-25-62-49(47-45(36)64-72(14)66-47)56-33(7)31(5)53(69(56)11)42-21-38(74-16)58(78-42)57-37(73-15)19-20-77-57/h19-26H,1-18H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(cc(s1)c1c(c(c(c3c4c(c(c5c(c(c(s5)c5cc(c(s5)c5c(ccs5)OC)OC)C)C)nc3)[n]s[n]4)s1)C)C)OC)OC)C)C)c1c(c(cs1)C)C)nsn2	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1OC)c1sc(c(c1C)C)c1ncc(c2c1nsn2)c1scc(c1C)C)c1sc(c(c1C)C)c1cnc(c2c1[n]s[n]2)c1sc(c(c1C)C)c1cc(c(s1)c1sccc1OC)OC	


key: InChI
value:
  InChI=1S/C54H44N6O4S10/c1-21-20-66-44(22(21)2)29-18-55-42(40-38(29)57-73-59-40)49-28(8)26(6)48(72-49)37-17-34(64-12)54(69-37)53-33(63-11)16-35(68-53)46-24(4)23(3)45(70-46)30-19-56-43(41-39(30)58-74-60-41)50-27(7)25(5)47(71-50)36-15-32(62-10)52(67-36)51-31(61-9)13-14-65-51/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1ccc(c3cccn3C)n1C)C)C)c1c(c(c(s1)c1ccc(c3ccc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)C)C)nsn6)s4)C)C)n3C)n1C)C)C)[n]s[n]2	


key: CAN_SMILES
value:
  Cn1c(ccc1c1ccc(n1C)c1sc(c(c1C)C)c1ncc(c2c1nsn2)c1scc(c1C)C)c1sc(c(c1C)C)c1cnc(c2c1[n]s[n]2)c1sc(c(c1C)C)c1ccc(n1C)c1cccn1C	


key: InChI
value:
  InChI=1S/C54H48N10S6/c1-25-24-65-48(26(25)2)33-22-55-46(44-42(33)57-69-59-44)53-32(8)30(6)52(68-53)41-20-17-38(64(41)12)37-16-19-39(63(37)11)50-28(4)27(3)49(66-50)34-23-56-47(45-43(34)58-70-60-45)54-31(7)29(5)51(67-54)40-18-15-36(62(40)10)35-14-13-21-61(35)9/h13-24H,1-12H3


key: InChI
value:
  InChI=1S/C34H16F4N6O8S2/c1-45-25-12-10(35)8-49-29(12)26(46-2)14-17(37)34(51-30(14)25)23-21-19(42-54-44-21)9(7-40-23)24-16(36)13-27(47-3)32-15(28(48-4)31(13)50-24)18(38)33(52-32)22-20-11(5-6-39-22)41-53-43-20/h5-8H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)OC)c(c(c1nccc2c1nsn2)s3)OC)OC)OC)c1c(c2c(c(c3c(c2OC)scc3OC)OC)s1)OC	


key: CAN_SMILES
value:
  COc1c(sc2c1c(OC)c1c(c2OC)c(c(s1)c1nccc2c1nsn2)OC)c1cnc(c2c1nsn2)c1sc2c(c1OC)c(OC)c1c(c2OC)c(OC)cs1	


key: InChI
value:
  InChI=1S/C38H28N6O8S6/c1-45-15-12-53-33-16(15)25(46-2)34-18(27(33)48-4)30(51-7)38(55-34)24-22-20(42-58-44-22)13(11-40-24)32-26(47-3)17-28(49-5)36-19(29(50-6)35(17)54-32)31(52-8)37(56-36)23-21-14(9-10-39-23)41-57-43-21/h9-12H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)OC)c(c(c1nccc2c1nsn2)n3C)F)OC)F)c1c(c2c(c(c3c(c2OC)n(cc3F)C)OC)n1C)F	


key: CAN_SMILES
value:
  COc1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1nsn2)OC)C)c1cnc(c2c1nsn2)c1c(F)c2c(n1C)c(OC)c1c(c2OC)n(C)cc1F	


key: InChI
value:
  InChI=1S/C38H28F4N10O4S2/c1-49-12-14(39)16-29(49)36(54-6)18-21(41)34(51(3)30(18)35(16)53-5)27-25-23(46-58-48-25)13(11-44-27)28-20(40)17-31(50(28)2)38(56-8)19-22(42)33(52(4)32(19)37(17)55-7)26-24-15(9-10-43-26)45-57-47-24/h9-12H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)OC)c(c(c1nccc2c1nsn2)s3)SC)OC)SC)c1c(c2c(c(c3c(c2OC)scc3SC)OC)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(OC)c1c(c2OC)c(c(s1)c1nccc2c1nsn2)SC)c1cnc(c2c1nsn2)c1sc2c(c1SC)c(OC)c1c(c2OC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C38H28N6O4S10/c1-45-25-16-15(49-5)12-53-30(16)26(46-2)17-31(25)55-38(35(17)51-7)24-22-20(42-58-44-22)13(11-40-24)29-34(50-6)18-27(47-3)33-19(28(48-4)32(18)54-29)36(52-8)37(56-33)23-21-14(9-10-39-23)41-57-43-21/h9-12H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)OC)c(c(c1nccc2c1nsn2)s3)F)OC)F)c1c(c2c(c(c3c(c2OC)scc3F)OC)s1)F	


key: InChI
value:
  InChI=1S/C34H16F4N6O4S6/c1-45-24-12-10(35)8-49-29(12)25(46-2)14-17(37)34(51-30(14)24)23-21-19(42-54-44-21)9(7-40-23)28-16(36)13-26(47-3)32-15(27(48-4)31(13)50-28)18(38)33(52-32)22-20-11(5-6-39-22)41-53-43-20/h5-8H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)SC)c(c(c1nccc2c1nsn2)n3C)F)SC)F)c1c(c2c(c(c3c(c2SC)n(cc3F)C)SC)n1C)F	


key: CAN_SMILES
value:
  CSc1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1nsn2)SC)C)c1cnc(c2c1nsn2)c1c(F)c2c(n1C)c(SC)c1c(c2SC)n(C)cc1F	


key: InChI
value:
  InChI=1S/C38H28F4N10S6/c1-49-12-14(39)16-29(49)36(54-6)18-21(41)34(51(3)30(18)35(16)53-5)27-25-23(46-58-48-25)13(11-44-27)28-20(40)17-31(50(28)2)38(56-8)19-22(42)33(52(4)32(19)37(17)55-7)26-24-15(9-10-43-26)45-57-47-24/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C38H28N6S10/c1-13-12-49-35-19(13)31(45-5)36-21(32(35)46-6)15(3)30(52-36)27-25-23(42-54-44-25)17(11-40-27)28-14(2)20-33(47-7)38-22(34(48-8)37(20)50-28)16(4)29(51-38)26-24-18(9-10-39-26)41-53-43-24/h9-12H,1-8H3


key: InChI
value:
  InChI=1S/C34H16F4N6O4S6/c1-49-31-12-10(35)8-45-25(12)32(50-2)14-17(37)30(47-26(14)31)23-21-19(42-54-44-21)9(7-40-23)24-16(36)13-27(46-24)34(52-4)15-18(38)29(48-28(15)33(13)51-3)22-20-11(5-6-39-22)41-53-43-20/h5-8H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)SC)c(c(c1nccc2c1nsn2)s3)F)SC)F)c1c(c2c(c(c3c(c2SC)scc3F)SC)s1)F	


key: InChI
value:
  InChI=1S/C34H16F4N6S10/c1-45-25-12-10(35)8-49-29(12)26(46-2)14-17(37)34(51-30(14)25)23-21-19(42-54-44-21)9(7-40-23)24-16(36)13-27(47-3)32-15(28(48-4)31(13)50-24)18(38)33(52-32)22-20-11(5-6-39-22)41-53-43-20/h5-8H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1nsn2)o3)C)c1cc(c(c(c1)C)C)C)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3C)c2cc(c(c(c2)C)C)C)o1)C	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2c(C)c(oc2c(c2c1oc(c2C)c1nccc2c1nsn2)c1cc(C)c(c(c1)C)C)c1cnc(c2c1nsn2)c1oc2c(c1C)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(C)co1	


key: InChI
value:
  InChI=1S/C70H60N6O4S2/c1-29-19-45(20-30(2)38(29)10)55-51-37(9)28-77-67(51)56(46-21-31(3)39(11)32(4)22-46)53-43(15)66(80-68(53)55)63-61-59(74-82-76-61)49(27-72-63)64-42(14)52-57(47-23-33(5)40(12)34(6)24-47)70-54(58(69(52)78-64)48-25-35(7)41(13)36(8)26-48)44(16)65(79-70)62-60-50(17-18-71-62)73-81-75-60/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1nsn2)n3C)F)c1cc(c(c(c1)C)C)C)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)n(cc3F)C)c2cc(c(c(c2)C)C)C)n1C)F	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1nsn2)c1cc(C)c(c(c1)C)C)C)c1cnc(c2c1nsn2)c1n(C)c2c(c1F)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(F)cn1C	


key: InChI
value:
  InChI=1S/C70H60F4N10S2/c1-29-19-41(20-30(2)37(29)9)48-52-46(71)28-81(13)65(52)49(42-21-31(3)38(10)32(4)22-42)53-57(73)70(83(15)66(48)53)63-61-59(78-86-80-61)45(27-76-63)64-56(72)54-50(43-23-33(5)39(11)34(6)24-43)68-55(51(67(54)82(64)14)44-25-35(7)40(12)36(8)26-44)58(74)69(84(68)16)62-60-47(17-18-75-62)77-85-79-60/h17-28H,1-16H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)sc(c3F)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3c3cc(c(c(c3)C)C)C)scc4F)c3cc(c(c(c3)C)C)C)s2)F)c2cc(c(c(c2)C)C)C)s1)F	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2c(F)c(sc2c(c2c1sc(c2F)c1nccc2c1nsn2)c1cc(C)c(c(c1)C)C)c1cnc(c2c1nsn2)c1sc2c(c1F)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(F)cs1	


key: InChI
value:
  InChI=1S/C66H48F4N6S6/c1-25-15-37(16-26(2)33(25)9)44-48-42(67)24-77-61(48)45(38-17-27(3)34(10)28(4)18-38)49-53(69)66(79-62(44)49)59-57-55(74-82-76-57)41(23-72-59)60-52(68)50-46(39-19-29(5)35(11)30(6)20-39)64-51(47(63(50)78-60)40-21-31(7)36(12)32(8)22-40)54(70)65(80-64)58-56-43(13-14-71-58)73-81-75-56/h13-24H,1-12H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)sc(c3C)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3c3cc(c(c(c3)C)C)C)scc4C)c3cc(c(c(c3)C)C)C)s2)C)c2cc(c(c(c2)C)C)C)s1)C	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2c(C)c(sc2c(c2c1sc(c2C)c1nccc2c1nsn2)c1cc(C)c(c(c1)C)C)c1cnc(c2c1nsn2)c1sc2c(c1C)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(C)cs1	


key: InChI
value:
  InChI=1S/C70H60N6S6/c1-29-19-45(20-30(2)38(29)10)55-51-37(9)28-77-67(51)56(46-21-31(3)39(11)32(4)22-46)53-43(15)66(80-68(53)55)63-61-59(74-82-76-61)49(27-72-63)64-42(14)52-57(47-23-33(5)40(12)34(6)24-47)70-54(58(69(52)78-64)48-25-35(7)41(13)36(8)26-48)44(16)65(79-70)62-60-50(17-18-71-62)73-81-75-60/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)SC)c(c(c1nccc2c1nsn2)s3)SC)SC)SC)c1c(c2c(c(c3c(c2SC)scc3SC)SC)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(SC)c1c(c2SC)c(c(s1)c1nccc2c1nsn2)SC)c1cnc(c2c1nsn2)c1sc2c(c1SC)c(SC)c1c(c2SC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C38H28N6S14/c1-45-15-12-53-33-16(15)26(46-2)34-18(28(33)48-4)31(51-7)38(55-34)24-22-20(42-58-44-22)13(11-40-24)25-27(47-3)17-29(49-5)36-19(30(50-6)35(17)54-25)32(52-8)37(56-36)23-21-14(9-10-39-23)41-57-43-21/h9-12H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)SC)c(c(c1nccc2c1nsn2)s3)OC)SC)OC)c1c(c2c(c(c3c(c2SC)scc3OC)SC)s1)OC	


key: CAN_SMILES
value:
  COc1c(sc2c1c(SC)c1c(c2SC)c(c(s1)c1nccc2c1nsn2)OC)c1cnc(c2c1nsn2)c1sc2c(c1OC)c(SC)c1c(c2SC)c(OC)cs1	


key: InChI
value:
  InChI=1S/C38H28N6O4S10/c1-45-15-12-53-33-16(15)29(49-5)34-18(30(33)50-6)26(47-3)38(55-34)24-22-20(42-58-44-22)13(11-40-24)28-25(46-2)17-31(51-7)36-19(32(52-8)35(17)54-28)27(48-4)37(56-36)23-21-14(9-10-39-23)41-57-43-21/h9-12H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1nsn2)o3)F)c1cc(c(c(c1)C)C)C)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3F)c2cc(c(c(c2)C)C)C)o1)F	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2c(F)c(oc2c(c2c1oc(c2F)c1nccc2c1nsn2)c1cc(C)c(c(c1)C)C)c1cnc(c2c1nsn2)c1oc2c(c1F)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(F)co1	


key: InChI
value:
  InChI=1S/C66H48F4N6O4S2/c1-25-15-37(16-26(2)33(25)9)44-48-42(67)24-77-61(48)45(38-17-27(3)34(10)28(4)18-38)49-53(69)66(79-62(44)49)59-57-55(74-82-76-57)41(23-72-59)60-52(68)50-46(39-19-29(5)35(11)30(6)20-39)64-51(47(63(50)78-60)40-21-31(7)36(12)32(8)22-40)54(70)65(80-64)58-56-43(13-14-71-58)73-81-75-56/h13-24H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1cc2c(c3c(c(c2n1C)c1cc(c(c(c1)C)C)C)cc(c1nccc2c1nsn2)n3C)c1cc(c(c(c1)C)C)C)c1cc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)n(cc3)C)c2cc(c(c(c2)C)C)C)n1C	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2c(cc(n2C)c2nccc3c2nsn3)c(c2c1cc(n2C)c1cnc(c2c1nsn2)c1cc2c(n1C)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)n(C)cc1)c1cc(C)c(c(c1)C)C	


key: InChI
value:
  InChI=1S/C70H64N10S2/c1-33-21-45(22-34(2)41(33)9)58-49-18-20-77(13)67(49)59(46-23-35(3)42(10)36(4)24-46)51-30-57(80(16)68(51)58)65-66-62(74-82-76-66)53(32-72-65)55-29-50-60(47-25-37(5)43(11)38(6)26-47)70-52(31-56(79(70)15)64-63-54(17-19-71-64)73-81-75-63)61(69(50)78(55)14)48-27-39(7)44(12)40(8)28-48/h17-32H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1cc2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)cc(c1nccc2c1nsn2)o3)c1cc(c(c(c1)C)C)C)c1cc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3)c2cc(c(c(c2)C)C)C)o1	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2cc(oc2c(c2c1oc(c2)c1nccc2c1nsn2)c1cc(C)c(c(c1)C)C)c1cnc(c2c1nsn2)c1oc2c(c1)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)cco1	


key: InChI
value:
  InChI=1S/C66H52N6O4S2/c1-29-17-41(18-30(2)37(29)9)54-45-14-16-73-63(45)55(42-19-31(3)38(10)32(4)20-42)47-26-53(76-64(47)54)61-62-58(70-78-72-62)49(28-68-61)51-25-46-56(43-21-33(5)39(11)34(6)22-43)66-48(27-52(75-66)60-59-50(13-15-67-60)69-77-71-59)57(65(46)74-51)44-23-35(7)40(12)36(8)24-44/h13-28H,1-12H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1cc2c(c(c3c(c2c2cc(c(c(c2)C)C)C)sc(c3)c2cnc(c3c2nsn3)c2cc3c(c(c4c(c3c3cc(c(c(c3)C)C)C)scc4)c3cc(c(c(c3)C)C)C)s2)c2cc(c(c(c2)C)C)C)s1	


key: CAN_SMILES
value:
  Cc1c(C)cc(cc1C)c1c2cc(sc2c(c2c1sc(c2)c1nccc2c1nsn2)c1cc(C)c(c(c1)C)C)c1cnc(c2c1nsn2)c1sc2c(c1)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)ccs1	


key: InChI
value:
  InChI=1S/C66H52N6S6/c1-29-17-41(18-30(2)37(29)9)54-45-14-16-73-63(45)55(42-19-31(3)38(10)32(4)20-42)47-26-53(76-64(47)54)61-62-58(70-78-72-62)49(28-68-61)51-25-46-56(43-21-33(5)39(11)34(6)22-43)66-48(27-52(75-66)60-59-50(13-15-67-60)69-77-71-59)57(65(46)74-51)44-23-35(7)40(12)36(8)24-44/h13-28H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1nsn2)n3C)OC)c1cc(c(c(c1)C)C)C)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)n(cc3OC)C)c2cc(c(c(c2)C)C)C)n1C)OC	


key: CAN_SMILES
value:
  COc1cn(c2c1c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(c(n1C)c1ncc(c2c1nsn2)c1n(C)c2c(c1OC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(OC)c(n1C)c1nccc2c1nsn2)OC)C	


key: InChI
value:
  InChI=1S/C74H72N10O4S2/c1-33-23-45(24-34(2)41(33)9)52-56-51(85-17)32-81(13)66(56)53(46-25-35(3)42(10)36(4)26-46)57-67(52)83(15)71(73(57)87-19)64-62-60(78-90-80-62)49(31-76-64)65-72(86-18)58-54(47-27-37(5)43(11)38(6)28-47)69-59(55(68(58)82(65)14)48-29-39(7)44(12)40(8)30-48)74(88-20)70(84(69)16)63-61-50(21-22-75-63)77-89-79-61/h21-32H,1-20H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)C)C)C)c(c(c1nccc2c1nsn2)o3)SC)c1cc(c(c(c1)C)C)C)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)C)C)C)occ3SC)c2cc(c(c(c2)C)C)C)o1)SC	


key: CAN_SMILES
value:
  CSc1c(oc2c1c(c1cc(C)c(c(c1)C)C)c1oc(c(c1c2c1cc(C)c(c(c1)C)C)SC)c1nccc2c1nsn2)c1cnc(c2c1nsn2)c1oc2c(c1SC)c(c1cc(C)c(c(c1)C)C)c1c(c2c2cc(C)c(c(c2)C)C)c(SC)co1	


key: InChI
value:
  InChI=1S/C70H60N6O4S6/c1-29-19-41(20-30(2)37(29)9)48-52-47(81-13)28-77-62(52)49(42-21-31(3)38(10)32(4)22-42)53-63(48)79-67(69(53)83-15)60-58-56(74-86-76-58)45(27-72-60)61-68(82-14)54-50(43-23-33(5)39(11)34(6)24-43)65-55(51(64(54)78-61)44-25-35(7)40(12)36(8)26-44)70(84-16)66(80-65)59-57-46(17-18-71-59)73-85-75-57/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)F)F)F)c(c(c1nccc2c1nsn2)n3C)C)c1cc(c(c(c1)F)F)F)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)F)F)F)n(cc3C)C)c2cc(c(c(c2)F)F)F)n1C)C	


key: CAN_SMILES
value:
  Fc1c(F)cc(cc1F)c1c2c(C)c(n(c2c(c2c1n(C)c(c2C)c1nccc2c1nsn2)c1cc(F)c(c(c1)F)F)C)c1cnc(c2c1nsn2)c1n(C)c2c(c1C)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)c(C)cn1C	


key: InChI
value:
  InChI=1S/C62H36F12N10S2/c1-21-20-81(5)59-39(21)43(25-11-30(63)47(71)31(64)12-25)60-41(44(59)26-13-32(65)48(72)33(66)14-26)23(3)58(84(60)8)55-53-51(78-86-80-53)29(19-76-55)56-22(2)40-45(27-15-34(67)49(73)35(68)16-27)62-42(46(61(40)82(56)6)28-17-36(69)50(74)37(70)18-28)24(4)57(83(62)7)54-52-38(9-10-75-54)77-85-79-52/h9-20H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1ccc(s1)c1cccs1)C)C)c1c(c(c(s1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)C)C)nsn6)s4)C)C)cc3)cc1)C)C)[n]s[n]2	


key: CAN_SMILES
value:
  Cc1c(sc(c1C)c1cnc(c2c1[n]s[n]2)c1sc(c(c1C)C)c1ccc(s1)c1cccs1)c1ccc(s1)c1ccc(s1)c1sc(c(c1C)C)c1ncc(c2c1nsn2)c1scc(c1C)C	


key: InChI
value:
  InChI=1S/C50H36N6S10/c1-21-20-58-44(22(21)2)29-18-51-42(40-38(29)53-65-55-40)49-28(8)26(6)48(64-49)37-16-13-34(61-37)33-12-15-35(60-33)46-24(4)23(3)45(62-46)30-19-52-43(41-39(30)54-66-56-41)50-27(7)25(5)47(63-50)36-14-11-32(59-36)31-10-9-17-57-31/h9-20H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1cc2c(c3c(c(c2n1C)c1cc(c(c(c1)F)F)F)cc(c1nccc2c1nsn2)n3C)c1cc(c(c(c1)F)F)F)c1cc2c(c(c3c(c2c2cc(c(c(c2)F)F)F)n(cc3)C)c2cc(c(c(c2)F)F)F)n1C	


key: CAN_SMILES
value:
  Fc1c(F)cc(cc1F)c1c2c(cc(n2C)c2nccc3c2nsn3)c(c2c1cc(n2C)c1cnc(c2c1nsn2)c1cc2c(n1C)c(c1cc(F)c(c(c1)F)F)c1c(c2c2cc(F)c(c(c2)F)F)n(C)cc1)c1cc(F)c(c(c1)F)F	


key: InChI
value:
  InChI=1S/C58H28F12N10S2/c1-77-8-6-25-42(21-9-30(59)46(67)31(60)10-21)56-27(43(55(25)77)22-11-32(61)47(68)33(62)12-22)18-41(80(56)4)53-54-50(74-82-76-54)29(20-72-53)39-17-26-44(23-13-34(63)48(69)35(64)14-23)58-28(19-40(79(58)3)52-51-38(5-7-71-52)73-81-75-51)45(57(26)78(39)2)24-15-36(65)49(70)37(66)16-24/h5-20H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1ccc(c3ccc(o3)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6ccc(c7ccco7)o6)C)C)nc4)nsn5)s3)C)C)o1)C)C)c1c(c(cs1)C)C)[n]s[n]2	


key: CAN_SMILES
value:
  Cc1c(sc(c1C)c1cnc(c2c1nsn2)c1sc(c(c1C)C)c1ccc(o1)c1ccco1)c1ccc(o1)c1ccc(o1)c1sc(c(c1C)C)c1ncc(c2c1[n]s[n]2)c1scc(c1C)C	


key: InChI
value:
  InChI=1S/C50H36N6O4S6/c1-21-20-61-44(22(21)2)29-18-51-42(40-38(29)53-65-55-40)49-28(8)26(6)48(64-49)37-16-13-34(60-37)33-12-15-35(59-33)46-24(4)23(3)45(62-46)30-19-52-43(41-39(30)54-66-56-41)50-27(7)25(5)47(63-50)36-14-11-32(58-36)31-10-9-17-57-31/h9-20H,1-8H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)c1ccccc1)c(c(c1nccc2c1nsn2)s3)SC)c1ccccc1)SC)c1c(c2c(c(c3c(c2c2ccccc2)scc3SC)c2ccccc2)s1)SC	


key: CAN_SMILES
value:
  CSc1c(sc2c1c(c1ccccc1)c1c(c2c2ccccc2)c(c(s1)c1nccc2c1nsn2)SC)c1cnc(c2c1nsn2)c1sc2c(c1SC)c(c1ccccc1)c1c(c2c2ccccc2)c(SC)cs1	


key: InChI
value:
  InChI=1S/C58H36N6S10/c1-65-35-28-69-50-37(30-19-11-6-12-20-30)41-51(36(40(35)50)29-17-9-5-10-18-29)71-58(55(41)67-3)48-46-44(62-74-64-46)33(27-60-48)49-54(66-2)42-38(31-21-13-7-14-22-31)53-43(39(52(42)70-49)32-23-15-8-16-24-32)56(68-4)57(72-53)47-45-34(25-26-59-47)61-73-63-45/h5-28H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nsn2)n3C)C)c1cc(c(c(c1)OC)OC)OC)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)n(cc3C)C)c2cc(c(c(c2)OC)OC)OC)n1C)C	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(C)c(n(c2c(c2c1n(C)c(c2C)c1nccc2c1nsn2)c1cc(OC)c(c(c1)OC)OC)C)c1cnc(c2c1nsn2)c1c(C)c2c(n1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)n(C)cc1C	


key: InChI
value:
  InChI=1S/C74H72N10O12S2/c1-33-32-81(5)67-51(33)55(37-23-43(85-9)71(93-17)44(24-37)86-10)68-53(56(67)38-25-45(87-11)72(94-18)46(26-38)88-12)35(3)66(84(68)8)63-61-59(78-98-80-61)41(31-76-63)64-34(2)52-57(39-27-47(89-13)73(95-19)48(28-39)90-14)70-54(36(4)65(83(70)7)62-60-42(21-22-75-62)77-97-79-60)58(69(52)82(64)6)40-29-49(91-15)74(96-20)50(30-40)92-16/h21-32H,1-20H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(s3)c3c(ccs3)F)F)o1)c1ccc(o1)c1sc(c3sc(c4ccc(c5c6c(c(cn5)c5ccco5)non6)o4)cc3F)c(c1)F)[N]O[N]2	


key: CAN_SMILES
value:
  Fc1cc(sc1c1sc(cc1F)c1ccc(o1)c1ncc(c2c1non2)c1ccco1)c1ccc(o1)c1cnc(c2c1[N]O[N]2)c1ccc(o1)c1cc(c(s1)c1sccc1F)F	


key: InChI
value:
  InChI=1S/C42H16F4N6O6S4/c43-19-9-11-59-39(19)40-20(44)12-31(60-40)26-5-7-29(55-26)36-38-34(50-58-52-38)18(16-48-36)24-3-4-25(54-24)30-13-21(45)41(61-30)42-22(46)14-32(62-42)27-6-8-28(56-27)35-37-33(49-57-51-37)17(15-47-35)23-2-1-10-53-23/h1-16H


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)C)C)o1)C)C)c1c(c(c(o1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(co5)C)C)[N]O[N]6)o4)C)C)cc3C)c(c1)C)C)C)non2	


key: CAN_SMILES
value:
  Cc1c(oc(c1C)c1cnc(c2c1non2)c1oc(c(c1C)C)c1cc(c(s1)c1sccc1C)C)c1cc(c(s1)c1sc(cc1C)c1oc(c(c1C)C)c1ncc(c2c1[N]O[N]2)c1occ(c1C)C)C	


key: InChI
value:
  InChI=1S/C54H44N6O6S4/c1-21-13-14-67-51(21)52-22(2)15-36(68-52)47-29(9)31(11)50(63-47)43-41-39(58-66-60-41)34(19-56-43)45-27(7)28(8)46(62-45)35-16-23(3)53(69-35)54-24(4)17-37(70-54)48-30(10)32(12)49(64-48)42-40-38(57-65-59-40)33(18-55-42)44-26(6)25(5)20-61-44/h13-20H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1cc2c(c3c(c(c2n1C)c1cc(c(c(c1)OC)OC)OC)cc(c1nccc2c1nsn2)n3C)c1cc(c(c(c1)OC)OC)OC)c1cc2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)n(cc3)C)c2cc(c(c(c2)OC)OC)OC)n1C	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2cc(n(c2c(c2c1n(C)c(c2)c1nccc2c1nsn2)c1cc(OC)c(c(c1)OC)OC)C)c1cnc(c2c1nsn2)c1cc2c(n1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)n(C)cc1	


key: InChI
value:
  InChI=1S/C70H64N10O12S2/c1-77-20-18-37-54(33-21-46(81-5)67(89-13)47(22-33)82-6)64-39(55(63(37)77)34-23-48(83-7)68(90-14)49(24-34)84-8)30-45(80(64)4)61-62-58(74-94-76-62)41(32-72-61)43-29-38-56(35-25-50(85-9)69(91-15)51(26-35)86-10)66-40(31-44(79(66)3)60-59-42(17-19-71-60)73-93-75-59)57(65(38)78(43)2)36-27-52(87-11)70(92-16)53(28-36)88-12/h17-32H,1-16H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)sc(c3C)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3c3cc(c(c(c3)OC)OC)OC)scc4C)c3cc(c(c(c3)OC)OC)OC)s2)C)c2cc(c(c(c2)OC)OC)OC)s1)C	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(C)c(sc2c(c2c1sc(c2C)c1nccc2c1nsn2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nsn2)c1sc2c(c1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(C)cs1	


key: InChI
value:
  InChI=1S/C70H60N6O12S6/c1-29-28-89-67-47(29)51(33-19-39(77-5)60(85-13)40(20-33)78-6)68-49(52(67)34-21-41(79-7)61(86-14)42(22-34)80-8)31(3)66(92-68)59-57-55(74-94-76-57)37(27-72-59)64-30(2)48-53(35-23-43(81-9)62(87-15)44(24-35)82-10)70-50(32(4)65(91-70)58-56-38(17-18-71-58)73-93-75-56)54(69(48)90-64)36-25-45(83-11)63(88-16)46(26-36)84-12/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1cc2c(c3c(c(c2o1)c1cc(c(c(c1)OC)OC)OC)cc(c1nccc2c1nsn2)o3)c1cc(c(c(c1)OC)OC)OC)c1cc2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)occ3)c2cc(c(c(c2)OC)OC)OC)o1	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2cc(oc2c(c2c1oc(c2)c1nccc2c1nsn2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nsn2)c1cc2c(o1)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)occ1	


key: InChI
value:
  InChI=1S/C66H52N6O16S2/c1-73-42-17-29(18-43(74-2)63(42)81-9)50-33-14-16-85-59(33)51(30-19-44(75-3)64(82-10)45(20-30)76-4)35-26-41(88-60(35)50)57-58-54(70-90-72-58)37(28-68-57)39-25-34-52(31-21-46(77-5)65(83-11)47(22-31)78-6)62-36(27-40(87-62)56-55-38(13-15-67-56)69-89-71-55)53(61(34)86-39)32-23-48(79-7)66(84-12)49(24-32)80-8/h13-28H,1-12H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)sc(c3F)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3c3cc(c(c(c3)OC)OC)OC)scc4F)c3cc(c(c(c3)OC)OC)OC)s2)F)c2cc(c(c(c2)OC)OC)OC)s1)F	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(F)c(sc2c(c2c1sc(c2F)c1nccc2c1nsn2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nsn2)c1sc2c(c1F)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(F)cs1	


key: InChI
value:
  InChI=1S/C66H48F4N6O12S6/c1-77-32-15-25(16-33(78-2)56(32)85-9)40-44-30(67)24-89-61(44)41(26-17-34(79-3)57(86-10)35(18-26)80-4)45-49(69)66(91-62(40)45)55-53-51(74-94-76-53)29(23-72-55)60-48(68)46-42(27-19-36(81-5)58(87-11)37(20-27)82-6)64-47(50(70)65(92-64)54-52-31(13-14-71-54)73-93-75-52)43(63(46)90-60)28-21-38(83-7)59(88-12)39(22-28)84-8/h13-24H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nsn2)n3C)F)c1cc(c(c(c1)OC)OC)OC)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)n(cc3F)C)c2cc(c(c(c2)OC)OC)OC)n1C)F	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1nsn2)c1cc(OC)c(c(c1)OC)OC)C)c1cnc(c2c1nsn2)c1c(F)c2c(n1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)n(C)cc1F	


key: InChI
value:
  InChI=1S/C70H60F4N10O12S2/c1-81-28-34(71)48-44(29-19-36(85-5)67(93-13)37(20-29)86-6)62-49(45(61(48)81)30-21-38(87-7)68(94-14)39(22-30)88-8)53(73)66(83(62)3)59-57-55(78-98-80-57)33(27-76-59)60-52(72)50-46(31-23-40(89-9)69(95-15)41(24-31)90-10)64-51(54(74)65(84(64)4)58-56-35(17-18-75-58)77-97-79-56)47(63(50)82(60)2)32-25-42(91-11)70(96-16)43(26-32)92-12/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)C1=C([C]2C(=C3[C](C(=C2O1)c1cc(c(c(c1)OC)OC)OC)C(=C(c1nccc2c1nsn2)O3)F)[C]1C=C([C](C(=C1)OC)OC)OC)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)occ3F)[C]2C=C([C](C(=C2)OC)OC)OC)o1)F	


key: CAN_SMILES
value:
  CO[C]1C(=C[C](C=C1OC)C1=C2OC(=C([C]2C(=C2[C]1C(=C(O2)c1cnc(c2c1nsn2)c1oc2c(c1F)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2[C]2C=C(OC)[C](C(=C2)OC)OC)c(F)co1)F)c1cc(OC)c(c(c1)OC)OC)F)c1nccc2c1nsn2)OC	


key: InChI
value:
  InChI=1S/C66H48F4N6O16S2/c1-77-32-15-25(16-33(78-2)57(32)85-9)40-44-30(67)24-89-61(44)41(26-17-34(79-3)58(86-10)35(18-26)80-4)45-49(69)66(91-62(40)45)55-53-51(74-94-76-53)29(23-72-55)56-48(68)46-42(27-19-36(81-5)59(87-11)37(20-27)82-6)64-47(50(70)65(92-64)54-52-31(13-14-71-54)73-93-75-52)43(63(46)90-56)28-21-38(83-7)60(88-12)39(22-28)84-8/h13-24H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)F)F)n1C)C)C)c1c(c(c(n1C)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)C)C)[N]N([N]6)C)n4C)C)C)cc3F)c(c1)F)C)C)nn(n2)C	


key: CAN_SMILES
value:
  CN1[N]c2c([N]1)c(cnc2c1n(C)c(c(c1C)C)c1sc(c(c1)F)c1sc(cc1F)c1n(C)c(c(c1C)C)c1cnc(c2c1nn(n2)C)c1n(C)c(c(c1C)C)c1cc(c(s1)c1sccc1F)F)c1n(C)cc(c1C)C	


key: InChI
value:
  InChI=1S/C56H50F4N12S4/c1-23-22-67(9)46(24(23)2)31-20-61-44(42-40(31)63-71(13)65-42)51-30(8)28(6)50(70(51)12)39-19-36(60)56(76-39)55-35(59)18-37(75-55)48-26(4)25(3)47(68(48)10)32-21-62-45(43-41(32)64-72(14)66-43)52-29(7)27(5)49(69(52)11)38-17-34(58)54(74-38)53-33(57)15-16-73-53/h15-22H,1-14H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(s3)c3cccs3)n1C)C)C)c1c(c(c(n1C)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)C)C)nn(n6)C)n4C)C)C)cc3)cc1)C)C)nn(n2)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c(c(c1C)C)c1ccc(s1)c1ccc(s1)c1n(C)c(c(c1C)C)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1C)C)c1n(C)c(c(c1C)C)c1ccc(s1)c1cccs1	


key: InChI
value:
  InChI=1S/C56H54N12S4/c1-27-26-63(9)50(28(27)2)35-24-57-48(46-44(35)59-67(13)61-46)55-34(8)32(6)54(66(55)12)43-22-19-40(72-43)39-18-21-41(71-39)52-30(4)29(3)51(64(52)10)36-25-58-49(47-45(36)60-68(14)62-47)56-33(7)31(5)53(65(56)11)42-20-17-38(70-42)37-16-15-23-69-37/h15-26H,1-14H3


key: InChI
value:
  InChI=1S/C26H12N6S2Se4Si2/c1-3-27-20(19-10(1)29-33-31-19)12-6-17-26(38-12)25-15(40-17)5-11(36-25)9-8-28-21(22-18(9)30-34-32-22)13-7-16-24(37-13)23-14(39-16)2-4-35-23/h1-8H,39-40H2


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(c4cccn4C)n3C)n1C)C)C)c1c(c(c(n1C)c1ccc(c3ccc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)C)C)nn(n6)C)n4C)C)C)n3C)n1C)C)C)nn(n2)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c(c(c1C)C)c1ccc(n1C)c1ccc(n1C)c1n(C)c(c(c1C)C)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1C)C)c1c(C)c(c(n1C)c1ccc(n1C)c1cccn1C)C	


key: InChI
value:
  InChI=1S/C60H66N16/c1-31-30-68(10)54(32(31)2)39-28-61-52(50-48(39)63-75(17)65-50)59-38(8)36(6)58(74(59)16)47-26-23-44(71(47)13)43-22-25-45(70(43)12)56-34(4)33(3)55(72(56)14)40-29-62-53(51-49(40)64-76(18)66-51)60-37(7)35(5)57(73(60)15)46-24-21-42(69(46)11)41-20-19-27-67(41)9/h19-30H,1-18H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)F)F)o1)C)C)c1c(c(c(o1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(co5)C)C)[N]O[N]6)o4)C)C)cc3F)c(c1)F)C)C)non2	


key: CAN_SMILES
value:
  Fc1cc(sc1c1sc(cc1F)c1oc(c(c1C)C)c1ncc(c2c1[N]O[N]2)c1occ(c1C)C)c1oc(c(c1C)C)c1cnc(c2c1non2)c1oc(c(c1C)C)c1cc(c(s1)c1sccc1F)F	


key: InChI
value:
  InChI=1S/C50H32F4N6O6S4/c1-17-16-61-40(18(17)2)25-14-55-38(36-34(25)57-65-59-36)45-24(8)22(6)44(64-45)33-13-30(54)50(70-33)49-29(53)12-31(69-49)42-20(4)19(3)41(62-42)26-15-56-39(37-35(26)58-66-60-37)46-23(7)21(5)43(63-46)32-11-28(52)48(68-32)47-27(51)9-10-67-47/h9-16H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(c4cccn4C)n3C)o1)C)C)c1c(c(c(o1)c1ccc(c3ccc(c4c(c(c(c5c6c(c(cn5)c5c(c(co5)C)C)non6)o4)C)C)n3C)n1C)C)C)non2	


key: CAN_SMILES
value:
  Cn1c(ccc1c1ccc(n1C)c1oc(c(c1C)C)c1ncc(c2c1non2)c1occ(c1C)C)c1oc(c(c1C)C)c1cnc(c2c1non2)c1oc(c(c1C)C)c1ccc(n1C)c1cccn1C	


key: InChI
value:
  InChI=1S/C54H48N10O6/c1-25-24-65-48(26(25)2)33-22-55-46(44-42(33)57-69-59-44)53-32(8)30(6)52(68-53)41-20-17-38(64(41)12)37-16-19-39(63(37)11)50-28(4)27(3)49(66-50)34-23-56-47(45-43(34)58-70-60-45)54-31(7)29(5)51(67-54)40-18-15-36(62(40)10)35-14-13-21-61(35)9/h13-24H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cc(o3)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(cco7)OC)o6)OC)C)C)nc4)nsn5)s3)C)C)OC)o1)OC)C)C)c1c(c(cs1)C)C)nsn2	


key: CAN_SMILES
value:
  COc1cc(oc1c1oc(cc1OC)c1sc(c(c1C)C)c1ncc(c2c1nsn2)c1scc(c1C)C)c1sc(c(c1C)C)c1cnc(c2c1nsn2)c1sc(c(c1C)C)c1cc(c(o1)c1occc1OC)OC	


key: InChI
value:
  InChI=1S/C54H44N6O8S6/c1-21-20-69-48(22(21)2)29-18-55-42(40-38(29)57-73-59-40)53-28(8)26(6)52(72-53)37-17-34(64-12)47(68-37)46-33(63-11)16-35(67-46)50-24(4)23(3)49(70-50)30-19-56-43(41-39(30)58-74-60-41)54-27(7)25(5)51(71-54)36-15-32(62-10)45(66-36)44-31(61-9)13-14-65-44/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(c(cn3C)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(ccn7C)SC)n6C)SC)C)C)nc4)nsn5)s3)C)C)SC)n1C)SC)C)C)c1c(c(cs1)C)C)nsn2	


key: CAN_SMILES
value:
  CSc1c(cn(c1c1c(SC)cc(n1C)c1sc(c(c1C)C)c1ncc(c2c1nsn2)c1scc(c1C)C)C)c1sc(c(c1C)C)c1cnc(c2c1nsn2)c1sc(c(c1C)C)c1cc(c(n1C)c1n(C)ccc1SC)SC	


key: InChI
value:
  InChI=1S/C58H56N10S10/c1-25-24-73-51(26(25)2)33-21-59-45(43-41(33)61-77-63-43)56-32(8)30(6)55(76-56)37-20-40(71-15)49(68(37)12)50-58(72-16)35(23-66(50)10)53-28(4)27(3)52(74-53)34-22-60-46(44-42(34)62-78-64-44)57-31(7)29(5)54(75-57)36-19-39(70-14)48(67(36)11)47-38(69-13)17-18-65(47)9/h17-24H,1-16H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(c4ccc(n4C)c4c(c(c(c5c6c(c(c7c(c(c(c8ccc(c9cccn9C)n8C)n7C)F)F)nc5)nn(n6)C)n4C)F)F)n3C)n1C)F)F)c1c(c(cn1C)F)F)nn(n2)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c(c(c1F)F)c1ccc(n1C)c1ccc(n1C)c1n(C)c(c(c1F)F)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1F)F)c1c(F)c(c(n1C)c1ccc(n1C)c1cccn1C)F	


key: InChI
value:
  InChI=1S/C52H42F8N16/c1-67-19-11-12-26(67)27-13-16-31(69(27)3)49-36(57)38(59)52(73(49)7)45-43-41(64-76(10)66-43)24(21-62-45)47-34(55)35(56)48(72(47)6)30-17-14-28(70(30)4)29-15-18-32(71(29)5)50-37(58)39(60)51(74(50)8)44-42-40(63-75(9)65-42)23(20-61-44)46-33(54)25(53)22-68(46)2/h11-22H,1-10H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3ccc(s3)c3ccc(s3)c3ccc(c4c5c(c(c6ccc(c7ccc(s7)c7cccs7)o6)nc4)non5)o3)o1)c1ccco1)non2	


key: CAN_SMILES
value:
  c1coc(c1)c1cnc(c2c1non2)c1ccc(o1)c1ccc(s1)c1ccc(s1)c1ccc(o1)c1cnc(c2c1non2)c1ccc(o1)c1ccc(s1)c1cccs1	


key: InChI
value:
  InChI=1S/C42H20N6O6S4/c1-3-23(49-17-1)21-19-43-39(41-37(21)45-53-47-41)28-10-8-27(52-28)32-13-16-36(58-32)35-15-12-30(57-35)25-6-5-24(50-25)22-20-44-40(42-38(22)46-54-48-42)29-9-7-26(51-29)31-11-14-34(56-31)33-4-2-18-55-33/h1-20H


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cc(o3)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(cco7)SC)o6)SC)C)C)nc4)nsn5)s3)C)C)SC)o1)SC)C)C)c1c(c(cs1)C)C)nsn2	


key: CAN_SMILES
value:
  CSc1cc(oc1c1oc(cc1SC)c1sc(c(c1C)C)c1ncc(c2c1nsn2)c1scc(c1C)C)c1sc(c(c1C)C)c1cnc(c2c1nsn2)c1sc(c(c1C)C)c1cc(c(o1)c1occc1SC)SC	


key: InChI
value:
  InChI=1S/C54H44N6O4S10/c1-21-20-69-48(22(21)2)29-18-55-42(40-38(29)57-73-59-40)53-28(8)26(6)52(72-53)33-17-37(68-12)47(64-33)46-36(67-11)16-31(63-46)50-24(4)23(3)49(70-50)30-19-56-43(41-39(30)58-74-60-41)54-27(7)25(5)51(71-54)32-15-35(66-10)45(62-32)44-34(65-9)13-14-61-44/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(cc(s1)c1c(c(c(c3c4c(c(c5c(c(c(s5)c5cc(c(s5)c5c(ccs5)SC)SC)C)C)nc3)nsn4)s1)C)C)SC)SC)C)C)c1c(c(cs1)C)C)[n]s[n]2	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc(cc1SC)c1sc(c(c1C)C)c1ncc(c2c1[n]s[n]2)c1scc(c1C)C)c1sc(c(c1C)C)c1cnc(c2c1nsn2)c1sc(c(c1C)C)c1cc(c(s1)c1sccc1SC)SC	


key: InChI
value:
  InChI=1S/C54H44N6S14/c1-21-20-66-44(22(21)2)29-18-55-42(40-38(29)57-73-59-40)49-28(8)26(6)48(72-49)37-17-34(64-12)54(69-37)53-33(63-11)16-35(68-53)46-24(4)23(3)45(70-46)30-19-56-43(41-39(30)58-74-60-41)50-27(7)25(5)47(71-50)36-15-32(62-10)52(67-36)51-31(61-9)13-14-65-51/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)C)C)n1C)F)F)c1c(c(c(n1C)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)F)F)nn(n6)C)n4C)F)F)cc3C)c(c1)C)F)F)nn(n2)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c(c(c1F)F)c1cc(c(s1)c1sc(cc1C)c1n(C)c(c(c1F)F)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1F)F)C)c1n(C)c(c(c1F)F)c1cc(c(s1)c1sccc1C)C	


key: InChI
value:
  InChI=1S/C52H38F8N12S4/c1-19-11-12-73-49(19)50-20(2)13-27(74-50)45-32(57)34(59)48(69(45)7)41-39-37(64-72(10)66-39)24(17-62-41)43-30(55)31(56)44(68(43)6)26-14-21(3)51(75-26)52-22(4)15-28(76-52)46-33(58)35(60)47(70(46)8)40-38-36(63-71(9)65-38)23(16-61-40)42-29(54)25(53)18-67(42)5/h11-18H,1-10H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)F)F)n1C)F)F)c1c(c(c(n1C)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)F)F)nn(n6)C)n4C)F)F)cc3F)c(c1)F)F)F)nn(n2)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c(c(c1F)F)c1cc(c(s1)c1sc(cc1F)c1n(C)c(c(c1F)F)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1F)F)F)c1n(C)c(c(c1F)F)c1cc(c(s1)c1sccc1F)F	


key: InChI
value:
  InChI=1S/C48H26F12N12S4/c1-67-14-21(53)25(54)38(67)15-12-61-36(34-32(15)63-71(5)65-34)43-31(60)29(58)42(70(43)4)24-11-20(52)48(76-24)47-19(51)10-22(75-47)40-27(56)26(55)39(68(40)2)16-13-62-37(35-33(16)64-72(6)66-35)44-30(59)28(57)41(69(44)3)23-9-18(50)46(74-23)45-17(49)7-8-73-45/h7-14H,1-6H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(c4c(cc(o4)c4ccc(c5c6c(c(c7ccc(c8cc(c(c9c(cco9)C)o8)C)o7)nc5)non6)o4)C)o3)C)o1)c1ccco1)non2	


key: CAN_SMILES
value:
  Cc1cc(oc1c1oc(cc1C)c1ccc(o1)c1ncc(c2c1non2)c1ccco1)c1ccc(o1)c1cnc(c2c1non2)c1ccc(o1)c1cc(c(o1)c1occc1C)C	


key: InChI
value:
  InChI=1S/C46H28N6O10/c1-21-13-15-54-43(21)44-22(2)16-35(58-44)30-9-11-33(56-30)40-42-38(50-62-52-42)26(20-48-40)28-7-8-29(55-28)34-17-23(3)45(59-34)46-24(4)18-36(60-46)31-10-12-32(57-31)39-41-37(49-61-51-41)25(19-47-39)27-6-5-14-53-27/h5-20H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(s1)c1cc(c(c3c(cc(n3C)c3ccc(c4c5c(c(c6ccc(s6)c6cc(c(c7c(ccn7C)C)n6C)C)nc4)nsn5)s3)C)n1C)C)c1cccs1)nsn2	


key: CAN_SMILES
value:
  Cc1cc(n(c1c1c(C)cc(n1C)c1ccc(s1)c1ncc(c2c1nsn2)c1cccs1)C)c1ccc(s1)c1cnc(c2c1nsn2)c1ccc(s1)c1cc(c(n1C)c1c(C)ccn1C)C	


key: InChI
value:
  InChI=1S/C50H40N10S6/c1-25-17-18-57(5)47(25)48-26(2)20-32(58(48)6)37-13-15-40(63-37)44-46-42(54-66-56-46)30(24-52-44)35-11-12-36(62-35)31-21-27(3)49(59(31)7)50-28(4)22-33(60(50)8)38-14-16-39(64-38)43-45-41(53-65-55-45)29(23-51-43)34-10-9-19-61-34/h9-24H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(s1)c1cc(c(c3c(cc(o3)c3ccc(c4c5c(c(c6ccc(s6)c6cc(c(c7c(cco7)SC)o6)SC)nc4)nsn5)s3)SC)o1)SC)c1cccs1)nsn2	


key: CAN_SMILES
value:
  CSc1cc(oc1c1oc(cc1SC)c1ccc(s1)c1ncc(c2c1nsn2)c1cccs1)c1ccc(s1)c1cnc(c2c1nsn2)c1ccc(s1)c1oc(c(c1)SC)c1occc1SC	


key: InChI
value:
  InChI=1S/C46H28N6O4S10/c1-57-33-13-14-53-43(33)44-34(58-2)16-24(54-44)29-9-11-32(63-29)40-42-38(50-66-52-42)22(20-48-40)27-7-8-28(62-27)23-17-35(59-3)45(55-23)46-36(60-4)18-25(56-46)30-10-12-31(64-30)39-41-37(49-65-51-41)21(19-47-39)26-6-5-15-61-26/h5-20H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(c4ccco4)o3)n1C)F)F)c1c(c(c(n1C)c1ccc(c3ccc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)F)F)nn(n6)C)n4C)F)F)o3)o1)F)F)nn(n2)C	


key: CAN_SMILES
value:
  Cn1nc2c(n1)c(ncc2c1n(C)c(c(c1F)F)c1ccc(o1)c1ccc(o1)c1n(C)c(c(c1F)F)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1F)F)c1n(C)c(c(c1F)F)c1ccc(o1)c1ccco1	


key: InChI
value:
  InChI=1S/C48H30F8N12O4/c1-63-18-21(49)29(50)42(63)19-16-57-40(38-36(19)59-67(5)61-38)47-35(56)33(54)46(66(47)4)28-14-11-25(72-28)24-10-13-26(71-24)44-31(52)30(51)43(64(44)2)20-17-58-41(39-37(20)60-68(6)62-39)48-34(55)32(53)45(65(48)3)27-12-9-23(70-27)22-8-7-15-69-22/h7-18H,1-6H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(c4ccc(n4C)c4c(c(c(c5c6c(c(c7c(c(c(c8ccc(c9cccn9C)n8C)o7)F)F)nc5)non6)o4)F)F)n3C)o1)F)F)c1c(c(co1)F)F)non2	


key: CAN_SMILES
value:
  Cn1c(ccc1c1ccc(n1C)c1oc(c(c1F)F)c1ncc(c2c1non2)c1occ(c1F)F)c1oc(c(c1F)F)c1cnc(c2c1non2)c1oc(c(c1F)F)c1ccc(n1C)c1cccn1C	


key: InChI
value:
  InChI=1S/C46H24F8N10O6/c1-61-13-5-6-20(61)21-7-10-25(62(21)2)43-30(51)32(53)46(67-43)39-37-35(58-70-60-37)18(15-56-39)41-28(49)29(50)42(66-41)24-11-8-22(63(24)3)23-9-12-26(64(23)4)44-31(52)33(54)45(68-44)38-36-34(57-69-59-36)17(14-55-38)40-27(48)19(47)16-65-40/h5-16H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(c4ccco4)o3)o1)F)F)c1c(c(c(o1)c1ccc(c3ccc(c4c(c(c(c5c6c(c(cn5)c5c(c(co5)F)F)non6)o4)F)F)o3)o1)F)F)[N]O[N]2	


key: CAN_SMILES
value:
  Fc1c(oc(c1F)c1cnc(c2c1[N]O[N]2)c1oc(c(c1F)F)c1ccc(o1)c1ccco1)c1ccc(o1)c1ccc(o1)c1oc(c(c1F)F)c1ncc(c2c1non2)c1occ(c1F)F	


key: InChI
value:
  InChI=1S/C42H12F8N6O10/c43-15-12-58-36(23(15)44)13-10-51-34(32-30(13)53-65-55-32)41-29(50)27(48)40(64-41)22-8-5-19(61-22)18-4-7-20(60-18)38-25(46)24(45)37(62-38)14-11-52-35(33-31(14)54-66-56-33)42-28(49)26(47)39(63-42)21-6-3-17(59-21)16-2-1-9-57-16/h1-12H


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)C)C)o1)F)F)c1c(c(c(o1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(co5)F)F)non6)o4)F)F)cc3C)c(c1)C)F)F)non2	


key: CAN_SMILES
value:
  Cc1cc(sc1c1sc(cc1C)c1oc(c(c1F)F)c1ncc(c2c1non2)c1occ(c1F)F)c1oc(c(c1F)F)c1cnc(c2c1non2)c1oc(c(c1F)F)c1cc(c(s1)c1sccc1C)C	


key: InChI
value:
  InChI=1S/C46H20F8N6O6S4/c1-13-5-6-67-43(13)44-14(2)7-21(68-44)39-26(51)28(53)42(63-39)35-33-31(58-66-60-33)18(11-56-35)37-24(49)25(50)38(62-37)20-8-15(3)45(69-20)46-16(4)9-22(70-46)40-27(52)29(54)41(64-40)34-32-30(57-65-59-32)17(10-55-34)36-23(48)19(47)12-61-36/h5-12H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cc(o3)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(cco7)C)o6)C)F)F)nc4)[n]s[n]5)s3)F)F)C)o1)C)F)F)c1c(c(cs1)F)F)nsn2	


key: CAN_SMILES
value:
  Cc1cc(oc1c1oc(cc1C)c1sc(c(c1F)F)c1ncc(c2c1nsn2)c1scc(c1F)F)c1sc(c(c1F)F)c1cnc(c2c1[n]s[n]2)c1sc(c(c1F)F)c1cc(c(o1)c1occc1C)C	


key: InChI
value:
  InChI=1S/C46H20F8N6O4S6/c1-13-5-6-61-36(13)37-14(2)7-21(62-37)43-26(51)28(53)46(67-43)35-33-31(58-70-60-33)18(11-56-35)41-24(49)25(50)42(66-41)20-8-15(3)38(63-20)39-16(4)9-22(64-39)44-27(52)29(54)45(68-44)34-32-30(57-69-59-32)17(10-55-34)40-23(48)19(47)12-65-40/h5-12H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(cc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7cc(c(s7)c7c(ccs7)C)C)o6)SC)SC)nc4)non5)o3)SC)SC)C)C)o1)SC)SC)c1c(c(co1)SC)SC)non2	


key: CAN_SMILES
value:
  CSc1c(oc(c1SC)c1cnc(c2c1non2)c1oc(c(c1SC)SC)c1cc(c(s1)c1sccc1C)C)c1cc(c(s1)c1sc(cc1C)c1oc(c(c1SC)SC)c1ncc(c2c1non2)c1occ(c1SC)SC)C	


key: InChI
value:
  InChI=1S/C54H44N6O6S12/c1-21-13-14-75-44(21)45-22(2)15-28(76-45)40-51(71-9)54(74-12)43(63-40)36-34-32(58-66-60-34)26(19-56-36)38-49(69-7)50(70-8)39(62-38)27-16-23(3)46(77-27)47-24(4)17-29(78-47)41-52(72-10)53(73-11)42(64-41)35-33-31(57-65-59-33)25(18-55-35)37-48(68-6)30(67-5)20-61-37/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(s3)c3ccc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7ccc(s7)c7cccs7)o6)F)F)nc4)non5)o3)F)F)o1)F)F)c1c(c(co1)F)F)non2	


key: CAN_SMILES
value:
  Fc1c(oc(c1F)c1cnc(c2c1non2)c1oc(c(c1F)F)c1ccc(s1)c1cccs1)c1ccc(s1)c1ccc(s1)c1oc(c(c1F)F)c1ncc(c2c1non2)c1occ(c1F)F	


key: InChI
value:
  InChI=1S/C42H12F8N6O6S4/c43-15-12-57-36(23(15)44)13-10-51-34(32-30(13)53-61-55-32)41-29(50)27(48)40(60-41)22-8-5-19(66-22)18-4-7-20(65-18)38-25(46)24(45)37(58-38)14-11-52-35(33-31(14)54-62-56-33)42-28(49)26(47)39(59-42)21-6-3-17(64-21)16-2-1-9-63-16/h1-12H


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(cc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7cc(c(s7)c7c(ccs7)OC)OC)o6)F)F)nc4)[N]O[N]5)o3)F)F)OC)OC)o1)F)F)c1c(c(co1)F)F)non2	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1OC)c1oc(c(c1F)F)c1ncc(c2c1non2)c1occ(c1F)F)c1oc(c(c1F)F)c1cnc(c2c1[N]O[N]2)c1oc(c(c1F)F)c1cc(c(s1)c1sccc1OC)OC	


key: InChI
value:
  InChI=1S/C46H20F8N6O10S4/c1-61-16-5-6-71-43(16)44-17(62-2)7-21(72-44)39-26(51)28(53)42(67-39)35-33-31(58-70-60-33)14(11-56-35)37-24(49)25(50)38(66-37)20-8-18(63-3)45(73-20)46-19(64-4)9-22(74-46)40-27(52)29(54)41(68-40)34-32-30(57-69-59-32)13(10-55-34)36-23(48)15(47)12-65-36/h5-12H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(s1)c1cc(c(s1)c1c(cc(s1)c1ccc(c3c4c(c(c5ccc(s5)c5cc(c(s5)c5c(ccs5)SC)SC)nc3)nsn4)s1)SC)SC)c1cccs1)nsn2	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc(cc1SC)c1ccc(s1)c1ncc(c2c1nsn2)c1cccs1)c1ccc(s1)c1cnc(c2c1nsn2)c1ccc(s1)c1sc(c(c1)SC)c1sccc1SC	


key: InChI
value:
  InChI=1S/C46H28N6S14/c1-53-30-13-15-58-43(30)44-34(54-2)16-32(62-44)26-9-11-29(60-26)40-42-38(50-66-52-42)22(20-48-40)24-7-8-25(59-24)31-17-35(55-3)45(63-31)46-36(56-4)18-33(64-46)27-10-12-28(61-27)39-41-37(49-65-51-41)21(19-47-39)23-6-5-14-57-23/h5-20H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(cc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7cc(c(s7)c7c(ccs7)SC)SC)o6)F)F)nc4)non5)o3)F)F)SC)SC)o1)F)F)c1c(c(co1)F)F)non2	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc(cc1SC)c1oc(c(c1F)F)c1ncc(c2c1non2)c1occ(c1F)F)c1oc(c(c1F)F)c1cnc(c2c1non2)c1oc(c(c1F)F)c1cc(c(s1)c1sccc1SC)SC	


key: InChI
value:
  InChI=1S/C46H20F8N6O6S8/c1-67-16-5-6-71-43(16)44-20(68-2)7-18(72-44)39-26(51)28(53)42(63-39)35-33-31(58-66-60-33)14(11-56-35)37-24(49)25(50)38(62-37)17-8-21(69-3)45(73-17)46-22(70-4)9-19(74-46)40-27(52)29(54)41(64-40)34-32-30(57-65-59-32)13(10-55-34)36-23(48)15(47)12-61-36/h5-12H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cc(n3C)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(ccn7C)C)n6C)C)F)F)nc4)nsn5)s3)F)F)C)n1C)C)F)F)c1c(c(cs1)F)F)nsn2	


key: CAN_SMILES
value:
  Cc1cc(n(c1c1c(C)cc(n1C)c1sc(c(c1F)F)c1ncc(c2c1nsn2)c1scc(c1F)F)C)c1sc(c(c1F)F)c1cnc(c2c1nsn2)c1sc(c(c1F)F)c1cc(c(n1C)c1c(C)ccn1C)C	


key: InChI
value:
  InChI=1S/C50H32F8N10S6/c1-17-9-10-65(5)40(17)41-18(2)11-25(66(41)6)47-30(55)32(57)50(71-47)39-37-35(62-74-64-37)22(15-60-39)45-28(53)29(54)46(70-45)24-12-19(3)42(67(24)7)43-20(4)13-26(68(43)8)48-31(56)33(58)49(72-48)38-36-34(61-73-63-36)21(14-59-38)44-27(52)23(51)16-69-44/h9-16H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(cc(s1)c1c(c(c(c3c4c(c(c5c(c(c(s5)c5cc(c(s5)c5c(ccs5)C)C)F)F)nc3)nsn4)s1)F)F)C)C)F)F)c1c(c(cs1)F)F)nsn2	


key: CAN_SMILES
value:
  Cc1cc(sc1c1sc(cc1C)c1sc(c(c1F)F)c1ncc(c2c1nsn2)c1scc(c1F)F)c1sc(c(c1F)F)c1cnc(c2c1nsn2)c1sc(c(c1F)F)c1cc(c(s1)c1sccc1C)C	


key: InChI
value:
  InChI=1S/C46H20F8N6S10/c1-13-5-6-61-36(13)37-14(2)7-21(63-37)43-26(51)28(53)46(67-43)35-33-31(58-70-60-33)18(11-56-35)41-24(49)25(50)42(66-41)20-8-15(3)38(64-20)39-16(4)9-22(65-39)44-27(52)29(54)45(68-44)34-32-30(57-69-59-32)17(10-55-34)40-23(48)19(47)12-62-40/h5-12H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(s1)c1cc(c(c3c(cc(o3)c3ccc(c4c5c(c(c6ccc(s6)c6cc(c(c7c(cco7)OC)o6)OC)nc4)nsn5)s3)OC)o1)OC)c1cccs1)[n]s[n]2	


key: CAN_SMILES
value:
  COc1cc(oc1c1oc(cc1OC)c1ccc(s1)c1ncc(c2c1[n]s[n]2)c1cccs1)c1ccc(s1)c1cnc(c2c1nsn2)c1ccc(s1)c1oc(c(c1)OC)c1occc1OC	


key: InChI
value:
  InChI=1S/C46H28N6O8S6/c1-53-23-13-14-57-43(23)44-27(54-2)16-25(58-44)33-9-11-36(63-33)40-42-38(50-66-52-42)22(20-48-40)31-7-8-32(62-31)24-17-28(55-3)45(59-24)46-29(56-4)18-26(60-46)34-10-12-35(64-34)39-41-37(49-65-51-41)21(19-47-39)30-6-5-15-61-30/h5-20H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(s1)c1cc(c(c3c(cco3)F)o1)F)c1ccc(s1)c1cc(c(c3c(cc(c4ccc(c5c6c(c(cn5)c5cccs5)nsn6)s4)o3)F)o1)F)nsn2	


key: CAN_SMILES
value:
  Fc1cc(oc1c1oc(cc1F)c1ccc(s1)c1ncc(c2c1nsn2)c1cccs1)c1ccc(s1)c1cnc(c2c1nsn2)c1ccc(s1)c1cc(c(o1)c1occc1F)F	


key: InChI
value:
  InChI=1S/C42H16F4N6O4S6/c43-19-9-10-53-39(19)40-20(44)12-24(54-40)29-5-7-32(59-29)36-38-34(50-62-52-38)18(16-48-36)27-3-4-28(58-27)23-13-21(45)41(55-23)42-22(46)14-25(56-42)30-6-8-31(60-30)35-37-33(49-61-51-37)17(15-47-35)26-2-1-11-57-26/h1-16H


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(cc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7cc(c(s7)c7c(ccs7)F)F)o6)SC)SC)nc4)non5)o3)SC)SC)F)F)o1)SC)SC)c1c(c(co1)SC)SC)non2	


key: CAN_SMILES
value:
  CSc1c(oc(c1SC)c1cnc(c2c1non2)c1oc(c(c1SC)SC)c1cc(c(s1)c1sccc1F)F)c1cc(c(s1)c1sc(cc1F)c1oc(c(c1SC)SC)c1ncc(c2c1non2)c1occ(c1SC)SC)F	


key: InChI
value:
  InChI=1S/C50H32F4N6O6S12/c1-67-26-16-61-33(44(26)68-2)17-14-55-31(29-27(17)57-65-59-29)38-49(73-7)48(72-6)37(64-38)25-13-22(54)43(78-25)42-21(53)12-23(77-42)35-46(70-4)45(69-3)34(62-35)18-15-56-32(30-28(18)58-66-60-30)39-50(74-8)47(71-5)36(63-39)24-11-20(52)41(76-24)40-19(51)9-10-75-40/h9-16H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(c4ccc(n4C)c4c(c(c(c5c6c(c(c7c(c(c(c8ccc(c9cccn9C)n8C)o7)SC)SC)nc5)non6)o4)SC)SC)n3C)o1)SC)SC)c1c(c(co1)SC)SC)non2	


key: CAN_SMILES
value:
  CSc1c(SC)c(oc1c1ccc(n1C)c1ccc(n1C)c1oc(c(c1SC)SC)c1ncc(c2c1non2)c1occ(c1SC)SC)c1cnc(c2c1non2)c1oc(c(c1SC)SC)c1ccc(n1C)c1cccn1C	


key: InChI
value:
  InChI=1S/C54H48N10O6S8/c1-61-21-13-14-27(61)28-15-18-32(62(28)2)44-51(75-9)54(78-12)47(67-44)40-38-36(58-70-60-38)26(23-56-40)42-49(73-7)50(74-8)43(66-42)31-19-16-29(63(31)3)30-17-20-33(64(30)4)45-52(76-10)53(77-11)46(68-45)39-37-35(57-69-59-37)25(22-55-39)41-48(72-6)34(71-5)24-65-41/h13-24H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(c4ccc(o4)c4c(c(c(c5c6c(c(c7c(c(c(c8ccc(c9ccco9)o8)o7)SC)SC)nc5)[N]O[N]6)o4)SC)SC)o3)o1)SC)SC)c1c(c(co1)SC)SC)non2	


key: CAN_SMILES
value:
  CSc1c(oc(c1SC)c1cnc(c2c1[N]O[N]2)c1oc(c(c1SC)SC)c1ccc(o1)c1ccco1)c1ccc(o1)c1ccc(o1)c1oc(c(c1SC)SC)c1ncc(c2c1non2)c1occ(c1SC)SC	


key: InChI
value:
  InChI=1S/C50H36N6O10S8/c1-67-30-20-58-37(44(30)68-2)21-18-51-35(33-31(21)53-65-55-33)42-49(73-7)48(72-6)41(64-42)29-16-13-26(61-29)25-12-15-27(60-25)39-46(70-4)45(69-3)38(62-39)22-19-52-36(34-32(22)54-66-56-34)43-50(74-8)47(71-5)40(63-43)28-14-11-24(59-28)23-10-9-17-57-23/h9-20H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(s1)c1cc(c(s1)c1c(ccs1)F)F)c1ccc(s1)c1sc(c3sc(c4ccc(c5c6c(c(cn5)c5cccs5)nsn6)s4)cc3F)c(c1)F)nsn2	


key: CAN_SMILES
value:
  Fc1cc(sc1c1sc(cc1F)c1ccc(s1)c1ncc(c2c1nsn2)c1cccs1)c1ccc(s1)c1cnc(c2c1nsn2)c1ccc(s1)c1cc(c(s1)c1sccc1F)F	


key: InChI
value:
  InChI=1S/C42H16F4N6S10/c43-19-9-11-54-39(19)40-20(44)12-31(58-40)26-5-7-29(56-26)36-38-34(50-62-52-38)18(16-48-36)24-3-4-25(55-24)30-13-21(45)41(59-30)42-22(46)14-32(60-42)27-6-8-28(57-27)35-37-33(49-61-51-37)17(15-47-35)23-2-1-10-53-23/h1-16H


key: SMILES
value:
  c12c(c(cnc1c1ccc(s1)c1cc(c(c3c(cc(n3C)c3ccc(c4c5c(c(c6ccc(s6)c6cc(c(c7c(ccn7C)F)n6C)F)nc4)[n]s[n]5)s3)F)n1C)F)c1cccs1)nsn2	


key: CAN_SMILES
value:
  Fc1cc(n(c1c1c(F)cc(n1C)c1ccc(s1)c1ncc(c2c1nsn2)c1cccs1)C)c1ccc(s1)c1cnc(c2c1[n]s[n]2)c1ccc(s1)c1cc(c(n1C)c1c(F)ccn1C)F	


key: InChI
value:
  InChI=1S/C46H28F4N10S6/c1-57-14-13-23(47)43(57)44-24(48)16-28(58(44)2)33-9-11-36(63-33)40-42-38(54-66-56-42)22(20-52-40)31-7-8-32(62-31)27-17-25(49)45(59(27)3)46-26(50)18-29(60(46)4)34-10-12-35(64-34)39-41-37(53-65-55-41)21(19-51-39)30-6-5-15-61-30/h5-20H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(s1)c1ccc(s1)c1cccs1)c1ccc(s1)c1sc(c3sc(c4ccc(c5c6c(c(cn5)c5cccs5)nsn6)s4)cc3)cc1)nsn2	


key: CAN_SMILES
value:
  c1csc(c1)c1ccc(s1)c1ccc(s1)c1ncc(c2c1nsn2)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ncc(c2c1nsn2)c1cccs1	


key: InChI
value:
  InChI=1S/C42H20N6S10/c1-3-23(49-17-1)21-19-43-39(41-37(21)45-57-47-41)35-16-14-34(56-35)32-12-11-30(54-32)29-10-9-28(53-29)27-6-5-24(51-27)22-20-44-40(42-38(22)46-58-48-42)36-15-13-33(55-36)31-8-7-26(52-31)25-4-2-18-50-25/h1-20H


key: SMILES
value:
  c12c(c(cnc1c1ccc(s1)c1cc(c(s1)c1c(cc(s1)c1ccc(c3c4c(c(c5ccc(s5)c5cc(c(s5)c5c(ccs5)OC)OC)nc3)nsn4)s1)OC)OC)c1cccs1)nsn2	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1OC)c1ccc(s1)c1ncc(c2c1nsn2)c1cccs1)c1ccc(s1)c1cnc(c2c1nsn2)c1ccc(s1)c1sc(c(c1)OC)c1sccc1OC	


key: InChI
value:
  InChI=1S/C46H28N6O4S10/c1-53-23-13-15-58-43(23)44-24(54-2)16-35(62-44)30-9-11-33(60-30)40-42-38(50-66-52-42)22(20-48-40)28-7-8-29(59-28)34-17-25(55-3)45(63-34)46-26(56-4)18-36(64-46)31-10-12-32(61-31)39-41-37(49-65-51-41)21(19-47-39)27-6-5-14-57-27/h5-20H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)C)C)n1C)OC)OC)c1c(c(c(n1C)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)OC)OC)[N]N([N]6)C)n4C)OC)OC)cc3C)c(c1)C)OC)OC)nn(n2)C	


key: CAN_SMILES
value:
  COc1c(c2cc(c(s2)c2sc(cc2C)c2c(OC)c(c(n2C)c2ncc(c3c2[N]N([N]3)C)c2n(C)cc(c2OC)OC)OC)C)n(c(c1OC)c1cnc(c2c1nn(n2)C)c1c(OC)c(c(n1C)c1cc(c(s1)c1sccc1C)C)OC)C	


key: InChI
value:
  InChI=1S/C60H62N12O8S4/c1-27-19-20-81-57(27)58-28(2)21-35(82-58)46-53(77-15)56(80-18)49(69(46)7)42-40-38(64-72(10)66-40)32(25-62-42)44-51(75-13)52(76-14)45(68(44)6)34-22-29(3)59(83-34)60-30(4)23-36(84-60)47-54(78-16)55(79-17)48(70(47)8)41-39-37(63-71(9)65-39)31(24-61-41)43-50(74-12)33(73-11)26-67(43)5/h19-26H,1-18H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(c4c(cc(n4C)c4ccc(c5c6c(c(c7ccc(c8cc(c(c9c(ccn9C)F)n8C)F)o7)nc5)[N]O[N]6)o4)F)n3C)F)o1)c1ccco1)[N]O[N]2	


key: CAN_SMILES
value:
  Fc1cc(n(c1c1c(F)cc(n1C)c1ccc(o1)c1ncc(c2c1[N]O[N]2)c1ccco1)C)c1ccc(o1)c1cnc(c2c1[N]O[N]2)c1ccc(o1)c1cc(c(n1C)c1c(F)ccn1C)F	


key: InChI
value:
  InChI=1S/C46H28F4N10O6/c1-57-14-13-23(47)43(57)44-24(48)16-28(58(44)2)33-9-11-36(63-33)40-42-38(54-66-56-42)22(20-52-40)31-7-8-32(62-31)27-17-25(49)45(59(27)3)46-26(50)18-29(60(46)4)34-10-12-35(64-34)39-41-37(53-65-55-41)21(19-51-39)30-6-5-15-61-30/h5-20H,1-4H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nsn2)n3C)SC)c1cc(c(c(c1)OC)OC)OC)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)n(cc3SC)C)c2cc(c(c(c2)OC)OC)OC)n1C)SC	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(SC)c(n(c2c(c2c1n(C)c(c2SC)c1nccc2c1nsn2)c1cc(OC)c(c(c1)OC)OC)C)c1cnc(c2c1nsn2)c1c(SC)c2c(n1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)n(C)cc1SC	


key: InChI
value:
  InChI=1S/C74H72N10O12S6/c1-81-32-47(97-17)52-48(33-23-39(85-5)68(93-13)40(24-33)86-6)63-53(49(62(52)81)34-25-41(87-7)69(94-14)42(26-34)88-8)73(99-19)67(83(63)3)60-58-56(78-102-80-58)37(31-76-60)61-72(98-18)54-50(35-27-43(89-9)70(95-15)44(28-35)90-10)65-55(74(100-20)66(84(65)4)59-57-38(21-22-75-59)77-101-79-57)51(64(54)82(61)2)36-29-45(91-11)71(96-16)46(30-36)92-12/h21-32H,1-20H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nsn2)s3)SC)c1cc(c(c(c1)OC)OC)OC)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)scc3SC)c2cc(c(c(c2)OC)OC)OC)s1)SC	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(SC)c(sc2c(c2c1sc(c2SC)c1nccc2c1nsn2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nsn2)c1sc2c(c1SC)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C70H60N6O12S10/c1-77-35-19-29(20-36(78-2)57(35)85-9)44-48-43(89-13)28-93-62(48)45(30-21-37(79-3)58(86-10)38(22-30)80-4)49-63(44)95-70(67(49)91-15)56-54-52(74-98-76-54)33(27-72-56)61-66(90-14)50-46(31-23-39(81-5)59(87-11)40(24-31)82-6)65-51(68(92-16)69(96-65)55-53-34(17-18-71-55)73-97-75-53)47(64(50)94-61)32-25-41(83-7)60(88-12)42(26-32)84-8/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nsn2)n3C)OC)c1cc(c(c(c1)OC)OC)OC)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)n(cc3OC)C)c2cc(c(c(c2)OC)OC)OC)n1C)OC	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(OC)c(n(c2c(c2c1n(C)c(c2OC)c1nccc2c1nsn2)c1cc(OC)c(c(c1)OC)OC)C)c1cnc(c2c1nsn2)c1c(OC)c2c(n1C)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)n(C)cc1OC	


key: InChI
value:
  InChI=1S/C74H72N10O16S2/c1-81-32-47(93-13)52-48(33-23-39(85-5)68(94-14)40(24-33)86-6)63-53(49(62(52)81)34-25-41(87-7)69(95-15)42(26-34)88-8)73(99-19)67(83(63)3)60-58-56(78-102-80-58)37(31-76-60)61-72(98-18)54-50(35-27-43(89-9)70(96-16)44(28-35)90-10)65-55(74(100-20)66(84(65)4)59-57-38(21-22-75-59)77-101-79-57)51(64(54)82(61)2)36-29-45(91-11)71(97-17)46(30-36)92-12/h21-32H,1-20H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nsn2)o3)SC)c1cc(c(c(c1)OC)OC)OC)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)occ3SC)c2cc(c(c(c2)OC)OC)OC)o1)SC	


key: CAN_SMILES
value:
  COc1c(OC)cc(cc1OC)c1c2c(SC)c(oc2c(c2c1oc(c2SC)c1nccc2c1nsn2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nsn2)c1oc2c(c1SC)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(SC)co1	


key: InChI
value:
  InChI=1S/C70H60N6O16S6/c1-77-35-19-29(20-36(78-2)58(35)85-9)44-48-43(93-13)28-89-62(48)45(30-21-37(79-3)59(86-10)38(22-30)80-4)49-63(44)91-67(69(49)95-15)56-54-52(74-98-76-54)33(27-72-56)57-68(94-14)50-46(31-23-39(81-5)60(87-11)40(24-31)82-6)65-51(70(96-16)66(92-65)55-53-34(17-18-71-55)73-97-75-53)47(64(50)90-57)32-25-41(83-7)61(88-12)42(26-32)84-8/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)OC)OC)OC)c(c(c1nccc2c1nsn2)o3)OC)[C]1C=C([C](C(=C1)OC)OC)OC)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)OC)OC)OC)occ3OC)c2cc(c(c(c2)OC)OC)OC)o1)OC	


key: CAN_SMILES
value:
  COC1=C[C](C=C([C]1OC)OC)c1c2c(OC)c(oc2c(c2c1oc(c2OC)c1nccc2c1nsn2)c1cc(OC)c(c(c1)OC)OC)c1cnc(c2c1nsn2)c1oc2c(c1OC)c(c1cc(OC)c(c(c1)OC)OC)c1c(c2c2cc(OC)c(c(c2)OC)OC)c(OC)co1	


key: InChI
value:
  InChI=1S/C70H60N6O20S2/c1-77-35-19-29(20-36(78-2)58(35)86-10)44-48-43(85-9)28-93-62(48)45(30-21-37(79-3)59(87-11)38(22-30)80-4)49-63(44)95-70(67(49)91-15)56-54-52(74-98-76-54)33(27-72-56)57-66(90-14)50-46(31-23-39(81-5)60(88-12)40(24-31)82-6)65-51(68(92-16)69(96-65)55-53-34(17-18-71-55)73-97-75-53)47(64(50)94-57)32-25-41(83-7)61(89-13)42(26-32)84-8/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1nsn2)o3)F)c1cc(c(c(c1)SC)SC)SC)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)occ3F)c2cc(c(c(c2)SC)SC)SC)o1)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(F)c(oc2c(c2c1oc(c2F)c1nccc2c1nsn2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nsn2)c1oc2c(c1F)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(F)co1	


key: InChI
value:
  InChI=1S/C66H48F4N6O4S14/c1-81-32-15-25(16-33(82-2)63(32)89-9)40-44-30(67)24-77-57(44)41(26-17-34(83-3)64(90-10)35(18-26)84-4)45-49(69)62(79-58(40)45)55-53-51(74-94-76-53)29(23-72-55)56-48(68)46-42(27-19-36(85-5)65(91-11)37(20-27)86-6)60-47(50(70)61(80-60)54-52-31(13-14-71-54)73-93-75-52)43(59(46)78-56)28-21-38(87-7)66(92-12)39(22-28)88-8/h13-24H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1nsn2)n3C)F)c1cc(c(c(c1)SC)SC)SC)F)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)n(cc3F)C)c2cc(c(c(c2)SC)SC)SC)n1C)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(F)c(n(c2c(c2c1n(C)c(c2F)c1nccc2c1nsn2)c1cc(SC)c(c(c1)SC)SC)C)c1cnc(c2c1nsn2)c1c(F)c2c(n1C)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)n(C)cc1F	


key: InChI
value:
  InChI=1S/C70H60F4N10S14/c1-81-28-34(71)48-44(29-19-36(85-5)67(93-13)37(20-29)86-6)62-49(45(61(48)81)30-21-38(87-7)68(94-14)39(22-30)88-8)53(73)66(83(62)3)59-57-55(78-98-80-57)33(27-76-59)60-52(72)50-46(31-23-40(89-9)69(95-15)41(24-31)90-10)64-51(54(74)65(84(64)4)58-56-35(17-18-75-58)77-97-79-56)47(63(50)82(60)2)32-25-42(91-11)70(96-16)43(26-32)92-12/h17-28H,1-16H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1cc2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)sc(c3)c2cnc(c3c2nsn3)c2cc3c(c(c4c(c3c3cc(c(c(c3)SC)SC)SC)scc4)c3cc(c(c(c3)SC)SC)SC)s2)c2cc(c(c(c2)SC)SC)SC)s1	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2cc(sc2c(c2c1sc(c2)c1nccc2c1nsn2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nsn2)c1cc2c(s1)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)scc1	


key: InChI
value:
  InChI=1S/C66H52N6S18/c1-73-42-17-29(18-43(74-2)63(42)81-9)50-33-14-16-85-59(33)51(30-19-44(75-3)64(82-10)45(20-30)76-4)35-26-41(88-60(35)50)57-58-54(70-90-72-58)37(28-68-57)39-25-34-52(31-21-46(77-5)65(83-11)47(22-31)78-6)62-36(27-40(87-62)56-55-38(13-15-67-56)69-89-71-55)53(61(34)86-39)32-23-48(79-7)66(84-12)49(24-32)80-8/h13-28H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1nsn2)n3C)OC)c1cc(c(c(c1)SC)SC)SC)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)n(cc3OC)C)c2cc(c(c(c2)SC)SC)SC)n1C)OC	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(OC)c(n(c2c(c2c1n(C)c(c2OC)c1nccc2c1nsn2)c1cc(SC)c(c(c1)SC)SC)C)c1cnc(c2c1nsn2)c1c(OC)c2c(n1C)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)n(C)cc1OC	


key: InChI
value:
  InChI=1S/C74H72N10O4S14/c1-81-32-39(85-5)52-48(33-23-40(89-9)71(97-17)41(24-33)90-10)63-53(49(62(52)81)34-25-42(91-11)72(98-18)43(26-34)92-12)69(87-7)67(83(63)3)60-58-56(78-102-80-58)37(31-76-60)61-68(86-6)54-50(35-27-44(93-13)73(99-19)45(28-35)94-14)65-55(70(88-8)66(84(65)4)59-57-38(21-22-75-59)77-101-79-57)51(64(54)82(61)2)36-29-46(95-15)74(100-20)47(30-36)96-16/h21-32H,1-20H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2s1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1nsn2)s3)SC)c1cc(c(c(c1)SC)SC)SC)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)scc3SC)c2cc(c(c(c2)SC)SC)SC)s1)SC	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(SC)c(sc2c(c2c1sc(c2SC)c1nccc2c1nsn2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nsn2)c1sc2c(c1SC)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(SC)cs1	


key: InChI
value:
  InChI=1S/C70H60N6S22/c1-77-35-19-29(20-36(78-2)58(35)86-10)44-48-43(85-9)28-93-62(48)45(30-21-37(79-3)59(87-11)38(22-30)80-4)49-63(44)95-70(67(49)91-15)56-54-52(74-98-76-54)33(27-72-56)57-66(90-14)50-46(31-23-39(81-5)60(88-12)40(24-31)82-6)65-51(68(92-16)69(96-65)55-53-34(17-18-71-55)73-97-75-53)47(64(50)94-57)32-25-41(83-7)61(89-13)42(26-32)84-8/h17-28H,1-16H3


key: SMILES
value:
  c1(nccc2c1nsn2)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)sc(c3F)c2cnc(c3c2nsn3)c2c(c3c(c(c4c(c3c3cc(c(c(c3)SC)SC)SC)scc4F)c3cc(c(c(c3)SC)SC)SC)s2)F)c2cc(c(c(c2)SC)SC)SC)s1)F	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(F)c(sc2c(c2c1sc(c2F)c1nccc2c1nsn2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nsn2)c1sc2c(c1F)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(F)cs1	


key: InChI
value:
  InChI=1S/C66H48F4N6S18/c1-77-32-15-25(16-33(78-2)57(32)85-9)40-44-30(67)24-89-61(44)41(26-17-34(79-3)58(86-10)35(18-26)80-4)45-49(69)66(91-62(40)45)55-53-51(74-94-76-53)29(23-72-55)56-48(68)46-42(27-19-36(81-5)59(87-11)37(20-27)82-6)64-47(50(70)65(92-64)54-52-31(13-14-71-54)73-93-75-52)43(63(46)90-56)28-21-38(83-7)60(88-12)39(22-28)84-8/h13-24H,1-12H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1nsn2)o3)SC)c1cc(c(c(c1)SC)SC)SC)SC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)occ3SC)c2cc(c(c(c2)SC)SC)SC)o1)SC	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(SC)c(oc2c(c2c1oc(c2SC)c1nccc2c1nsn2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nsn2)c1oc2c(c1SC)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(SC)co1	


key: InChI
value:
  InChI=1S/C70H60N6O4S18/c1-81-35-19-29(20-36(82-2)64(35)90-10)44-48-43(89-9)28-77-58(48)45(30-21-37(83-3)65(91-11)38(22-30)84-4)49-59(44)79-63(69(49)95-15)56-54-52(74-98-76-54)33(27-72-56)57-68(94-14)50-46(31-23-39(85-5)66(92-12)40(24-31)86-6)61-51(70(96-16)62(80-61)55-53-34(17-18-71-55)73-97-75-53)47(60(50)78-57)32-25-41(87-7)67(93-13)42(26-32)88-8/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1nsn2)o3)C)c1cc(c(c(c1)SC)SC)SC)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)occ3C)c2cc(c(c(c2)SC)SC)SC)o1)C	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(C)c(oc2c(c2c1oc(c2C)c1nccc2c1nsn2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nsn2)c1oc2c(c1C)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(C)co1	


key: InChI
value:
  InChI=1S/C70H60N6O4S14/c1-29-28-77-63-47(29)51(33-19-39(81-5)67(89-13)40(20-33)82-6)64-49(52(63)34-21-41(83-7)68(90-14)42(22-34)84-8)31(3)62(80-64)59-57-55(74-94-76-57)37(27-72-59)60-30(2)48-53(35-23-43(85-9)69(91-15)44(24-35)86-10)66-50(32(4)61(79-66)58-56-38(17-18-71-58)73-93-75-56)54(65(48)78-60)36-25-45(87-11)70(92-16)46(26-36)88-12/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2o1)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1nsn2)o3)OC)c1cc(c(c(c1)SC)SC)SC)OC)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)occ3OC)c2cc(c(c(c2)SC)SC)SC)o1)OC	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(OC)c(oc2c(c2c1oc(c2OC)c1nccc2c1nsn2)c1cc(SC)c(c(c1)SC)SC)c1cnc(c2c1nsn2)c1oc2c(c1OC)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)c(OC)co1	


key: InChI
value:
  InChI=1S/C70H60N6O8S14/c1-77-35-28-81-58-45(30-21-38(87-7)68(94-14)39(22-30)88-8)49-59(44(48(35)58)29-19-36(85-5)67(93-13)37(20-29)86-6)83-66(63(49)79-3)56-54-52(74-98-76-54)33(27-72-56)57-62(78-2)50-46(31-23-40(89-9)69(95-15)41(24-31)90-10)61-51(64(80-4)65(84-61)55-53-34(17-18-71-55)73-97-75-53)47(60(50)82-57)32-25-42(91-11)70(96-16)43(26-32)92-12/h17-28H,1-16H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1c(c2c(c3c(c(c2n1C)c1cc(c(c(c1)SC)SC)SC)c(c(c1nccc2c1nsn2)n3C)C)c1cc(c(c(c1)SC)SC)SC)C)c1c(c2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)n(cc3C)C)c2cc(c(c(c2)SC)SC)SC)n1C)C	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2c(C)c(n(c2c(c2c1n(C)c(c2C)c1nccc2c1nsn2)c1cc(SC)c(c(c1)SC)SC)C)c1cnc(c2c1nsn2)c1c(C)c2c(n1C)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)n(C)cc1C	


key: InChI
value:
  InChI=1S/C74H72N10S14/c1-33-32-81(5)67-51(33)55(37-23-43(85-9)71(93-17)44(24-37)86-10)68-53(56(67)38-25-45(87-11)72(94-18)46(26-38)88-12)35(3)66(84(68)8)63-61-59(78-98-80-61)41(31-76-63)64-34(2)52-57(39-27-47(89-13)73(95-19)48(28-39)90-14)70-54(36(4)65(83(70)7)62-60-42(21-22-75-62)77-97-79-60)58(69(52)82(64)6)40-29-49(91-15)74(96-20)50(30-40)92-16/h21-32H,1-20H3


key: SMILES
value:
  c1(ncc(c2c1nsn2)c1cc2c(c3c(c(c2n1C)c1cc(c(c(c1)SC)SC)SC)cc(c1nccc2c1nsn2)n3C)c1cc(c(c(c1)SC)SC)SC)c1cc2c(c(c3c(c2c2cc(c(c(c2)SC)SC)SC)n(cc3)C)c2cc(c(c(c2)SC)SC)SC)n1C	


key: CAN_SMILES
value:
  CSc1c(SC)cc(cc1SC)c1c2cc(n(c2c(c2c1n(C)c(c2)c1nccc2c1nsn2)c1cc(SC)c(c(c1)SC)SC)C)c1cnc(c2c1nsn2)c1cc2c(n1C)c(c1cc(SC)c(c(c1)SC)SC)c1c(c2c2cc(SC)c(c(c2)SC)SC)n(C)cc1	


key: InChI
value:
  InChI=1S/C70H64N10S14/c1-77-20-18-37-54(33-21-46(81-5)67(89-13)47(22-33)82-6)64-39(55(63(37)77)34-23-48(83-7)68(90-14)49(24-34)84-8)30-45(80(64)4)61-62-58(74-94-76-62)41(32-72-61)43-29-38-56(35-25-50(85-9)69(91-15)51(26-35)86-10)66-40(31-44(79(66)3)60-59-42(17-19-71-60)73-93-75-59)57(65(38)78(43)2)36-27-52(87-11)70(92-16)53(28-36)88-12/h17-32H,1-16H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(s3)c3c(ccs3)SC)SC)n1C)c1ccc(n1C)c1sc(c3sc(c4ccc(c5c6c(c(cn5)c5cccn5C)[N]N([N]6)C)n4C)cc3SC)c(c1)SC)[N]N([N]2)C	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc(cc1SC)c1ccc(n1C)c1cnc(c2c1[N]N([N]2)C)c1ccc(n1C)c1cc(c(s1)c1sccc1SC)SC)c1ccc(n1C)c1ncc(c2c1[N]N([N]2)C)c1cccn1C	


key: InChI
value:
  InChI=1S/C52H46N12S8/c1-59-20-11-12-29(59)27-25-53-45(47-43(27)55-63(5)57-47)34-18-16-33(62(34)4)39-24-42(68-10)52(72-39)51-41(67-9)23-37(71-51)31-14-13-30(60(31)2)28-26-54-46(48-44(28)56-64(6)58-48)35-17-15-32(61(35)3)38-22-40(66-8)50(70-38)49-36(65-7)19-21-69-49/h11-26H,1-10H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3cc(c(s3)c3c(cc(s3)c3ccc(c4c5c(c(c6ccc(c7cc(c(s7)c7c(ccs7)C)C)o6)nc4)non5)o3)C)C)o1)c1ccco1)non2	


key: CAN_SMILES
value:
  Cc1cc(sc1c1sc(cc1C)c1ccc(o1)c1ncc(c2c1non2)c1ccco1)c1ccc(o1)c1cnc(c2c1non2)c1ccc(o1)c1cc(c(s1)c1sccc1C)C	


key: InChI
value:
  InChI=1S/C46H28N6O6S4/c1-21-13-15-59-43(21)44-22(2)16-35(60-44)30-9-11-33(55-30)40-42-38(50-58-52-42)26(20-48-40)28-7-8-29(54-28)34-17-23(3)45(61-34)46-24(4)18-36(62-46)31-10-12-32(56-31)39-41-37(49-57-51-41)25(19-47-39)27-6-5-14-53-27/h5-20H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(c3ccc(s3)c3ccc(s3)c3ccc(c4c5c(c(c6ccc(c7ccc(s7)c7cccs7)n6C)nc4)nn(n5)C)n3C)n1C)c1cccn1C)[N]N([N]2)C	


key: CAN_SMILES
value:
  CN1[N]c2c([N]1)c(cnc2c1ccc(n1C)c1ccc(s1)c1ccc(s1)c1ccc(n1C)c1cnc(c2c1nn(n2)C)c1ccc(n1C)c1ccc(s1)c1cccs1)c1cccn1C	


key: InChI
value:
  InChI=1S/C48H38N12S4/c1-55-23-7-9-29(55)27-25-49-45(47-43(27)51-59(5)53-47)34-16-14-33(58(34)4)38-19-22-42(64-38)41-21-18-36(63-41)31-12-11-30(56(31)2)28-26-50-46(48-44(28)52-60(6)54-48)35-15-13-32(57(35)3)37-17-20-40(62-37)39-10-8-24-61-39/h7-26H,1-6H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(s1)c1cc(c(c3c(cc(o3)c3ccc(c4c5c(c(c6ccc(s6)c6cc(c(c7c(cco7)C)o6)C)nc4)nsn5)s3)C)o1)C)c1cccs1)nsn2	


key: CAN_SMILES
value:
  Cc1cc(oc1c1oc(cc1C)c1ccc(s1)c1ncc(c2c1nsn2)c1cccs1)c1ccc(s1)c1cnc(c2c1nsn2)c1ccc(s1)c1cc(c(o1)c1occc1C)C	


key: InChI
value:
  InChI=1S/C46H28N6O4S6/c1-21-13-14-53-43(21)44-22(2)16-28(54-44)33-9-11-36(59-33)40-42-38(50-62-52-42)26(20-48-40)31-7-8-32(58-31)27-17-23(3)45(55-27)46-24(4)18-29(56-46)34-10-12-35(60-34)39-41-37(49-61-51-41)25(19-47-39)30-6-5-15-57-30/h5-20H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(c4ccco4)o3)n1C)OC)OC)c1c(c(c(n1C)c1ccc(c3ccc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)OC)OC)nn(n6)C)n4C)OC)OC)o3)o1)OC)OC)nn(n2)C	


key: CAN_SMILES
value:
  COc1c(c2ccc(o2)c2ccc(o2)c2c(OC)c(c(n2C)c2ncc(c3c2nn(n3)C)c2n(C)cc(c2OC)OC)OC)n(c(c1OC)c1cnc(c2c1nn(n2)C)c1c(OC)c(c(n1C)c1ccc(o1)c1ccco1)OC)C	


key: InChI
value:
  InChI=1S/C56H54N12O12/c1-63-26-36(69-7)50(70-8)43(63)27-24-57-41(39-37(27)59-67(5)61-39)48-55(75-13)54(74-12)47(66(48)4)35-22-19-32(80-35)31-18-21-33(79-31)45-52(72-10)51(71-9)44(64(45)2)28-25-58-42(40-38(28)60-68(6)62-40)49-56(76-14)53(73-11)46(65(49)3)34-20-17-30(78-34)29-16-15-23-77-29/h15-26H,1-14H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(c4ccco4)o3)o1)C)C)c1c(c(c(o1)c1ccc(c3ccc(c4c(c(c(c5c6c(c(cn5)c5c(c(co5)C)C)[N]O[N]6)o4)C)C)o3)o1)C)C)non2	


key: CAN_SMILES
value:
  Cc1c(oc(c1C)c1cnc(c2c1non2)c1oc(c(c1C)C)c1ccc(o1)c1ccco1)c1ccc(o1)c1ccc(o1)c1oc(c(c1C)C)c1ncc(c2c1[N]O[N]2)c1occ(c1C)C	


key: InChI
value:
  InChI=1S/C50H36N6O10/c1-21-20-58-44(22(21)2)29-18-51-42(40-38(29)53-65-55-40)49-28(8)26(6)48(64-49)37-16-13-34(61-37)33-12-15-35(60-33)46-24(4)23(3)45(62-46)30-19-52-43(41-39(30)54-66-56-41)50-27(7)25(5)47(63-50)36-14-11-32(59-36)31-10-9-17-57-31/h9-20H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(s3)c3ccc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7ccc(s7)c7cccs7)o6)C)C)nc4)non5)o3)C)C)o1)C)C)c1c(c(co1)C)C)[N]O[N]2	


key: CAN_SMILES
value:
  Cc1c(oc(c1C)c1cnc(c2c1non2)c1oc(c(c1C)C)c1ccc(s1)c1cccs1)c1ccc(s1)c1ccc(s1)c1oc(c(c1C)C)c1ncc(c2c1[N]O[N]2)c1occ(c1C)C	


key: InChI
value:
  InChI=1S/C50H36N6O6S4/c1-21-20-57-44(22(21)2)29-18-51-42(40-38(29)53-61-55-40)49-28(8)26(6)48(60-49)37-16-13-34(66-37)33-12-15-35(65-33)46-24(4)23(3)45(58-46)30-19-52-43(41-39(30)54-62-56-41)50-27(7)25(5)47(59-50)36-14-11-32(64-36)31-10-9-17-63-31/h9-20H,1-8H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)OC)OC)o1)C)C)c1c(c(c(o1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(co5)C)C)non6)o4)C)C)cc3OC)c(c1)OC)C)C)non2	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1OC)c1oc(c(c1C)C)c1ncc(c2c1non2)c1occ(c1C)C)c1oc(c(c1C)C)c1cnc(c2c1non2)c1oc(c(c1C)C)c1cc(c(s1)c1sccc1OC)OC	


key: InChI
value:
  InChI=1S/C54H44N6O10S4/c1-21-20-65-44(22(21)2)29-18-55-42(40-38(29)57-69-59-40)49-28(8)26(6)48(68-49)37-17-34(64-12)54(74-37)53-33(63-11)16-35(73-53)46-24(4)23(3)45(66-46)30-19-56-43(41-39(30)58-70-60-41)50-27(7)25(5)47(67-50)36-15-32(62-10)52(72-36)51-31(61-9)13-14-71-51/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(ccn3C)C)n1C)C)C)C)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)C)C)[n]s[n]6)s4)C)C)n3C)C)n1C)C)C)C)[n]s[n]2	


key: CAN_SMILES
value:
  Cc1c(sc(c1C)c1cnc(c2c1[n]s[n]2)c1sc(c(c1C)C)c1cc(c(n1C)c1c(C)ccn1C)C)c1cc(c(n1C)c1c(C)cc(n1C)c1sc(c(c1C)C)c1ncc(c2c1[n]s[n]2)c1scc(c1C)C)C	


key: InChI
value:
  InChI=1S/C58H56N10S6/c1-25-17-18-65(13)48(25)49-26(2)19-40(66(49)14)55-33(9)35(11)58(71-55)47-45-43(62-74-64-45)38(23-60-47)53-31(7)32(8)54(70-53)39-20-27(3)50(67(39)15)51-28(4)21-41(68(51)16)56-34(10)36(12)57(72-56)46-44-42(61-73-63-44)37(22-59-46)52-30(6)29(5)24-69-52/h17-24H,1-16H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(cc(o3)c3c(c(c(c4c5c(c(c6c(c(c(s6)c6cc(c(c7c(cco7)C)o6)C)C)C)nc4)[n]s[n]5)s3)C)C)C)o1)C)C)C)c1c(c(cs1)C)C)nsn2	


key: CAN_SMILES
value:
  Cc1c(sc(c1C)c1cnc(c2c1[n]s[n]2)c1sc(c(c1C)C)c1cc(c(o1)c1occc1C)C)c1cc(c(o1)c1oc(cc1C)c1sc(c(c1C)C)c1ncc(c2c1nsn2)c1scc(c1C)C)C	


key: InChI
value:
  InChI=1S/C54H44N6O4S6/c1-21-13-14-61-44(21)45-22(2)15-36(62-45)51-29(9)31(11)54(67-51)43-41-39(58-70-60-41)34(19-56-43)49-27(7)28(8)50(66-49)35-16-23(3)46(63-35)47-24(4)17-37(64-47)52-30(10)32(12)53(68-52)42-40-38(57-69-59-40)33(18-55-42)48-26(6)25(5)20-65-48/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1ccc(s1)c1cc(c(s1)c1c(cc(s1)c1ccc(c3c4c(c(c5ccc(s5)c5cc(c(s5)c5c(ccs5)C)C)nc3)nsn4)s1)C)C)c1cccs1)nsn2	


key: CAN_SMILES
value:
  Cc1cc(sc1c1sc(cc1C)c1ccc(s1)c1ncc(c2c1nsn2)c1cccs1)c1ccc(s1)c1cnc(c2c1nsn2)c1ccc(s1)c1cc(c(s1)c1sccc1C)C	


key: InChI
value:
  InChI=1S/C46H28N6S10/c1-21-13-15-54-43(21)44-22(2)16-35(58-44)30-9-11-33(56-30)40-42-38(50-62-52-42)26(20-48-40)28-7-8-29(55-28)34-17-23(3)45(59-34)46-24(4)18-36(60-46)31-10-12-32(57-31)39-41-37(49-61-51-41)25(19-47-39)27-6-5-14-53-27/h5-20H,1-4H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(s1)c1c(ccs1)C)C)C)C)c1c(c(c(s1)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)C)C)[n]s[n]6)s4)C)C)cc3C)c(c1)C)C)C)nsn2	


key: CAN_SMILES
value:
  Cc1c(sc(c1C)c1cnc(c2c1nsn2)c1sc(c(c1C)C)c1cc(c(s1)c1sccc1C)C)c1cc(c(s1)c1sc(cc1C)c1sc(c(c1C)C)c1ncc(c2c1[n]s[n]2)c1scc(c1C)C)C	


key: InChI
value:
  InChI=1S/C54H44N6S10/c1-21-13-14-61-44(21)45-22(2)15-36(63-45)51-29(9)31(11)54(67-51)43-41-39(58-70-60-41)34(19-56-43)49-27(7)28(8)50(66-49)35-16-23(3)46(64-35)47-24(4)17-37(65-47)52-30(10)32(12)53(68-52)42-40-38(57-69-59-40)33(18-55-42)48-26(6)25(5)20-62-48/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(ccn3C)F)n1C)F)C)C)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)C)C)[n]s[n]6)s4)C)C)n3C)F)n1C)F)C)C)[n]s[n]2	


key: CAN_SMILES
value:
  Fc1cc(n(c1c1c(F)cc(n1C)c1sc(c(c1C)C)c1ncc(c2c1[n]s[n]2)c1scc(c1C)C)C)c1sc(c(c1C)C)c1cnc(c2c1[n]s[n]2)c1sc(c(c1C)C)c1cc(c(n1C)c1c(F)ccn1C)F	


key: InChI
value:
  InChI=1S/C54H44F4N10S6/c1-21-20-69-48(22(21)2)29-18-59-42(40-38(29)61-73-63-40)53-28(8)26(6)52(72-53)37-17-34(58)47(68(37)12)46-33(57)16-35(67(46)11)50-24(4)23(3)49(70-50)30-19-60-43(41-39(30)62-74-64-41)54-27(7)25(5)51(71-54)36-15-32(56)45(66(36)10)44-31(55)13-14-65(44)9/h13-20H,1-12H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(ccn3C)OC)n1C)OC)C)C)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)C)C)nsn6)s4)C)C)n3C)OC)n1C)OC)C)C)nsn2	


key: CAN_SMILES
value:
  COc1cc(n(c1c1c(OC)cc(n1C)c1sc(c(c1C)C)c1ncc(c2c1nsn2)c1scc(c1C)C)C)c1sc(c(c1C)C)c1cnc(c2c1nsn2)c1sc(c(c1C)C)c1cc(c(n1C)c1n(C)ccc1OC)OC	


key: InChI
value:
  InChI=1S/C58H56N10O4S6/c1-25-24-73-52(26(25)2)33-22-59-46(44-42(33)61-77-63-44)57-32(8)30(6)56(76-57)37-21-41(72-16)51(68(37)12)50-40(71-15)20-35(67(50)11)54-28(4)27(3)53(74-54)34-23-60-47(45-43(34)62-78-64-45)58-31(7)29(5)55(75-58)36-19-39(70-14)49(66(36)10)48-38(69-13)17-18-65(48)9/h17-24H,1-16H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(s3)c3ccc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7ccc(s7)c7cccs7)n6C)F)F)nc4)nn(n5)C)n3C)F)F)n1C)F)F)c1c(c(cn1C)F)F)[N]N([N]2)C	


key: CAN_SMILES
value:
  CN1[N]c2c([N]1)c(cnc2c1n(C)c(c(c1F)F)c1ccc(s1)c1ccc(s1)c1n(C)c(c(c1F)F)c1cnc(c2c1nn(n2)C)c1n(C)c(c(c1F)F)c1ccc(s1)c1cccs1)c1n(C)cc(c1F)F	


key: InChI
value:
  InChI=1S/C48H30F8N12S4/c1-63-18-21(49)29(50)42(63)19-16-57-40(38-36(19)59-67(5)61-38)47-35(56)33(54)46(66(47)4)28-14-11-25(72-28)24-10-13-26(71-24)44-31(52)30(51)43(64(44)2)20-17-58-41(39-37(20)60-68(6)62-39)48-34(55)32(53)45(65(48)3)27-12-9-23(70-27)22-8-7-15-69-22/h7-18H,1-6H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(ccs3)OC)OC)n1C)F)F)c1c(c(c(n1C)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)F)F)nn(n6)C)n4C)F)F)cc3OC)c(c1)OC)F)F)nn(n2)C	


key: CAN_SMILES
value:
  COc1cc(sc1c1sc(cc1OC)c1n(C)c(c(c1F)F)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1F)F)c1n(C)c(c(c1F)F)c1cnc(c2c1nn(n2)C)c1n(C)c(c(c1F)F)c1cc(c(s1)c1sccc1OC)OC	


key: InChI
value:
  InChI=1S/C52H38F8N12O4S4/c1-67-18-21(53)29(54)42(67)19-16-61-40(38-36(19)63-71(5)65-38)47-35(60)33(58)46(70(47)4)28-15-25(76-10)52(80-28)51-24(75-9)14-26(79-51)44-31(56)30(55)43(68(44)2)20-17-62-41(39-37(20)64-72(6)66-39)48-34(59)32(57)45(69(48)3)27-13-23(74-8)50(78-27)49-22(73-7)11-12-77-49/h11-18H,1-10H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3cc(c(s3)c3c(cc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7cc(c(s7)c7c(ccs7)SC)SC)n6C)F)F)nc4)nn(n5)C)n3C)F)F)SC)SC)n1C)F)F)c1c(c(cn1C)F)F)nn(n2)C	


key: CAN_SMILES
value:
  CSc1cc(sc1c1sc(cc1SC)c1n(C)c(c(c1F)F)c1ncc(c2c1nn(n2)C)c1n(C)cc(c1F)F)c1n(C)c(c(c1F)F)c1cnc(c2c1nn(n2)C)c1n(C)c(c(c1F)F)c1cc(c(s1)c1sccc1SC)SC	


key: InChI
value:
  InChI=1S/C52H38F8N12S8/c1-67-18-21(53)29(54)42(67)19-16-61-40(38-36(19)63-71(5)65-38)47-35(60)33(58)46(70(47)4)25-15-28(76-10)52(80-25)51-27(75-9)14-23(79-51)44-31(56)30(55)43(68(44)2)20-17-62-41(39-37(20)64-72(6)66-39)48-34(59)32(57)45(69(48)3)24-13-26(74-8)50(78-24)49-22(73-7)11-12-77-49/h11-18H,1-10H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(s3)c3cccs3)n1C)SC)SC)c1c(c(c(n1C)c1sc(c3sc(c4c(c(c(c5c6c(c(cn5)c5c(c(cn5C)SC)SC)[N]N([N]6)C)n4C)SC)SC)cc3)cc1)SC)SC)nn(n2)C	


key: CAN_SMILES
value:
  CSc1c(c2ccc(s2)c2ccc(s2)c2c(SC)c(c(n2C)c2ncc(c3c2[N]N([N]3)C)c2n(C)cc(c2SC)SC)SC)n(c(c1SC)c1cnc(c2c1nn(n2)C)c1c(SC)c(c(n1C)c1ccc(s1)c1cccs1)SC)C	


key: InChI
value:
  InChI=1S/C56H54N12S12/c1-63-26-36(69-7)50(70-8)43(63)27-24-57-41(39-37(27)59-67(5)61-39)48-55(75-13)54(74-12)47(66(48)4)35-22-19-32(80-35)31-18-21-33(79-31)45-52(72-10)51(71-9)44(64(45)2)28-25-58-42(40-38(28)60-68(6)62-40)49-56(76-14)53(73-11)46(65(49)3)34-20-17-30(78-34)29-16-15-23-77-29/h15-26H,1-14H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(s1)c1cc(c(c3c(ccn3C)SC)n1C)SC)OC)OC)c1c(c(c(s1)c1cc(c(c3c(cc(c4c(c(c(c5c6c(c(cn5)c5c(c(cs5)OC)OC)[n]s[n]6)s4)OC)OC)n3C)SC)n1C)SC)OC)OC)nsn2	


key: CAN_SMILES
value:
  COc1c(OC)c(sc1c1cc(c(n1C)c1c(SC)cc(n1C)c1sc(c(c1OC)OC)c1ncc(c2c1[n]s[n]2)c1scc(c1OC)OC)SC)c1cnc(c2c1nsn2)c1sc(c(c1OC)OC)c1cc(c(n1C)c1c(SC)ccn1C)SC	


key: InChI
value:
  InChI=1S/C58H56N10O8S10/c1-65-18-17-31(77-13)41(65)42-32(78-14)19-28(66(42)2)55-48(73-9)50(75-11)58(83-55)40-38-36(62-86-64-38)26(23-60-40)53-46(71-7)47(72-8)54(82-53)27-20-33(79-15)43(67(27)3)44-34(80-16)21-29(68(44)4)56-49(74-10)51(76-12)57(84-56)39-37-35(61-85-63-37)25(22-59-39)52-45(70-6)30(69-5)24-81-52/h17-24H,1-16H3


key: SMILES
value:
  c12c(c(cnc1c1c(c(c(c3ccc(s3)c3ccc(s3)c3c(c(c(c4c5c(c(c6c(c(c(c7ccc(s7)c7cccs7)o6)SC)SC)nc4)non5)o3)SC)SC)o1)SC)SC)c1c(c(co1)SC)SC)non2	


key: CAN_SMILES
value:
  CSc1c(oc(c1SC)c1cnc(c2c1non2)c1oc(c(c1SC)SC)c1ccc(s1)c1cccs1)c1ccc(s1)c1ccc(s1)c1oc(c(c1SC)SC)c1ncc(c2c1non2)c1occ(c1SC)SC	


