EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CN(C(=O)N(C1=O)CCCCC(=O)OC)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H53N3O10SSi2/c1-20-17-33(27(36)32(25(20)35)16-14-13-15-23(34)39-8)26-24(42-46(11,12)29(5,6)7)30(21(31)19-44(37,38)43-30)22(41-26)18-40-45(9,10)28(2,3)4/h17,19,22,24,26H,13-16,18,31H2,1-12H3/t22-,24+,26-,30?/m1/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@@H]([C@H](O3)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=C(C=C(C=C6)Cl)Cl
InChI: InChI=1S/C26H14Cl3NO5/c27-13-7-5-12(6-8-13)21-19-20(25(34)30(24(19)33)18-10-9-14(28)11-17(18)29)26(35-21)22(31)15-3-1-2-4-16(15)23(26)32/h1-11,19-21H/t19-,20-,21+/m0/s1
SMILES: C1[C@H]([C@H](O[C@H](O1)C2=CC=CC=C2OCCOC3=C(C=CC(=C3)C(=O)O)OCCN4C=CN=C4)C5=CC=CC=C5O)C/C=C\CCC(=O)O
InChI: InChI=1S/C36H38N2O10/c39-29-11-6-4-9-27(29)34-26(8-2-1-3-13-33(40)41)23-47-36(48-34)28-10-5-7-12-30(28)45-20-21-46-32-22-25(35(42)43)14-15-31(32)44-19-18-38-17-16-37-24-38/h1-2,4-7,9-12,14-17,22,24,26,34,36,39H,3,8,13,18-21,23H2,(H,40,41)(H,42,43)/b2-1-/t26-,34+,36+/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]2[C@@]3([C@H](CCC2(C)C)OC(=O)O[C@]34[C@@]1(O[C@@](CC4=O)(C)C=O)C)C)O
InChI: InChI=1S/C22H30O9/c1-11(24)28-16-14(26)15-18(2,3)8-7-13-20(15,5)22(30-17(27)29-13)12(25)9-19(4,10-23)31-21(16,22)6/h10,13-16,26H,7-9H2,1-6H3/t13-,14-,15-,16-,19+,20-,21+,22-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)C5=CC=CC=C5)(C4(C)C)O)OC(=O)CC(=O)C6=CC=CC=C6)C)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C46H58O13Si/c1-10-60(11-2,12-3)59-34-24-35-45(26-54-35,58-29(6)48)39-41(57-42(52)31-21-17-14-18-22-31)46(53)25-33(56-36(50)23-32(49)30-19-15-13-16-20-30)27(4)37(43(46,7)8)38(55-28(5)47)40(51)44(34,39)9/h13-22,33-35,38-39,41,53H,10-12,23-26H2,1-9H3/t33-,34-,35+,38+,39-,41-,44+,45-,46+/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)[C@@]3([C@@]2(OC4=C3C=CC(=C4)N)O)O
InChI: InChI=1S/C15H11NO4/c16-8-5-6-11-12(7-8)20-15(19)10-4-2-1-3-9(10)13(17)14(11,15)18/h1-7,18-19H,16H2/t14-,15+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](C=C([C@H]2O1)COCC3=CC=CC=C3)N4C=CC=NC4=O)C
InChI: InChI=1S/C20H22N2O4/c1-20(2)25-17-15(13-24-12-14-7-4-3-5-8-14)11-16(18(17)26-20)22-10-6-9-21-19(22)23/h3-11,16-18H,12-13H2,1-2H3/t16-,17-,18+/m1/s1
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2[C@@H]([C@H](C4=CC(=O)C=C[C@]34C)F)Cl)O)C)O
InChI: InChI=1S/C23H28ClFO6/c1-11(26)31-10-16(29)23(30)7-5-13-17-18(15(28)9-22(13,23)3)21(2)6-4-12(27)8-14(21)20(25)19(17)24/h4,6,8,13,15,17-20,28,30H,5,7,9-10H2,1-3H3/t13-,15-,17-,18-,19-,20-,21-,22-,23-/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H](C(O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O
InChI: InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6+,8-,9+,10+,11+,12?,13?/m0/s1
SMILES: CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O
InChI: InChI=1S/C23H27NO6S/c1-3-29-15-11-9-14(10-12-15)18-13-31-21(19(18)23(28)30-4-2)24-20(25)16-7-5-6-8-17(16)22(26)27/h9-13,16-17H,3-8H2,1-2H3,(H,24,25)(H,26,27)/t16-,17+/m1/s1
SMILES: C1CO[C@H]2[C@@H]1CC(C2)OC(=O)NC(CC3=CC=CC=C3)[C@@H](CN(CC4CNC(=O)NC4)C5C6=C(C=CC(=C6)CO)NC5=O)O
InChI: InChI=1S/C32H41N5O7/c38-18-20-6-7-25-24(10-20)29(30(40)35-25)37(16-21-14-33-31(41)34-15-21)17-27(39)26(11-19-4-2-1-3-5-19)36-32(42)44-23-12-22-8-9-43-28(22)13-23/h1-7,10,21-23,26-29,38-39H,8-9,11-18H2,(H,35,40)(H,36,42)(H2,33,34,41)/t22-,23?,26?,27+,28+,29?/m0/s1
SMILES: COC1=CC=C(C=C1)O[C@@H]2[C@@H](N(C2=O)C3=CC=CC=C3)[C@H]([C@@H]4CCCC4=O)O
InChI: InChI=1S/C22H23NO5/c1-27-15-10-12-16(13-11-15)28-21-19(20(25)17-8-5-9-18(17)24)23(22(21)26)14-6-3-2-4-7-14/h2-4,6-7,10-13,17,19-21,25H,5,8-9H2,1H3/t17-,19+,20+,21-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C(=C2)OC(=O)C)C(=O)C(=CO3)C4=CC(=C(C=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C35H34O18/c1-15(36)44-14-29-32(49-19(5)40)33(50-20(6)41)34(51-21(7)42)35(53-29)52-23-11-27-30(28(12-23)48-18(4)39)31(43)24(13-45-27)22-8-9-25(46-16(2)37)26(10-22)47-17(3)38/h8-13,29,32-35H,14H2,1-7H3/t29-,32-,33+,34-,35-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3F)F)C4=CC(=CC=C4)F
InChI: InChI=1S/C18H14F3N/c19-11-4-1-3-10(7-11)17-14-6-2-5-13(14)15-8-12(20)9-16(21)18(15)22-17/h1-5,7-9,13-14,17,22H,6H2/t13-,14-,17+/m0/s1
SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1CCC=C2O[Si](C)(C)C)(C)COCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C30H42O3Si/c1-29-20-19-27(32-22-25-15-10-7-11-16-25)30(2,23-31-21-24-13-8-6-9-14-24)26(29)17-12-18-28(29)33-34(3,4)5/h6-11,13-16,18,26-27H,12,17,19-23H2,1-5H3/t26-,27+,29+,30+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CF)OC(=O)CC2=CC=C(C=C2)NC(=O)C)OC(=O)CC3=CC=C(C=C3)NC(=O)C
InChI: InChI=1S/C29H34FN3O9/c1-16(34)31-21-9-5-19(6-10-21)13-24(37)41-27-23(15-30)40-29(39-4)26(33-18(3)36)28(27)42-25(38)14-20-7-11-22(12-8-20)32-17(2)35/h5-12,23,26-29H,13-15H2,1-4H3,(H,31,34)(H,32,35)(H,33,36)/t23-,26-,27-,28-,29+/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)C)[N+](=O)[O-]
InChI: InChI=1S/C20H20N2O5/c1-12-8-9-16(17(10-12)22(25)26)21-19(23)18(14-6-4-3-5-7-14)27-20(24)15-11-13(15)2/h3-10,13,15,18H,11H2,1-2H3,(H,21,23)/t13-,15+,18-/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N/N=C/2\C[C@@H]3[C@@H]2CC=C3
InChI: InChI=1S/C17H22N4O4S/c1-3-20(4-2)26(24,25)17-11-13(21(22)23)8-9-15(17)18-19-16-10-12-6-5-7-14(12)16/h5-6,8-9,11-12,14,18H,3-4,7,10H2,1-2H3/b19-16+/t12-,14+/m1/s1
SMILES: C1CCC(C1)NC2=C3C(=NC(=N2)N4C=C(N=N4)CC5=CC=CC=C5)N(C=N3)C6[C@@H]([C@@H]([C@H](O6)CO)O)O
InChI: InChI=1S/C24H28N8O4/c33-12-17-19(34)20(35)23(36-17)31-13-25-18-21(26-15-8-4-5-9-15)27-24(28-22(18)31)32-11-16(29-30-32)10-14-6-2-1-3-7-14/h1-3,6-7,11,13,15,17,19-20,23,33-35H,4-5,8-10,12H2,(H,26,27,28)/t17-,19-,20-,23?/m1/s1
SMILES: CC(C)(C)OC(=O)C1=C(CS(=O)[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)CBr
InChI: InChI=1S/C20H23BrN2O5S/c1-20(2,3)28-19(26)16-13(10-21)11-29(27)18-15(17(25)23(16)18)22-14(24)9-12-7-5-4-6-8-12/h4-8,15,18H,9-11H2,1-3H3,(H,22,24)/t15-,18-,29?/m1/s1
SMILES: CC([C@@H]1CC[C@]1(CCCC2(OCCO2)C)CCOCOC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H46O5Si/c1-19(28-29(7,8)21(2,3)4)20-10-13-23(20,14-15-25-18-24-6)12-9-11-22(5)26-16-17-27-22/h19-20H,9-18H2,1-8H3/t19?,20-,23+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@]46CC[C@@H]5CO6)C)C)O)O)O
InChI: InChI=1S/C26H42O6/c1-14-20(27)21(28)22(29)23(31-14)32-17-7-9-24(2)15(12-17)4-5-19-18(24)8-10-25(3)16-6-11-26(19,25)30-13-16/h14-23,27-29H,4-13H2,1-3H3/t14-,15+,16+,17-,18-,19+,20-,21+,22+,23-,24-,25+,26-/m0/s1
SMILES: CC1(OC[C@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OCC4=CC=CC=C4)C
InChI: InChI=1S/C19H26O6/c1-18(2)21-11-13(23-18)14-15(20-10-12-8-6-5-7-9-12)16-17(22-14)25-19(3,4)24-16/h5-9,13-17H,10-11H2,1-4H3/t13-,14+,15-,16+,17+/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)C3=C(N(C(=C3)C)CC=C)C
InChI: InChI=1S/C20H27N3O3/c1-5-10-22-14(3)11-16(15(22)4)17(24)12-23-18(25)20(21-19(23)26)9-7-6-8-13(20)2/h5,11,13H,1,6-10,12H2,2-4H3,(H,21,26)/t13-,20-/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O
InChI: InChI=1S/C16H21NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,17,18)(H,19,20)/t11-,13+,14-/m0/s1
SMILES: C1C[C@H]([C@@H](CC1)N/C=C/2\C(=O)C(=C3C(=C2)C=CC=C3)C4=CC=CC5=CC=CC=C45)N/C=C/6\C(=O)C(=C7C(=C6)C=CC=C7)C8=CC=CC9=CC=CC=C89.[N]=O.Cl[Ru]
InChI: InChI=1S/C48H38N2O2.ClH.NO.Ru/c51-47-35(27-33-15-3-7-21-39(33)45(47)41-23-11-17-31-13-1-5-19-37(31)41)29-49-43-25-9-10-26-44(43)50-30-36-28-34-16-4-8-22-40(34)46(48(36)52)42-24-12-18-32-14-2-6-20-38(32)42;;1-2;/h1-8,11-24,27-30,43-44,49-50H,9-10,25-26H2;1H;;/q;;;+1/p-1/b35-29-,36-30-;;;/t43-,44-;;;/m1.../s1
SMILES: CC1(CC(CC(N1)(C)C)N=C2C=CC3=N[C@]45CCCC[C@H]4CC6=C(N5C3=C2)CCCC6)C
InChI: InChI=1S/C28H40N4/c1-26(2)17-22(18-27(3,4)31-26)29-21-12-13-23-25(16-21)32-24-11-6-5-9-19(24)15-20-10-7-8-14-28(20,32)30-23/h12-13,16,20,22,31H,5-11,14-15,17-18H2,1-4H3/t20-,28-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C4=C(C=CC(=C4)[N+](=O)[O-])N[C@@H]3C5=CC=CC=C5Cl
InChI: InChI=1S/C20H19ClN2O2/c21-16-4-2-1-3-14(16)20-19-12-6-5-11(9-12)18(19)15-10-13(23(24)25)7-8-17(15)22-20/h1-4,7-8,10-12,18-20,22H,5-6,9H2/t11-,12+,18+,19-,20+/m0/s1
SMILES: CCOC1=C(C=C(C=C1)NC(=O)CN2C(=O)[C@@]3(CCCC[C@H]3C)NC2=O)OCC
InChI: InChI=1S/C21H29N3O5/c1-4-28-16-10-9-15(12-17(16)29-5-2)22-18(25)13-24-19(26)21(23-20(24)27)11-7-6-8-14(21)3/h9-10,12,14H,4-8,11,13H2,1-3H3,(H,22,25)(H,23,27)/t14-,21+/m1/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]4C3=O)C(=C5)C)C
InChI: InChI=1S/C25H24N2O3/c1-13-6-4-9-20(15(13)3)26-23(28)16-7-5-8-18(11-16)27-24(29)21-17-10-14(2)19(12-17)22(21)25(27)30/h4-11,17,19,21-22H,12H2,1-3H3,(H,26,28)/t17-,19-,21+,22+/m1/s1
SMILES: B(C1=CN(C2=NC=NC(=C12)N)[C@H]3[C@]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)(C)O)(O)O
InChI: InChI=1S/C12H19BN4O12P2/c1-12(19)8(18)6(3-27-31(25,26)29-30(22,23)24)28-11(12)17-2-5(13(20)21)7-9(14)15-4-16-10(7)17/h2,4,6,8,11,18-21H,3H2,1H3,(H,25,26)(H2,14,15,16)(H2,22,23,24)/t6-,8-,11-,12-/m1/s1
SMILES: CCCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)N(CC)CC
InChI: InChI=1S/C30H33N3O4/c1-4-20-36-25-18-16-23(17-19-25)32-29(34)26-27(21-12-14-22(15-13-21)31(5-2)6-3)33(37-28(26)30(32)35)24-10-8-7-9-11-24/h7-19,26-28H,4-6,20H2,1-3H3/t26-,27-,28-/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C(=C(S[C@@H]3C2=O)N)C#N)C4=CC=C(C=C4)OC
InChI: InChI=1S/C22H19N3O3S/c1-12-3-7-14(8-4-12)25-21(26)18-17(13-5-9-15(28-2)10-6-13)16(11-23)20(24)29-19(18)22(25)27/h3-10,17-19H,24H2,1-2H3/t17-,18+,19+/m1/s1
SMILES: C[C@@]1(C[C@H](C2=C(C3=C(C4=C(C=C5C(=C4C(=C3C=C2C1)O)O[C@H]6[C@H]([C@@H]([C@H]([C@@]5(O6)C)O)N(C)C)O)O)O)O)OC)O
InChI: InChI=1S/C28H33NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30-36H,8-9H2,1-5H3/t14-,19+,23+,25-,26-,27-,28-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)OC3(O2)C4=CC=CC=C4N(C3=O)CN5CCN(CC5)C6=CC=CC=C6
InChI: InChI=1S/C25H29N3O3/c29-24-25(30-22-12-6-7-13-23(22)31-25)20-10-4-5-11-21(20)28(24)18-26-14-16-27(17-15-26)19-8-2-1-3-9-19/h1-5,8-11,22-23H,6-7,12-18H2/t22-,23+,25?
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)NCC=C)C)[C@H](C)C(=O)N4CCN(CC4)C)O
InChI: InChI=1S/C24H38N4O2S/c1-6-9-25-23-26-20-16(3)19-21(29)17(7-8-24(19,4)14-18(20)31-23)15(2)22(30)28-12-10-27(5)11-13-28/h6,15-17,19,21,29H,1,7-14H2,2-5H3,(H,25,26)/t15-,16-,17+,19+,21-,24-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CSC7=CC=CC=[N+]7[O-]
InChI: InChI=1S/C43H41N3O8S/c1-28-37(27-55-39-13-7-8-22-46(39)51)53-42(54-40(28)32-16-14-29(25-47)15-17-32)33-20-18-31(19-21-33)35-12-6-5-11-34(35)24-45-38(48)23-36(41(45)49)44-43(50)52-26-30-9-3-2-4-10-30/h2-22,28,36-37,40,42,47H,23-27H2,1H3,(H,44,50)/t28-,36?,37+,40+,42+/m0/s1
SMILES: CCCC[C@H]1[C@@H]([C@H](CN1CC(=O)N(CCCC)CCCC)C2=CC3=C(C=C2)OCO3)C(=O)O
InChI: InChI=1S/C26H40N2O5/c1-4-7-10-21-25(26(30)31)20(19-11-12-22-23(15-19)33-18-32-22)16-28(21)17-24(29)27(13-8-5-2)14-9-6-3/h11-12,15,20-21,25H,4-10,13-14,16-18H2,1-3H3,(H,30,31)/t20-,21+,25-/m1/s1
SMILES: C1=CC=C2C3[C@@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCN
InChI: InChI=1S/C20H18N2O2/c21-9-10-22-19(23)17-15-11-5-1-2-6-12(11)16(18(17)20(22)24)14-8-4-3-7-13(14)15/h1-8,15-18H,9-10,21H2/t15?,16?,17-,18+
SMILES: C1C=C[C@H]([C@@H]1N)CCOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C26H27NO/c27-25-18-10-11-21(25)19-20-28-26(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-17,21,25H,18-20,27H2/t21-,25+/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N3C[C@H](O[C@H](C3)C)C
InChI: InChI=1S/C17H27N3O4/c1-11-6-4-5-7-17(11)15(22)20(16(23)18-17)10-14(21)19-8-12(2)24-13(3)9-19/h11-13H,4-10H2,1-3H3,(H,18,23)/t11-,12-,13+,17+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-8(22)10(24)14(28)18(33-6)34-15-5(2-20)31-16(29)12(26)11(15)25/h4-29H,1-3H2/t4-,5-,6?,7-,8-,9+,10+,11-,12-,13-,14-,15-,16?,17+,18-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2[C@H](C(=O)N2C(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)[C@H](C)O)C(C)C
InChI: InChI=1S/C31H41NO6/c1-18(2)25-16-7-19(3)17-26(25)38-31(35)29-27(20(4)33)30(34)32(29)28(21-8-12-23(36-5)13-9-21)22-10-14-24(37-6)15-11-22/h8-15,18-20,25-29,33H,7,16-17H2,1-6H3/t19-,20+,25+,26-,27-,29+/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)S(=O)(=O)[C@H]2[C@H]3C[C@@](N(C2=O)C)(OC4=CC=CC=C34)C
InChI: InChI=1S/C22H25NO4S/c1-14(2)15-9-11-16(12-10-15)28(25,26)20-18-13-22(3,23(4)21(20)24)27-19-8-6-5-7-17(18)19/h5-12,14,18,20H,13H2,1-4H3/t18-,20-,22-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)(CC[C@]5([C@@]3(CC[C@@H](C5)O)CO)O)C
InChI: InChI=1S/C24H36O6/c1-20-6-5-18-21(2,9-10-23(28)12-16(26)3-7-22(18,23)14-25)24(20,29)8-4-17(20)15-11-19(27)30-13-15/h11,16-18,25-26,28-29H,3-10,12-14H2,1-2H3/t16-,17+,18-,20+,21+,22-,23-,24+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)N3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C20H22N2O7/c1-11(22-18(24)13-4-2-3-5-14(13)19(22)25)20(26)27-9-17(23)21-12-6-7-15-16(8-12)29-10-28-15/h6-8,11,13-14H,2-5,9-10H2,1H3,(H,21,23)/t11-,13-,14-/m0/s1
SMILES: CC1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
InChI: InChI=1S/C9H14N4O5/c1-3-11-8(7(10)17)12-13(3)9-6(16)5(15)4(2-14)18-9/h4-6,9,14-16H,2H2,1H3,(H2,10,17)/t4-,5-,6-,9-/m1/s1
SMILES: C1C2=CC=CC=C2C(=O)[C@@]13[C@@H]([C@H]4[C@@H]([C@H]3C5=CC=CS5)C(=O)C6=CC=CC=C46)C7=CC=CS7
InChI: InChI=1S/C28H20O2S2/c29-26-19-10-4-3-9-18(19)22-23(26)25(21-12-6-14-32-21)28(24(22)20-11-5-13-31-20)15-16-7-1-2-8-17(16)27(28)30/h1-14,22-25H,15H2/t22-,23+,24-,25-,28-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NC3=CC=CC=C3N2)C(C)(C)C
InChI: InChI=1S/C20H28N2O2S/c1-13-9-10-14(20(2,3)4)17(11-13)24-18(23)12-25-19-21-15-7-5-6-8-16(15)22-19/h5-8,13-14,17H,9-12H2,1-4H3,(H,21,22)/t13-,14+,17+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F
InChI: InChI=1S/C17H20F3NO/c1-12-5-2-3-8-15(12)21-16(22)10-9-13-6-4-7-14(11-13)17(18,19)20/h4,6-7,9-12,15H,2-3,5,8H2,1H3,(H,21,22)/b10-9+/t12-,15+/m1/s1
SMILES: COC1=C(C(=C(C=C1)C(=O)N2CC[C@H]3CCCC[C@@H]3C2)OC)OC
InChI: InChI=1S/C19H27NO4/c1-22-16-9-8-15(17(23-2)18(16)24-3)19(21)20-11-10-13-6-4-5-7-14(13)12-20/h8-9,13-14H,4-7,10-12H2,1-3H3/t13-,14-/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]3C4=CC=CC=C4[C@H]2N3
InChI: InChI=1S/C16H18N2O2/c1-16(2,3)18-14(19)10-11(15(18)20)13-9-7-5-4-6-8(9)12(10)17-13/h4-7,10-13,17H,1-3H3/t10-,11+,12-,13+
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1F)O)N2C=C(C(=O)NC2=O)F)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C31H28F2N2O7/c1-19(36)41-27-24(42-29(26(37)25(27)33)35-17-23(32)28(38)34-30(35)39)18-40-31(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-17,24-27,29,37H,18H2,1H3,(H,34,38,39)/t24-,25-,26-,27-,29-/m1/s1
SMILES: C[C@@H]1CC2=NC(=C([C@@H](C2C(=O)[C@H]1C(=O)OC)C3=CC=CC=C3C)C(=O)OC(C)C)C
InChI: InChI=1S/C24H29NO5/c1-12(2)30-24(28)19-15(5)25-17-11-14(4)18(23(27)29-6)22(26)21(17)20(19)16-10-8-7-9-13(16)3/h7-10,12,14,18,20-21H,11H2,1-6H3/t14-,18+,20+,21?/m1/s1
SMILES: CCOC1=C(C=C2C(=C1)[C@H]3CN(CC[C@H]3N=C2C4=CC=C(C=C4)C(=O)N([C@@H](C)COC)C(C)C)C)OC.Cl
InChI: InChI=1S/C30H41N3O4.ClH/c1-8-37-28-15-23-24(16-27(28)36-7)29(31-26-13-14-32(5)17-25(23)26)21-9-11-22(12-10-21)30(34)33(19(2)3)20(4)18-35-6;/h9-12,15-16,19-20,25-26H,8,13-14,17-18H2,1-7H3;1H/t20-,25+,26+;/m0./s1
SMILES: C[Si](C)([C@@H]1CC[C@@]2([C@H]1CCOC2=O)C(F)(F)F)C3=CC=CC=C3
InChI: InChI=1S/C17H21F3O2Si/c1-23(2,12-6-4-3-5-7-12)14-8-10-16(17(18,19)20)13(14)9-11-22-15(16)21/h3-7,13-14H,8-11H2,1-2H3/t13-,14+,16-/m0/s1
SMILES: CC1=CC2=C(C=C1)N[C@H]([C@@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H18N2O2/c1-12-5-10-18-17(11-12)15-3-2-4-16(15)19(20-18)13-6-8-14(9-7-13)21(22)23/h2-3,5-11,15-16,19-20H,4H2,1H3/t15-,16-,19-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)N4CCCC4=O
InChI: InChI=1S/C20H22N2O4S/c23-17-10-5-11-22(17)18(24)12-26-20(25)14-7-2-1-6-13(14)19-21-15-8-3-4-9-16(15)27-19/h3-4,8-9,13-14H,1-2,5-7,10-12H2/t13-,14-/m1/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O1)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)COC(=O)C6=CC=CC=C6)COC(=O)C7=CC=CC=C7)C
InChI: InChI=1S/C43H44O14/c1-43(2)56-35-31(25-50-39(47)28-19-11-5-12-20-28)52-41(33(45)36(35)57-43)55-34-30(24-49-38(46)27-17-9-4-10-18-27)53-42(51-23-26-15-7-3-8-16-26)37(32(34)44)54-40(48)29-21-13-6-14-22-29/h3-22,30-37,41-42,44-45H,23-25H2,1-2H3/t30-,31-,32+,33-,34-,35+,36-,37-,41+,42-/m1/s1
SMILES: CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N[C@@H]4CCC[C@@H]([C@@H]4C)C
InChI: InChI=1S/C24H29N3O2S/c1-4-27-23(29)19-12-17-9-5-6-10-18(17)13-21(19)26-24(27)30-14-22(28)25-20-11-7-8-15(2)16(20)3/h5-6,9-10,12-13,15-16,20H,4,7-8,11,14H2,1-3H3,(H,25,28)/t15-,16-,20+/m0/s1
SMILES: CC(C)OC1=C([C@@]23[C@@H](CCO2)[C@@H]4CCO[C@@H]4[C@@]3(C1=O)O)OC(C)C
InChI: InChI=1S/C18H26O6/c1-9(2)23-13-14(19)17(20)15-11(5-7-21-15)12-6-8-22-18(12,17)16(13)24-10(3)4/h9-12,15,20H,5-8H2,1-4H3/t11-,12-,15-,17+,18+/m0/s1
SMILES: CCO[C@@H]1C=C[C@@H]([C@H](O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI: InChI=1S/C27H28O4/c1-2-29-26-19-18-24(28)25(31-26)20-30-27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-19,24-26,28H,2,20H2,1H3/t24-,25+,26-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])O)O)O
InChI: InChI=1S/C13H18N2O7/c1-6-10(16)11(17)12(18)13(22-6)14-8-4-3-7(21-2)5-9(8)15(19)20/h3-6,10-14,16-18H,1-2H3/t6-,10+,11+,12+,13-/m1/s1
SMILES: CC(C)N1C=NC2=C(N=C(N=C21)N[C@H]3CCCC[C@H]3NC(=O)NC4=CC=CC=C4)NCC5=CC=C(C=C5)C6=CC=CC=C6
InChI: InChI=1S/C34H38N8O/c1-23(2)42-22-36-30-31(35-21-24-17-19-26(20-18-24)25-11-5-3-6-12-25)40-33(41-32(30)42)38-28-15-9-10-16-29(28)39-34(43)37-27-13-7-4-8-14-27/h3-8,11-14,17-20,22-23,28-29H,9-10,15-16,21H2,1-2H3,(H2,37,39,43)(H2,35,38,40,41)/t28-,29+/m0/s1
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)C(=C)CN(C[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)CC(=C)C4=CC=C(C=C4)OC
InChI: InChI=1S/C34H46N2O2/c1-8-36(9-2)33(37)28-12-10-26(11-13-28)24(3)21-35(22-25(4)27-15-18-31(38-7)19-16-27)23-29-14-17-30-20-32(29)34(30,5)6/h10-13,15-16,18-19,29-30,32H,3-4,8-9,14,17,20-23H2,1-2,5-7H3/t29-,30-,32-/m0/s1
SMILES: CCC1=CC(=CC=C1)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@H]5[C@@H]4N5S(=O)(=O)C6=CC=C(C=C6)C
InChI: InChI=1S/C24H24N2O4S/c1-3-14-5-4-6-15(11-14)25-23(27)19-17-12-18(20(19)24(25)28)22-21(17)26(22)31(29,30)16-9-7-13(2)8-10-16/h4-11,17-22H,3,12H2,1-2H3/t17-,18+,19-,20+,21-,22+,26?
SMILES: COC(=O)C[C@H]1[C@@H](C[C@@H]2[C@H](O1)CCCO2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H22O6/c1-21-17(19)11-16-15(10-14-13(23-16)8-5-9-22-14)24-18(20)12-6-3-2-4-7-12/h2-4,6-7,13-16H,5,8-11H2,1H3/t13-,14-,15-,16+/m1/s1
SMILES: CNC(=S)OC[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C(N=CN=C32)N[C@@H]4CCOC4)O)O
InChI: InChI=1S/C16H22N6O5S/c1-17-16(28)26-5-9-11(23)12(24)15(27-9)22-7-20-10-13(18-6-19-14(10)22)21-8-2-3-25-4-8/h6-9,11-12,15,23-24H,2-5H2,1H3,(H,17,28)(H,18,19,21)/t8-,9-,11-,12-,15?/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C24H19ClN2O3/c1-15-7-5-12-19(13-15)26-23(28)20-21(16-8-6-9-17(25)14-16)27(30-22(20)24(26)29)18-10-3-2-4-11-18/h2-14,20-22H,1H3/t20-,21+,22+/m1/s1
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@@H]([C@@H]([C@H](O4)C)C)OC
InChI: InChI=1S/C23H28O5/c1-7-8-14-11-16(24)27-22-17(14)21-15(9-10-23(4,5)28-21)20-18(22)19(25-6)12(2)13(3)26-20/h9-13,19H,7-8H2,1-6H3/t12-,13-,19-/m1/s1
SMILES: CCC1=CC=C(C=C1)CN2[C@H]3[C@H](C(=O)N(C3=O)C4=CC(=C(C=C4)C)C)N=N2
InChI: InChI=1S/C21H22N4O2/c1-4-15-6-8-16(9-7-15)12-24-19-18(22-23-24)20(26)25(21(19)27)17-10-5-13(2)14(3)11-17/h5-11,18-19H,4,12H2,1-3H3/t18-,19+/m1/s1
SMILES: CC(=O)OC[C@]1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)C)C)[C@@H](C[C@@]4(C3=CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)OC(=O)C)C)C
InChI: InChI=1S/C37H56O8/c1-22(38)43-21-36(9)27-11-14-33(6)26-12-16-37(31(41)42-10)18-17-32(4,5)20-28(37)35(26,8)19-25(44-23(2)39)30(33)34(27,7)15-13-29(36)45-24(3)40/h12,25,27-30H,11,13-21H2,1-10H3/t25-,27-,28+,29+,30+,33+,34+,35-,36+,37-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=C(C=C7)OCCO)C(=O)N(C5=O)C8CCCCC8
InChI: InChI=1S/C41H43N3O6/c1-25-12-16-28(17-13-25)42-44-38(47)34-24-33-31(20-21-32-35(33)39(48)43(37(32)46)29-10-6-3-7-11-29)36(26-14-18-30(19-15-26)50-23-22-45)41(34,40(44)49)27-8-4-2-5-9-27/h2,4-5,8-9,12-20,29,32-36,42,45H,3,6-7,10-11,21-24H2,1H3/t32-,33+,34-,35-,36-,41+/m0/s1
SMILES: CC(=N)[C@H]1C[C@@H](O[C@@H]1CO)N2C=CC(=C2)[N+](=O)[O-]
InChI: InChI=1S/C11H15N3O4/c1-7(12)9-4-11(18-10(9)6-15)13-3-2-8(5-13)14(16)17/h2-3,5,9-12,15H,4,6H2,1H3/t9-,10-,11-/m1/s1
SMILES: [B].C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CP(C2=CC=CC=C2)C(C)(C)C)C(C)C
InChI: InChI=1S/C22H35O2P.B/c1-16(2)19-13-12-17(3)14-20(19)24-21(23)15-25(22(4,5)6)18-10-8-7-9-11-18;/h7-11,16-17,19-20H,12-15H2,1-6H3;/t17-,19+,20-,25?;/m1./s1
SMILES: C[C@H]1[C@H](N([C@H](CO1)C2(CC2)OC(=O)N3CCC(CC3)CO)S(=O)(=O)C4=CC=C(C=C4)Cl)C5CC5
InChI: InChI=1S/C24H33ClN2O6S/c1-16-22(18-2-3-18)27(34(30,31)20-6-4-19(25)5-7-20)21(15-32-16)24(10-11-24)33-23(29)26-12-8-17(14-28)9-13-26/h4-7,16-18,21-22,28H,2-3,8-15H2,1H3/t16-,21+,22-/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2OC(=O)C(C(C(F)(F)F)(F)F)(F)F)CCC4=CC(=CC[C@]34C)OC(=O)C(C(F)(F)F)(F)F
InChI: InChI=1S/C26H26F12O4/c1-20-9-7-13(41-19(40)23(29,30)25(33,34)35)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)42-18(39)22(27,28)24(31,32)26(36,37)38/h7,11,14-17H,3-6,8-10H2,1-2H3/t14?,15?,16?,17-,20-,21-/m0/s1
SMILES: CC[C@H]1[C@H]([C@@H](CC(=CC=C[C@@H]([C@H](OC(=O)C(=CC(=C[C@H]([C@H]1O)C)C)OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@@H]([C@@H]([C@H](O2)C=CC)C)OC3CC(C(C(O3)C)O)O)O)O)OC)O)C)O
InChI: InChI=1S/C44H72O14/c1-12-15-33-26(6)36(56-37-21-32(46)41(50)29(9)55-37)22-44(52,58-33)28(8)40(49)27(7)42-34(53-10)17-14-16-30(45)20-25(5)39(48)31(13-2)38(47)24(4)18-23(3)19-35(54-11)43(51)57-42/h12,14-19,24-29,31-34,36-42,45-50,52H,13,20-22H2,1-11H3/t24-,25-,26-,27+,28+,29?,31-,32?,33-,34+,36+,37?,38-,39+,40-,41?,42-,44-/m1/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C=CC5=CC(=C(C=C5)O)OC)C6=CC=CC=C6)C7=CC(=CC=C7)Cl
InChI: InChI=1S/C37H33ClN2O6/c1-3-39-33(42)26-15-14-25-27(32(26)35(39)44)20-29-34(43)40(24-11-7-10-23(38)19-24)36(45)37(29,22-8-5-4-6-9-22)28(25)16-12-21-13-17-30(41)31(18-21)46-2/h4-14,16-19,26-29,32,41H,3,15,20H2,1-2H3/t26-,27+,28-,29-,32-,37-/m0/s1
SMILES: C=CC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=C(C7=CC=CC=C7C=C6)O)Cl)C8=CC=C(C=C8)F)Cl
InChI: InChI=1S/C38H27Cl2FN2O5/c1-2-20-7-12-23(13-8-20)42-33(45)27-18-17-26-29(30(27)34(42)46)19-37(39)35(47)43(24-14-10-22(41)11-15-24)36(48)38(37,40)31(26)28-16-9-21-5-3-4-6-25(21)32(28)44/h2-17,27,29-31,44H,1,18-19H2/t27-,29+,30-,31+,37+,38-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC\2CC(C(C(CC(=O)CC(C(CCC(=O)CC(CC(CC(=O)OC(C(C(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)O)C)C)O)O)O)O)O)C(=O)O)O)O)N)O
InChI: InChI=1S/C47H71NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-18,27-30,32-33,35-39,41-45,47,50-51,53-56,58-60H,19-26,48H2,1-4H3,(H,61,62)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30-,32?,33?,35?,36?,37?,38?,39?,41?,42+,43?,44-,45+,47+/m0/s1
SMILES: CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(CC[C@@H]4[C@@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)OC(O2)(C)C
InChI: InChI=1S/C26H38O6/c1-15(27)30-14-21(29)26-22(31-23(2,3)32-26)13-20-18-7-6-16-12-17(28)8-10-24(16,4)19(18)9-11-25(20,26)5/h6,17-20,22,28H,7-14H2,1-5H3/t17-,18-,19+,20-,22+,24-,25-,26+/m0/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)OC(=O)C)C)C
InChI: InChI=1S/C24H30O4/c1-14-12-21-19-7-6-17-13-18(27)8-10-22(17,4)20(19)9-11-23(21,5)24(14,15(2)25)28-16(3)26/h6-8,10,13-14,19-21H,9,11-12H2,1-5H3/t14-,19+,20-,21-,22-,23-,24-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN(C)CCC6=CC=CC=N6
InChI: InChI=1S/C44H50N4O6S/c1-31-12-22-39(23-13-31)55(51,52)47-40(27-33-9-5-4-6-10-33)43(50)46-28-34-14-20-37(21-15-34)44-53-41(29-48(3)26-24-38-11-7-8-25-45-38)32(2)42(54-44)36-18-16-35(30-49)17-19-36/h4-23,25,32,40-42,44,47,49H,24,26-30H2,1-3H3,(H,46,50)/t32-,40-,41+,42+,44+/m1/s1