EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC5=C(C4)C6=C(N(C(=S)N=C6S5)C7=CC=CC=C7)N)C)C
InChI: InChI=1S/C31H37N3O2S2/c1-17(35)36-25-12-11-22-20-10-9-18-15-21-24(16-31(18,3)23(20)13-14-30(22,25)2)38-28-26(21)27(32)34(29(37)33-28)19-7-5-4-6-8-19/h4-8,18,20,22-23,25H,9-16,32H2,1-3H3/t18-,20-,22-,23-,25-,30-,31-/m0/s1
SMILES: C=CCN(C1CCN(CC1)C[C@H]2CC(C[C@@H]2C3=CC=CC=C3)C(CC4CC4)C(=O)O)C(=O)NCC5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C34H44N4O5/c1-2-16-37(34(41)35-22-25-10-12-30(13-11-25)38(42)43)29-14-17-36(18-15-29)23-28-20-27(32(33(39)40)19-24-8-9-24)21-31(28)26-6-4-3-5-7-26/h2-7,10-13,24,27-29,31-32H,1,8-9,14-23H2,(H,35,41)(H,39,40)/t27?,28-,31-,32?/m1/s1
SMILES: CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
InChI: InChI=1S/C32H45N3O4S.C14H9ClF3NO2/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);3-4,7-8H,1-2H2,(H,19,20)/t22-,23+,26-,27-,29+;13-/m00/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC2=C(C1=O)[C@@H](CC(=O)N2)C3=CC=C(C=C3)F)C4=CC=CS4
InChI: InChI=1S/C22H20FNO4S/c1-2-28-22(27)20-15(17-4-3-9-29-17)10-16-19(21(20)26)14(11-18(25)24-16)12-5-7-13(23)8-6-12/h3-9,14-15,20H,2,10-11H2,1H3,(H,24,25)/t14-,15+,20+/m0/s1
SMILES: CC(=O)O[C@H](C[C@@H]1C(=C)CC[C@@H]2[C@]1(CCC[C@@]2(C)C(=O)O)C)C3=COC=C3
InChI: InChI=1S/C22H30O5/c1-14-6-7-19-21(3,9-5-10-22(19,4)20(24)25)17(14)12-18(27-15(2)23)16-8-11-26-13-16/h8,11,13,17-19H,1,5-7,9-10,12H2,2-4H3,(H,24,25)/t17-,18-,19-,21+,22-/m1/s1
SMILES: C1COCC[NH+]1CCCNC(=O)[C@@H]2CC3=CC=CC=C3[C@@H]2C(Cl)Cl
InChI: InChI=1S/C18H24Cl2N2O2/c19-17(20)16-14-5-2-1-4-13(14)12-15(16)18(23)21-6-3-7-22-8-10-24-11-9-22/h1-2,4-5,15-17H,3,6-12H2,(H,21,23)/p+1/t15-,16+/m1/s1
SMILES: CCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=NC(=N2)N[C@@H]4CCCC[C@@H]4C(=O)N)N(C=N3)CC
InChI: InChI=1S/C24H34N8O3S/c1-3-5-14-27-36(34,35)17-12-10-16(11-13-17)28-22-20-23(32(4-2)15-26-20)31-24(30-22)29-19-9-7-6-8-18(19)21(25)33/h10-13,15,18-19,27H,3-9,14H2,1-2H3,(H2,25,33)(H2,28,29,30,31)/t18-,19+/m0/s1
SMILES: C[C@@H]1[C@H](N(C(=O)O1)C(=O)[C@@H]2[C@H](OC(=O)N2C(=O)[C@@H]3[C@H](OC(=O)N3C(=O)OC(C)(C)C)C)C)C(=O)N4[C@@H]([C@H](OC4=O)C)C(=O)N5[C@@H]([C@H](OC5=O)C)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C37H41N5O18/c1-15-21(26(43)39-23(17(3)57-32(39)49)28(45)41-25(19(5)59-34(41)51)30(47)54-14-20-12-10-9-11-13-20)38(31(48)55-15)27(44)22-16(2)56-33(50)40(22)29(46)24-18(4)58-35(52)42(24)36(53)60-37(6,7)8/h9-13,15-19,21-25H,14H2,1-8H3/t15-,16-,17-,18-,19-,21+,22+,23+,24+,25+/m1/s1
SMILES: CCCCCCCCN[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)CCCCCC(=O)OC
InChI: InChI=1S/C23H41NO3/c1-3-4-5-6-7-11-16-24-23-19-15-14-18(17-19)22(23)20(25)12-9-8-10-13-21(26)27-2/h18-19,22-24H,3-17H2,1-2H3/t18-,19+,22+,23-/m0/s1
SMILES: CCOC(=O)C[C@]1([C@@H](CC[C@@H]1OCOC)C/C=C/S(=O)(=O)C2=CC=C(C=C2)C)C
InChI: InChI=1S/C22H32O6S/c1-5-27-21(23)15-22(3)18(10-13-20(22)28-16-26-4)7-6-14-29(24,25)19-11-8-17(2)9-12-19/h6,8-9,11-12,14,18,20H,5,7,10,13,15-16H2,1-4H3/b14-6+/t18-,20+,22+/m1/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C[C@@]4(CC[C@H]3[C@@H]1CCC2=O)O)/C=C\I
InChI: InChI=1S/C20H25IO3/c1-19-10-12(7-9-21)18-14(15(19)4-5-17(19)23)6-8-20(24)11-13(22)2-3-16(18)20/h7,9,12,14-15,24H,2-6,8,10-11H2,1H3/b9-7-/t12-,14-,15-,19-,20+/m0/s1
SMILES: CC1([C@@H]([C@H]1C(=O)NC2=C(C(=CC=C2)Cl)Cl)C=C(Cl)Cl)C
InChI: InChI=1S/C14H13Cl4NO/c1-14(2)7(6-10(16)17)11(14)13(20)19-9-5-3-4-8(15)12(9)18/h3-7,11H,1-2H3,(H,19,20)/t7-,11+/m1/s1
SMILES: COC([C@@H]1C[C@@H]([C@H]2[C@@H]1OC3(O2)CCCCC3)O)OC
InChI: InChI=1S/C14H24O5/c1-16-13(17-2)9-8-10(15)12-11(9)18-14(19-12)6-4-3-5-7-14/h9-13,15H,3-8H2,1-2H3/t9-,10+,11-,12+/m1/s1
SMILES: C[C@@H]1CC2[C@@](CC[C@]3([C@]2(CC[C@@]4(C3=CC(=O)C5=C(C(=C(C=C54)O)O)C(=O)O)C)C)C)([C@@H](C1=O)O)C
InChI: InChI=1S/C28H34O7/c1-13-10-17-26(3,23(33)21(13)31)7-9-28(5)18-12-15(29)19-14(25(18,2)6-8-27(17,28)4)11-16(30)22(32)20(19)24(34)35/h11-13,17,23,30,32-33H,6-10H2,1-5H3,(H,34,35)/t13-,17?,23-,25+,26-,27+,28-/m1/s1
SMILES: C[C@H](C[C@H]1[C@@H](C[C@]2([C@H](O1)C[C@@H]([C@H](O2)CO)OCC3=CC=C(C=C3)OC)C)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C34H62O7Si2/c1-24(22-38-42(10,11)32(2,3)4)18-28-29(41-43(12,13)33(5,6)7)20-34(8)31(39-28)19-27(30(21-35)40-34)37-23-25-14-16-26(36-9)17-15-25/h14-17,24,27-31,35H,18-23H2,1-13H3/t24-,27+,28+,29-,30-,31-,34+/m1/s1
SMILES: C1[C@H]([C@H](O[C@H]1N2C3=NC=NC(=C3N=C2Br)N)COP(=O)(O)O)OP(=O)(O)O
InChI: InChI=1S/C10H14BrN5O9P2/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)/t4-,5-,6-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2C[NH+](CC3)C)C(=O)/C=C/C4=CC=C(C=C4)F
InChI: InChI=1S/C22H23FN2O/c1-15-3-9-20-18(13-15)19-14-24(2)12-11-21(19)25(20)22(26)10-6-16-4-7-17(23)8-5-16/h3-10,13,19,21H,11-12,14H2,1-2H3/p+1/b10-6+/t19-,21+/m1/s1
SMILES: CC(=O)OCC(C(=C)C(=O)O[C@H]1C[C@]2([C@@H](CC[C@@H]([C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)C=O)O)C)O
InChI: InChI=1S/C22H28O9/c1-10(14(25)9-29-12(3)24)20(27)30-15-7-22(4)16(26)6-5-13(8-23)18(22)19-17(15)11(2)21(28)31-19/h8,13-19,25-26H,1-2,5-7,9H2,3-4H3/t13-,14?,15+,16-,17-,18-,19+,22+/m1/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=C(C=C5OC)OC)O)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl
InChI: InChI=1S/C29H21Cl2F5N2O7/c1-37-24(40)11-5-4-10-12(15(11)25(37)41)8-28(30)26(42)38(23-21(35)19(33)18(32)20(34)22(23)36)27(43)29(28,31)17(10)16-13(39)6-9(44-2)7-14(16)45-3/h4,6-7,11-12,15,17,39H,5,8H2,1-3H3/t11-,12+,15-,17+,28+,29-/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4OCCO)Cl)C5=CC=C(C=C5)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC(=C(C=C7)C(=O)O)O
InChI: InChI=1S/C35H27Cl2FN2O9/c36-34-16-24-20(11-12-23-27(24)30(44)39(29(23)43)19-9-10-21(31(45)46)25(42)15-19)28(22-3-1-2-4-26(22)49-14-13-41)35(34,37)33(48)40(32(34)47)18-7-5-17(38)6-8-18/h1-11,15,23-24,27-28,41-42H,12-14,16H2,(H,45,46)/t23-,24+,27-,28+,34+,35-/m0/s1
SMILES: CC1=CC=C(C=C1)CCC2(C(=O)NC(=O)N2)[C@H]3C[C@@H]3C(=O)O
InChI: InChI=1S/C16H18N2O4/c1-9-2-4-10(5-3-9)6-7-16(12-8-11(12)13(19)20)14(21)17-15(22)18-16/h2-5,11-12H,6-8H2,1H3,(H,19,20)(H2,17,18,21,22)/t11-,12-,16?/m0/s1
SMILES: C[C@H]1CN([C@H]([C@@H](O1)C)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)O
InChI: InChI=1S/C14H19NO6S/c1-9-8-15(13(10(2)21-9)14(17)20-3)22(18,19)12-6-4-11(16)5-7-12/h4-7,9-10,13,16H,8H2,1-3H3/t9-,10-,13+/m0/s1
SMILES: CCC1(C[C@@]2(C(=O)[C@H]3[C@@H](CO2)OC(O3)(C)C)OC1=O)CC
InChI: InChI=1S/C15H22O6/c1-5-14(6-2)8-15(21-12(14)17)11(16)10-9(7-18-15)19-13(3,4)20-10/h9-10H,5-8H2,1-4H3/t9-,10-,15+/m1/s1
SMILES: CC1=C[C@H]2C[C@@H]1[C@@H]3[C@@H]2C(=O)N(C3=O)CC(=O)N4CCN(CC4)C5=CC=CC=C5
InChI: InChI=1S/C22H25N3O3/c1-14-11-15-12-17(14)20-19(15)21(27)25(22(20)28)13-18(26)24-9-7-23(8-10-24)16-5-3-2-4-6-16/h2-6,11,15,17,19-20H,7-10,12-13H2,1H3/t15-,17-,19+,20+/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)CSC6=NC=CC=N6
InChI: InChI=1S/C40H42N4O6S2/c1-27-9-19-34(20-10-27)52(47,48)44-35(23-29-7-4-3-5-8-29)38(46)43-24-30-11-17-33(18-12-30)39-49-36(26-51-40-41-21-6-22-42-40)28(2)37(50-39)32-15-13-31(25-45)14-16-32/h3-22,28,35-37,39,44-45H,23-26H2,1-2H3,(H,43,46)/t28-,35+,36+,37+,39+/m0/s1
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)N2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C19H25N3O/c1-14(19(23)21-18-8-6-15(12-20)7-9-18)22-11-10-16-4-2-3-5-17(16)13-22/h6-9,14,16-17H,2-5,10-11,13H2,1H3,(H,21,23)/t14-,16-,17+/m0/s1
SMILES: CCOC1=N[C@@H]2[C@H]3[C@@H]([C@]([C@@H]([C@@H]2O1)O3)(O[Si](C)(C)C(C)(C)C)Cl)O
InChI: InChI=1S/C15H26ClNO5Si/c1-7-19-13-17-8-9-11(18)15(16,12(20-9)10(8)21-13)22-23(5,6)14(2,3)4/h8-12,18H,7H2,1-6H3/t8-,9+,10-,11+,12-,15-/m1/s1
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)N=S(=O)([C@H]2[C@@H](N(O[C@@H]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(C)C
InChI: InChI=1S/C42H46N2O2S/c1-29(2)34-27-37(30(3)4)39(38(28-34)31(5)6)43-47(45,36-25-17-10-18-26-36)42-40(32-19-11-7-12-20-32)44(35-23-15-9-16-24-35)46-41(42)33-21-13-8-14-22-33/h7-31,40-42H,1-6H3/t40-,41+,42-,47?/m0/s1
SMILES: CC(C)(C)[C@H]1[C@H]([C@@H](OC1=O)C2=CC=CC=C2)C(=O)O
InChI: InChI=1S/C15H18O4/c1-15(2,3)11-10(13(16)17)12(19-14(11)18)9-7-5-4-6-8-9/h4-8,10-12H,1-3H3,(H,16,17)/t10-,11+,12+/m1/s1
SMILES: C1C=C(C[C@@H]([C@H]1C#N)C#N)[N+]2=CC=CC=C2.F[P-](F)(F)(F)(F)F
InChI: InChI=1S/C13H12N3.F6P/c14-9-11-4-5-13(8-12(11)10-15)16-6-2-1-3-7-16;1-7(2,3,4,5)6/h1-3,5-7,11-12H,4,8H2;/q+1;-1/t11-,12-;/m1./s1
SMILES: C/C=C/C=C/C(=O)N1CC[C@@]23[C@@H]1N4CC[C@@]25[C@@H](NC6=CC=CC=C36)NC7=CC=CC(=C57)[C@@H]4C8C(O8)(C)C
InChI: InChI=1S/C31H34N4O2/c1-4-5-6-14-23(36)34-17-15-30-20-11-7-8-12-21(20)32-27-31(30)16-18-35(28(30)34)25(26-29(2,3)37-26)19-10-9-13-22(33-27)24(19)31/h4-14,25-28,32-33H,15-18H2,1-3H3/b5-4+,14-6+/t25-,26?,27+,28+,30-,31-/m1/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=C4CNC(=O)OCC=C)CN5CCCCCCC5
InChI: InChI=1S/C37H46N2O5/c1-3-23-42-37(41)38-24-32-11-7-8-12-33(32)29-17-19-31(20-18-29)36-43-34(25-39-21-9-5-4-6-10-22-39)27(2)35(44-36)30-15-13-28(26-40)14-16-30/h3,7-8,11-20,27,34-36,40H,1,4-6,9-10,21-26H2,2H3,(H,38,41)/t27-,34+,35+,36+/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CN6[C@@H]7CCCC[C@@H]7CC[C@@H]6C(=O)NC(C)(C)C
InChI: InChI=1S/C45H56N4O8/c1-28-38(25-48-36-16-9-8-13-31(36)21-22-37(48)41(52)47-45(2,3)4)56-43(57-40(28)32-19-17-29(26-50)18-20-32)33-14-10-15-34(23-33)49-39(51)24-35(42(49)53)46-44(54)55-27-30-11-6-5-7-12-30/h5-7,10-12,14-15,17-20,23,28,31,35-38,40,43,50H,8-9,13,16,21-22,24-27H2,1-4H3,(H,46,54)(H,47,52)/t28-,31-,35?,36-,37-,38+,40+,43+/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=CN=CN=C43)OC(=O)C5=CC(=CC=C5)C(F)(F)F)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C30H41F3N4O6Si2/c1-17(2)44(18(3)4)39-14-24-25(42-45(43-44,19(5)6)20(7)8)26(28(40-24)37-16-36-23-13-34-15-35-27(23)37)41-29(38)21-10-9-11-22(12-21)30(31,32)33/h9-13,15-20,24-26,28H,14H2,1-8H3/t24-,25-,26-,28-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C)CN4CCC[C@H]4COC
InChI: InChI=1S/C27H36N2O5/c1-18-25(15-29-13-5-8-24(29)17-32-3)33-27(22-6-4-7-23(14-22)28-19(2)31)34-26(18)21-11-9-20(16-30)10-12-21/h4,6-7,9-12,14,18,24-27,30H,5,8,13,15-17H2,1-3H3,(H,28,31)/t18-,24-,25+,26+,27+/m0/s1
SMILES: C[C@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@H]3C)O)(C)C=C)OC(=O)CO)C
InChI: InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14+,16+,18-,19-,20+,21-,22-/m0/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2N3CCN(CC3)C(=O)C4=CC(=CC=C4)F
InChI: InChI=1S/C18H23FN2O/c19-16-3-1-2-15(12-16)18(22)21-8-6-20(7-9-21)17-11-13-4-5-14(17)10-13/h1-3,12-14,17H,4-11H2/t13-,14-,17-/m0/s1
SMILES: CC(C)(C)[P@@]1[C@H](C2=CC=CC=C21)[C@H]3C4=CC=CC=C4[P@@]3C(C)(C)C
InChI: InChI=1S/C22H28P2/c1-21(2,3)23-17-13-9-7-11-15(17)19(23)20-16-12-8-10-14-18(16)24(20)22(4,5)6/h7-14,19-20H,1-6H3/t19-,20-,23+,24+/m1/s1
SMILES: CC1=NC2=C(C3=C(S2)CCC3)C(=N1)S[C@@H]4CS(=O)(=O)C[C@@H]4O
InChI: InChI=1S/C14H16N2O3S3/c1-7-15-13-12(8-3-2-4-10(8)20-13)14(16-7)21-11-6-22(18,19)5-9(11)17/h9,11,17H,2-6H2,1H3/t9-,11+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]
InChI: InChI=1S/C21H29N3O6/c1-14-5-3-4-6-17(14)22-20(25)15(2)30-21(26)16-7-8-18(19(13-16)24(27)28)23-9-11-29-12-10-23/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,22,25)/t14-,15+,17+/m0/s1
SMILES: C[C@H]1CO[C@@]2(C[C@@H]1O)[C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@]6([C@@]5(C[C@H]([C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)O)C)C
InChI: InChI=1S/C33H54O12/c1-14-13-42-33(10-19(14)35)15(2)25-21(45-33)8-18-16-7-24(37)32(41)9-20(36)22(11-31(32,4)17(16)5-6-30(18,25)3)43-29-28(40)27(39)26(38)23(12-34)44-29/h14-29,34-41H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19-,20+,21-,22+,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33+/m0/s1
SMILES: CCC(=O)N(C1=CC=CC=C1)[C@]2(CCN(C[C@H]2C)CC3=CC=CC=C3)C(=O)OCC
InChI: InChI=1S/C25H32N2O3/c1-4-23(28)27(22-14-10-7-11-15-22)25(24(29)30-5-2)16-17-26(18-20(25)3)19-21-12-8-6-9-13-21/h6-15,20H,4-5,16-19H2,1-3H3/t20-,25+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@H]2CC(=O)C[C@@H]3[C@H]2C(=O)NC3=O
InChI: InChI=1S/C16H17NO5/c1-21-9-3-4-13(22-2)10(7-9)11-5-8(18)6-12-14(11)16(20)17-15(12)19/h3-4,7,11-12,14H,5-6H2,1-2H3,(H,17,19,20)/t11-,12-,14+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@]([C@@H]([C@@H](S1)C2=CC=C(C=C2)Cl)C#N)(C3=CC=CC=C3)O
InChI: InChI=1S/C20H18ClNO3S/c1-2-25-19(23)18-20(24,14-6-4-3-5-7-14)16(12-22)17(26-18)13-8-10-15(21)11-9-13/h3-11,16-18,24H,2H2,1H3/t16-,17+,18+,20+/m1/s1
SMILES: CCC1=C2C[C@@H]3[C@H]4[C@]([C@H]([C@@H]5[C@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C
InChI: InChI=1S/C18H20O6/c1-4-9-7-5-10-13-17(2,8(7)6-11(19)22-9)15-12(24-15)14(20)18(13,3)16(21)23-10/h6,10,12-15,20H,4-5H2,1-3H3/t10-,12-,13-,14+,15-,17-,18-/m1/s1
SMILES: C[C@@H]1C=C([C@H]2[C@H]([C@@H]1CO[C@@H]2[C@@H]3CCC(=CC3)C)C)C
InChI: InChI=1S/C18H28O/c1-11-5-7-15(8-6-11)18-17-13(3)9-12(2)16(10-19-18)14(17)4/h5,9,12,14-18H,6-8,10H2,1-4H3/t12-,14+,15+,16-,17+,18-/m1/s1
SMILES: B(N1C(=CC=C1/C=C\2/C=CC(=N2)/C=C/C=C/C3=CC=CC=C3)CCC(=O)NC4CC[C@]5([C@H]6CC7=C8[C@]5([C@H]4OC8=C(C=C7)OC)CCN6C)NC(=O)/C=C/C9=CC=C(C=C9)[N+](=O)[O-])(F)F
InChI: InChI=1S/C49H47BF2N6O6/c1-56-29-28-48-45-34-15-23-41(63-2)46(45)64-47(48)40(26-27-49(48,42(56)30-34)55-44(60)24-14-33-12-18-38(19-13-33)58(61)62)54-43(59)25-22-37-20-21-39(57(37)50(51)52)31-36-17-16-35(53-36)11-7-6-10-32-8-4-3-5-9-32/h3-21,23-24,31,40,42,47H,22,25-30H2,1-2H3,(H,54,59)(H,55,60)/b10-6+,11-7+,24-14+,36-31-/t40?,42-,47+,48+,49-/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC/C(=N\O)/C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)NCCCCCCCCCCC(=O)OC
InChI: InChI=1S/C42H70N2O4/c1-29(2)30-20-25-42(37(46)43-28-16-14-12-10-9-11-13-15-17-35(45)48-8)27-26-40(6)31(36(30)42)18-19-33-39(5)23-22-34(44-47)38(3,4)32(39)21-24-41(33,40)7/h30-33,36,47H,1,9-28H2,2-8H3,(H,43,46)/b44-34+/t30-,31+,32-,33+,36+,39-,40+,41+,42-/m0/s1
SMILES: C[C@@]1(C[C@@H]1[C@H]2C[C@@H]2CO)CCC(C3=CC=CS3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C31H40O2SSi/c1-30(2,3)35(24-12-7-5-8-13-24,25-14-9-6-10-15-25)33-28(29-16-11-19-34-29)17-18-31(4)21-27(31)26-20-23(26)22-32/h5-16,19,23,26-28,32H,17-18,20-22H2,1-4H3/t23-,26+,27-,28?,31+/m1/s1
SMILES: B1(OC(C(O1)(C)C)(C)C)CCC/C=C\C[C@H]2[C@H](C[C@H]([C@@H]2/C=C/[C@H](CCC3=CC=CC=C3)O)O)O
InChI: InChI=1S/C28H43BO5/c1-27(2)28(3,4)34-29(33-27)19-11-6-5-10-14-23-24(26(32)20-25(23)31)18-17-22(30)16-15-21-12-8-7-9-13-21/h5,7-10,12-13,17-18,22-26,30-32H,6,11,14-16,19-20H2,1-4H3/b10-5-,18-17+/t22-,23+,24+,25-,26+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OC(=O)C)OCC3=CC4=CC=CC=C4C=C3)COC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC
InChI: InChI=1S/C36H45NO16/c1-18(38)37-29-32(44-7)30(48-21(4)41)27(16-45-19(2)39)51-35(29)53-33-31(49-22(5)42)28(17-46-20(3)40)52-36(34(33)50-23(6)43)47-15-24-12-13-25-10-8-9-11-26(25)14-24/h8-14,27-36H,15-17H2,1-7H3,(H,37,38)/t27-,28-,29-,30-,31-,32+,33+,34-,35+,36-/m1/s1
SMILES: CC[C@H]1C[NH+](CC[C@H]1CC(=O)N[C@H](CC(C)C)CO)CC2=C(C=C(C=C2)OC)O
InChI: InChI=1S/C23H38N2O4/c1-5-17-13-25(14-19-6-7-21(29-4)12-22(19)27)9-8-18(17)11-23(28)24-20(15-26)10-16(2)3/h6-7,12,16-18,20,26-27H,5,8-11,13-15H2,1-4H3,(H,24,28)/p+1/t17-,18-,20+/m0/s1
SMILES: CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H](C=C(O2)COC(=O)C)OC(=O)C
InChI: InChI=1S/C15H17N3O7/c1-8(19)16-13-4-5-18(15(22)17-13)14-12(24-10(3)21)6-11(25-14)7-23-9(2)20/h4-6,12,14H,7H2,1-3H3,(H,16,17,19,22)/t12-,14-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)O
InChI: InChI=1S/C40H51NO15/c1-24(43)41-30-32(46)37(47)40(39(48)50-3,56-34(30)31(45)28(44)19-42)54-23-29-33(51-20-25-13-7-4-8-14-25)35(52-21-26-15-9-5-10-16-26)36(38(49-2)55-29)53-22-27-17-11-6-12-18-27/h4-18,28-38,42,44-47H,19-23H2,1-3H3,(H,41,43)/t28-,29-,30-,31-,32-,33-,34-,35+,36-,37+,38+,40+/m1/s1
SMILES: C[C@H]1[C@@](C(=N)[C@H](C1(C#N)C#N)C#N)([N+](=O)[O-])Cl
InChI: InChI=1S/C9H6ClN5O2/c1-5-8(3-12,4-13)6(2-11)7(14)9(5,10)15(16)17/h5-6,14H,1H3/t5-,6-,9+/m1/s1
SMILES: COC1=CC(=CC2=C1OCO2)C[C@H]3COC(=O)[C@@H]3CC4=CC(=C(C(=C4)OC)OC)OC
InChI: InChI=1S/C23H26O8/c1-25-17-8-14(9-18(26-2)21(17)28-4)6-16-15(11-29-23(16)24)5-13-7-19(27-3)22-20(10-13)30-12-31-22/h7-10,15-16H,5-6,11-12H2,1-4H3/t15-,16+/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OCCC[N+](C)(C)C[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O.[I-]
InChI: InChI=1S/C31H55N3O6.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-29(36)39-21-18-20-34(3,4)24-27-26(35)22-28(40-27)33-23-25(2)30(37)32-31(33)38;/h23,26-28,35H,5-22,24H2,1-4H3;1H/t26-,27+,28+;/m0./s1
SMILES: CCOC(=O)[C@H]1[C@@H](N=C(NC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H17ClN2O3/c1-2-25-19(24)15-16(12-8-10-14(20)11-9-12)21-17(22-18(15)23)13-6-4-3-5-7-13/h3-11,15-16H,2H2,1H3,(H,21,22,23)/t15-,16-/m0/s1
SMILES: CC1=C2[C@](CCC(=O)N2C)(C3CC[C@@]4([C@H](CC[C@H]4C3C1)CC(=O)NC5=C(C=CC=N5)C#N)C)C
InChI: InChI=1S/C28H36N4O2/c1-17-14-20-21-8-7-19(15-23(33)31-26-18(16-29)6-5-13-30-26)27(21,2)11-9-22(20)28(3)12-10-24(34)32(4)25(17)28/h5-6,13,19-22H,7-12,14-15H2,1-4H3,(H,30,31,33)/t19-,20?,21+,22?,27-,28-/m1/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@@H]4[C@]1([C@H](C(=O)O2)N(O4)CC5=CC=CC=C5C=CCC6=CC=CC=C6O)C(=O)NCC7=CC(=CC=C7)C(=O)NCCO)OC8(O3)CC9=CC=CC=C9C8
InChI: InChI=1S/C44H43N3O9/c48-20-19-45-40(50)30-17-7-9-27(21-30)25-46-42(52)44-24-35-36-37(55-43(54-36)22-31-12-2-3-13-32(31)23-43)39(44)56-47(38(44)41(51)53-35)26-33-14-4-1-10-28(33)15-8-16-29-11-5-6-18-34(29)49/h1-15,17-18,21,35-39,48-49H,16,19-20,22-26H2,(H,45,50)(H,46,52)/t35-,36+,37+,38+,39-,44+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC2=CC=CC=C2)O)O[Si](C)(C)C(C)(C)C)O[C@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)CO[C@@H](O4)C5=CC=CC=C5)OCC=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C47H78O11Si3/c1-17-28-49-40-38-34(30-51-42(55-38)33-26-22-19-23-27-33)54-44(41(40)58-61(15,16)47(8,9)10)56-37-35(31-52-59(11,12)45(2,3)4)53-43(50-29-32-24-20-18-21-25-32)36(48)39(37)57-60(13,14)46(5,6)7/h17-27,34-44,48H,1,28-31H2,2-16H3/t34-,35-,36-,37-,38+,39-,40+,41-,42+,43+,44+/m1/s1
SMILES: C1CC2=CC=CC=C2C3(C1)CCN(CC3)[C@@H]4CN(CC[C@H]4O)CC5=CC=CC=C5I
InChI: InChI=1S/C26H33IN2O/c27-23-10-4-2-7-21(23)18-28-15-11-25(30)24(19-28)29-16-13-26(14-17-29)12-5-8-20-6-1-3-9-22(20)26/h1-4,6-7,9-10,24-25,30H,5,8,11-19H2/t24-,25-/m1/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=C4CNC(=O)CCCC(=O)O)CSC5=NN=C(S5)C
InChI: InChI=1S/C34H37N3O6S2/c1-21-29(20-44-34-37-36-22(2)45-34)42-33(43-32(21)25-12-10-23(19-38)11-13-25)26-16-14-24(15-17-26)28-7-4-3-6-27(28)18-35-30(39)8-5-9-31(40)41/h3-4,6-7,10-17,21,29,32-33,38H,5,8-9,18-20H2,1-2H3,(H,35,39)(H,40,41)/t21-,29+,32+,33+/m1/s1
SMILES: CCCCNC1=C2C(=NC(=N1)SCCC)N(N=N2)[C@@H]3C[C@@H]([C@@H]4[C@H]3OC(O4)(C)C)C(=O)N
InChI: InChI=1S/C20H31N7O3S/c1-5-7-8-22-17-13-18(24-19(23-17)31-9-6-2)27(26-25-13)12-10-11(16(21)28)14-15(12)30-20(3,4)29-14/h11-12,14-15H,5-10H2,1-4H3,(H2,21,28)(H,22,23,24)/t11-,12+,14+,15-/m0/s1
SMILES: C/C=C(\CO)/C(=O)OC/C(=C\CO)/C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@@H]([C@@]([C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)(C)OC)O
InChI: InChI=1S/C26H34O10/c1-6-15(11-28)24(31)34-12-16(7-8-27)25(32)35-18-9-13(2)17-10-19(29)26(4,33-5)21(17)22-20(18)14(3)23(30)36-22/h6-7,17-22,27-29H,2-3,8-12H2,1,4-5H3/b15-6+,16-7+/t17-,18+,19-,20+,21-,22-,26+/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N[C@]2([C@@H](C(=C)NC2=O)C#N)C(F)(F)F
InChI: InChI=1S/C15H13F3N4O4S/c1-8-12(7-19)14(13(24)20-8,15(16,17)18)22-27(25,26)11-5-3-10(4-6-11)21-9(2)23/h3-6,12,22H,1H2,2H3,(H,20,24)(H,21,23)/t12-,14+/m1/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=C(C=CC5=CC=CC=C54)O)C(=O)C=C(C3=O)Br)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC(=CC=C7)[N+](=O)[O-]
InChI: InChI=1S/C32H21BrN2O7/c33-23-14-25(37)28-22(30(23)38)13-21-19(29(28)27-18-7-2-1-4-15(18)8-11-24(27)36)9-10-20-26(21)32(40)34(31(20)39)16-5-3-6-17(12-16)35(41)42/h1-9,11-12,14,20-21,26,29,36H,10,13H2/t20-,21+,26-,29+/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@@](COCOC)(C(=O)OC)NC(=O)C2=CC=CC=C2)CC=O)C
InChI: InChI=1S/C20H27NO8/c1-19(2)28-15(10-11-22)16(29-19)20(18(24)26-4,12-27-13-25-3)21-17(23)14-8-6-5-7-9-14/h5-9,11,15-16H,10,12-13H2,1-4H3,(H,21,23)/t15-,16+,20+/m1/s1
SMILES: CN1C(=O)[C@]2(CC3=CC=CC=C3N4[C@H]2CN(CC4)C5=CC=C(C=C5)OC)C(=O)NC1=O
InChI: InChI=1S/C23H24N4O4/c1-25-21(29)23(20(28)24-22(25)30)13-15-5-3-4-6-18(15)27-12-11-26(14-19(23)27)16-7-9-17(31-2)10-8-16/h3-10,19H,11-14H2,1-2H3,(H,24,28,30)/t19-,23-/m0/s1
SMILES: C1[C@H]([C@@H](C(=O)N1)C(=O)N/N=C\C2=CC=CC=C2Cl)C3=CC=CC=C3
InChI: InChI=1S/C18H16ClN3O2/c19-15-9-5-4-8-13(15)10-21-22-18(24)16-14(11-20-17(16)23)12-6-2-1-3-7-12/h1-10,14,16H,11H2,(H,20,23)(H,22,24)/b21-10-/t14-,16-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1C(=C)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C
InChI: InChI=1S/C21H30O2/c1-13-11-15-16(19(2)8-5-14(22)12-18(13)19)6-9-20(3)17(15)7-10-21(20,4)23/h12,15-17,23H,1,5-11H2,2-4H3/t15-,16+,17+,19-,20+,21+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)C5=CC=CC=C5)CN(C)CC6=CC=CC=C6
InChI: InChI=1S/C41H42N2O4/c1-29-38(27-43(2)26-30-11-5-3-6-12-30)46-41(47-39(29)33-21-19-31(28-44)20-22-33)37-18-10-17-36(24-37)35-16-9-13-32(23-35)25-42-40(45)34-14-7-4-8-15-34/h3-24,29,38-39,41,44H,25-28H2,1-2H3,(H,42,45)/t29-,38+,39+,41+/m1/s1
SMILES: CN(C)CC1=CN(N=N1)C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NC4CCCC4
InChI: InChI=1S/C19H32N6O/c1-23(2)10-16-11-25(22-21-16)12-17-9-14-7-8-24(17)13-18(14)19(26)20-15-5-3-4-6-15/h11,14-15,17-18H,3-10,12-13H2,1-2H3,(H,20,26)/t14-,17-,18+/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H](O1)OCC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12-/m0/s1
SMILES: C[C@@]12CC[C@@](C1(C)C)(OC2=O)C(=O)O[C@H]3[C@H](C(OC4=C3C5=C(C=C4)C(=O)C(=CO5)C6=CC=CC=C6)(C)C)O
InChI: InChI=1S/C30H30O8/c1-27(2)24(32)23(36-26(34)30-14-13-29(5,25(33)38-30)28(30,3)4)20-19(37-27)12-11-17-21(31)18(15-35-22(17)20)16-9-7-6-8-10-16/h6-12,15,23-24,32H,13-14H2,1-5H3/t23-,24-,29+,30-/m1/s1
SMILES: C/C(=C\C(=O)OC)/CC[C@H]1C(=C)[C@@H](C[C@@H]2[C@@]1(CCCC2(C)C)C)OC=O
InChI: InChI=1S/C22H34O4/c1-15(12-20(24)25-6)8-9-17-16(2)18(26-14-23)13-19-21(3,4)10-7-11-22(17,19)5/h12,14,17-19H,2,7-11,13H2,1,3-6H3/b15-12+/t17-,18+,19-,22+/m0/s1
SMILES: C1[C@@H]2[C@@H]3[C@H]([C@H]([NH+]2CS1)/C=C/C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C22H19ClN2O2S/c23-15-7-9-16(10-8-15)25-21(26)19-17(11-6-14-4-2-1-3-5-14)24-13-28-12-18(24)20(19)22(25)27/h1-11,17-20H,12-13H2/p+1/b11-6+/t17-,18-,19+,20-/m1/s1
SMILES: C[C@@H](C(=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O
InChI: InChI=1S/C12H15NO4/c1-5(12(16)17)13-10(14)8-6-2-3-7(4-6)9(8)11(13)15/h5-9H,2-4H2,1H3,(H,16,17)/p-1/t5-,6-,7-,8-,9-/m0/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC5=CC=CC(=N5)C)OCC=C)CCCCO)CCCCO)C(=O)C6=CC7=C(C=C6)OCO7
InChI: InChI=1S/C49H63N3O9/c1-7-22-52(47(55)34-18-20-42-43(27-34)58-31-57-42)44-29-40(51-61-48(4,5)6)38-26-33(15-9-11-23-53)37(17-10-12-24-54)45-39-28-36(56-30-35-16-13-14-32(3)50-35)19-21-41(39)60-49(44,46(38)45)59-25-8-2/h8,13-14,16,18-21,26-28,33,37,44-46,53-54H,2,7,9-12,15,17,22-25,29-31H2,1,3-6H3/t33-,37+,44-,45+,46+,49+/m0/s1
SMILES: CC(=O)[C@H]1[C@H](C(=C(C[C@@]1(C)O)NC2=CC=C(C=C2)Br)C(=O)C)C3=CC=CC=C3
InChI: InChI=1S/C23H24BrNO3/c1-14(26)20-19(25-18-11-9-17(24)10-12-18)13-23(3,28)22(15(2)27)21(20)16-7-5-4-6-8-16/h4-12,21-22,25,28H,13H2,1-3H3/t21-,22-,23+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC3=C(C=C2)N([C@H](C3)C)S(=O)(=O)C
InChI: InChI=1S/C20H28N2O5S/c1-13-6-4-5-7-17(13)21-19(23)12-27-20(24)15-8-9-18-16(11-15)10-14(2)22(18)28(3,25)26/h8-9,11,13-14,17H,4-7,10,12H2,1-3H3,(H,21,23)/t13-,14+,17-/m1/s1
SMILES: CN(CC1=CC=CC=C1)C(=O)N2[C@H]3[C@@H](C=C[C@H]3OC2=O)NS(=O)(=O)CC[Si](C)(C)C
InChI: InChI=1S/C20H29N3O5SSi/c1-22(14-15-8-6-5-7-9-15)19(24)23-18-16(10-11-17(18)28-20(23)25)21-29(26,27)12-13-30(2,3)4/h5-11,16-18,21H,12-14H2,1-4H3/t16-,17-,18+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)N(CC(=O)NC(CO)CO)CC(=O)O)N(CC(=O)NC(CO)CO)CC(=O)O
InChI: InChI=1S/C20H36N4O10/c25-9-13(10-26)21-17(29)5-23(7-19(31)32)15-3-1-2-4-16(15)24(8-20(33)34)6-18(30)22-14(11-27)12-28/h13-16,25-28H,1-12H2,(H,21,29)(H,22,30)(H,31,32)(H,33,34)/t15-,16-/m1/s1