EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2=CC=CC=C2)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChI: InChI=1S/C55H97NO9/c1-4-7-10-13-16-19-21-24-27-30-36-41-49(58)56-52-54(53(61)48(44-57)64-55(52)62-45-46-38-33-32-34-39-46)65-51(60)43-47(40-35-29-26-23-18-15-12-9-6-3)63-50(59)42-37-31-28-25-22-20-17-14-11-8-5-2/h32-34,38-39,47-48,52-55,57,61H,4-31,35-37,40-45H2,1-3H3,(H,56,58)/t47-,48-,52-,53-,54-,55-/m1/s1
SMILES: C[C@H]1CC(=O)[C@@]1(C2(CCC(CC2)C(C)(C)C)OC)O[Si](C)(C)C
InChI: InChI=1S/C19H36O3Si/c1-14-13-16(20)19(14,22-23(6,7)8)18(21-5)11-9-15(10-12-18)17(2,3)4/h14-15H,9-13H2,1-8H3/t14-,15?,18?,19-/m0/s1
SMILES: CC/C=C(\C)/[C@]1([C@H]([C@H](O[C@@H]1OC)CO)OCC2=CC=CC=C2)C
InChI: InChI=1S/C19H28O4/c1-5-9-14(2)19(3)17(16(12-20)23-18(19)21-4)22-13-15-10-7-6-8-11-15/h6-11,16-18,20H,5,12-13H2,1-4H3/b14-9+/t16-,17+,18+,19+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=NC=N3)SCC4=CC=CC=C4)N=C2NC5CCCC5)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H33N5O7S/c1-16(34)37-13-21-23(38-17(2)35)24(39-18(3)36)27(40-21)33-25-22(32-28(33)31-20-11-7-8-12-20)26(30-15-29-25)41-14-19-9-5-4-6-10-19/h4-6,9-10,15,20-21,23-24,27H,7-8,11-14H2,1-3H3,(H,31,32)/t21-,23-,24-,27-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCC(COCC(COP(=O)(O)O)O)O)C)C
InChI: InChI=1S/C33H59O8P/c1-22(2)7-6-8-23(3)29-11-12-30-28-10-9-24-17-27(13-15-32(24,4)31(28)14-16-33(29,30)5)40-20-25(34)18-39-19-26(35)21-41-42(36,37)38/h9,22-23,25-31,34-35H,6-8,10-21H2,1-5H3,(H2,36,37,38)/t23-,25?,26?,27+,28+,29-,30+,31+,32+,33-/m1/s1
SMILES: CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@@H](O3)CO)[NH3+])O
InChI: InChI=1S/C12H18N6O3/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(20)7(13)6(3-19)21-12/h4-7,9,12,19-20H,3,13H2,1-2H3/p+1/t6-,7+,9-,12+/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2C=C[C@@H]([C@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C34H34O4/c1-5-13-27(14-6-1)23-35-31-21-22-32(36-24-28-15-7-2-8-16-28)34(38-26-30-19-11-4-12-20-30)33(31)37-25-29-17-9-3-10-18-29/h1-22,31-34H,23-26H2/t31-,32+,33+,34-
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C16H15NO4/c18-14-12-9-1-2-10(7-9)13(12)15(19)17(14)11-5-3-8(4-6-11)16(20)21/h3-6,9-10,12-13H,1-2,7H2,(H,20,21)/t9-,10+,12-,13-/m1/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H](CN3CC[C@@H]([C@@H](C3)F)NCC4=CC5=C(C=C4)SN=N5)O
InChI: InChI=1S/C24H26FN5O2S/c1-32-16-3-4-20-18(11-16)17(6-8-26-20)23(31)14-30-9-7-21(19(25)13-30)27-12-15-2-5-24-22(10-15)28-29-33-24/h2-6,8,10-11,19,21,23,27,31H,7,9,12-14H2,1H3/t19-,21+,23+/m1/s1
SMILES: C/C/1=C/CC[C@@]([C@@H]2C[C@H](CC/C(=C\CC1)/C)C(=C)C(=O)O2)(C)O
InChI: InChI=1S/C20H30O3/c1-14-7-5-8-15(2)10-11-17-13-18(23-19(21)16(17)3)20(4,22)12-6-9-14/h8-9,17-18,22H,3,5-7,10-13H2,1-2,4H3/b14-9-,15-8-/t17-,18-,20+/m0/s1
SMILES: CC[Si](CC)(CC)OCC[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](C2CCCCC2)OC3CCCCO3)OC4CCCCO4)O[Si](CC)(CC)CC
InChI: InChI=1S/C38H74O6Si2/c1-7-45(8-2,9-3)41-29-26-33-32(24-25-34(31-20-14-13-15-21-31)42-37-22-16-18-27-39-37)35(43-38-23-17-19-28-40-38)30-36(33)44-46(10-4,11-5)12-6/h31-38H,7-30H2,1-6H3/t32-,33-,34-,35-,36+,37?,38?/m1/s1
SMILES: CC(=O)O[C@H]1C=CC[C@@H]([C@H]1[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C10H13NO6/c1-6(12)17-8-5-3-4-7(10(13)16-2)9(8)11(14)15/h3,5,7-9H,4H2,1-2H3/t7-,8-,9+/m0/s1
SMILES: C[C@@H]1C(=O)C[C@]23CC(=O)OCC1([C@]2([C@H](C[C@]3(C)O)O)O)C
InChI: InChI=1S/C15H22O6/c1-8-9(16)4-14-6-11(18)21-7-12(8,2)15(14,20)10(17)5-13(14,3)19/h8,10,17,19-20H,4-7H2,1-3H3/t8-,10+,12?,13+,14-,15+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4
InChI: InChI=1S/C20H27N5OS/c1-13-5-3-7-17(14(13)2)22-18(26)12-27-20-24-23-19(25(20)16-8-9-16)15-6-4-10-21-11-15/h4,6,10-11,13-14,16-17H,3,5,7-9,12H2,1-2H3,(H,22,26)/t13-,14+,17-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=C(C=C(C=C6)OC)OC)C(=O)CC7=CC(=C(C=C7)OC)OC)O)C(=C5)C(=O)CC8=C(C=CC=C8Cl)F)O)C
InChI: InChI=1S/C49H57ClFNO8/c1-45-17-14-32(53)26-47(45)20-21-49(35(27-47)38(54)25-34-36(50)8-7-9-37(34)51)42(45)15-18-46(2)43(49)16-19-48(46,56)29-52(28-31-11-12-33(57-3)24-40(31)59-5)44(55)23-30-10-13-39(58-4)41(22-30)60-6/h7-13,20-22,24,27,32,42-43,53,56H,14-19,23,25-26,28-29H2,1-6H3/t32?,42-,43-,45-,46+,47+,48-,49-/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC=C(O8)CO)C(=O)N(C7=O)C9=CC=C(C=C9)Br)C
InChI: InChI=1S/C39H32BrClN4O6S/c1-18-25-14-20(41)6-13-30(25)52-34(18)28-16-31(43(3)42-28)45-36(48)27-15-26-23(33(39(27,2)38(45)50)29-12-9-22(17-46)51-29)10-11-24-32(26)37(49)44(35(24)47)21-7-4-19(40)5-8-21/h4-10,12-14,16,24,26-27,32-33,46H,11,15,17H2,1-3H3/t24-,26+,27-,32-,33+,39+/m0/s1
SMILES: CCSC1=NN2[C@@H]([C@H]3C(=O)CCC=C3NC2=N1)C4=C(C=CC(=C4)[N+](=O)[O-])Cl
InChI: InChI=1S/C17H16ClN5O3S/c1-2-27-17-20-16-19-12-4-3-5-13(24)14(12)15(22(16)21-17)10-8-9(23(25)26)6-7-11(10)18/h4,6-8,14-15H,2-3,5H2,1H3,(H,19,20,21)/t14-,15-/m1/s1
SMILES: COC(=O)N1C2=CC=CC=C2[C@@]34C1=C[C@H]([C@H]5[C@@H]3N(CCC5)C(=O)C4)O
InChI: InChI=1S/C19H20N2O4/c1-25-18(24)21-13-7-3-2-6-12(13)19-10-16(23)20-8-4-5-11(17(19)20)14(22)9-15(19)21/h2-3,6-7,9,11,14,17,22H,4-5,8,10H2,1H3/t11-,14+,17-,19-/m0/s1
SMILES: C[C@H]1CC[C@H](N([C@@H]1C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)/C(=N/O[C@H](C)C4=CN(N=N4)[C@@H](CC5=CC=CC=C5)CO)/C)C(=O)OC
InChI: InChI=1S/C37H43N5O5/c1-24-11-14-30(15-12-24)35-25(2)13-20-34(37(45)46-5)42(35)36(44)31-18-16-29(17-19-31)26(3)39-47-27(4)33-22-41(40-38-33)32(23-43)21-28-9-7-6-8-10-28/h6-12,14-19,22,25,27,32,34-35,43H,13,20-21,23H2,1-5H3/b39-26+/t25-,27+,32-,34-,35-/m0/s1
SMILES: COC(=O)C(=O)C[C@H]1[C@H]2C3=C(C(=C(C=C3C(=O)O[C@@H]4[C@@H]5[C@@H]([C@@H](COC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O5)O)O)O)O)O)O)O[C@H]4OC(=O)C8=CC(=C(C(=C8)O)O)O)OC1=O)O)O)OC2=O
InChI: InChI=1S/C42H30O27/c1-62-40(60)19(48)7-13-24-23-12(6-18(47)28(52)32(23)66-41(24)61)38(58)68-34-33-31(65-39(13)59)20(64-42(34)69-35(55)9-2-14(43)25(49)15(44)3-9)8-63-36(56)10-4-16(45)26(50)29(53)21(10)22-11(37(57)67-33)5-17(46)27(51)30(22)54/h2-6,13,20,24,31,33-34,42-47,49-54H,7-8H2,1H3/t13-,20+,24-,31+,33-,34+,42-/m0/s1
SMILES: CCC(=O)O[C@@H]([C@@H]1C[C@H]2CC[NH+]1C[C@@H]2C=C)C3=C4C=C(C=CC4=NC=C3)OC
InChI: InChI=1S/C23H28N2O3/c1-4-15-14-25-11-9-16(15)12-21(25)23(28-22(26)5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21,23H,1,5,9,11-12,14H2,2-3H3/p+1/t15-,16+,21-,23+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NNC(=N2)C3=CC=CC=C3F
InChI: InChI=1S/C19H25FN4OS/c1-11-7-6-10-16(12(11)2)21-18(25)13(3)26-19-22-17(23-24-19)14-8-4-5-9-15(14)20/h4-5,8-9,11-13,16H,6-7,10H2,1-3H3,(H,21,25)(H,22,23,24)/t11-,12+,13+,16-/m0/s1
SMILES: C1=CC=C(C=C1)C(=C2[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)CC5=CC=CO5)C6=CC=CC=C6
InChI: InChI=1S/C27H21NO3/c29-26-24-20-13-14-21(25(24)27(30)28(26)16-19-12-7-15-31-19)23(20)22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-15,20-21,24-25H,16H2/t20-,21+,24-,25+
SMILES: CC[C@]1([C@H]2[C@@]1(C(=O)OC2(C)C)C(=O)OCC)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H26O5/c1-5-24(20-23(3,4)30-22(28)25(20,24)21(27)29-6-2)19(26)18-14-12-17(13-15-18)16-10-8-7-9-11-16/h7-15,20H,5-6H2,1-4H3/t20-,24+,25-/m0/s1
SMILES: C=CCCCO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C11H20O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h2,7-15H,1,3-6H2/t7-,8+,9+,10-,11+/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)N3CC(=O)NC4=CC=CC=C43
InChI: InChI=1S/C18H17N3O4/c22-15-9-20(14-8-4-3-7-13(14)19-15)16(23)10-21-17(24)11-5-1-2-6-12(11)18(21)25/h1-4,7-8,11-12H,5-6,9-10H2,(H,19,22)/t11-,12+
SMILES: C1=CC=C(C=C1)S(=O)(=O)/C=C\2/[C@@H]3C=C[C@H]([C@@H]2S(=O)(=O)C4=CC=CC=C4)O3
InChI: InChI=1S/C19H16O5S2/c20-25(21,14-7-3-1-4-8-14)13-16-17-11-12-18(24-17)19(16)26(22,23)15-9-5-2-6-10-15/h1-13,17-19H/b16-13-/t17-,18+,19+/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C#CI)O)O)N
InChI: InChI=1S/C11H10IN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h3-5,7-8,11,18-19H,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
SMILES: C[C@@H]1[C@@H](OC(N1C(=O)OC(C)(C)C)(C)C)[C@@H](C)[C@@H]([C@H](C)C=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H47NO4Si/c1-15-16(2)19(29-30(13,14)23(8,9)10)17(3)20-18(4)25(24(11,12)27-20)21(26)28-22(5,6)7/h15-20H,1H2,2-14H3/t16-,17+,18-,19-,20+/m1/s1
SMILES: CCC1(O[C@H]([C@@H](O1)C2=N[C@H](CO2)C(C)C)C3=N[C@H](CO3)C(C)C)CC
InChI: InChI=1S/C19H32N2O4/c1-7-19(8-2)24-15(17-20-13(9-22-17)11(3)4)16(25-19)18-21-14(10-23-18)12(5)6/h11-16H,7-10H2,1-6H3/t13-,14-,15-,16-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)C3=C(C(=NN3)C#N)N)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C30H30N4O4/c31-16-24-26(32)27(34-33-24)29-30(37-19-23-14-8-3-9-15-23)28(36-18-22-12-6-2-7-13-22)25(38-29)20-35-17-21-10-4-1-5-11-21/h1-15,25,28-30H,17-20,32H2,(H,33,34)/t25-,28-,29+,30-/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)CNC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CN5CCC6(CC5)C(=O)NCN6C7=CC=CC=C7
InChI: InChI=1S/C40H39F5N4O5/c1-23-29(20-48-17-15-40(16-18-48)39(52)47-22-49(40)28-5-3-2-4-6-28)53-38(54-36(23)26-11-9-25(21-50)10-12-26)27-13-7-24(8-14-27)19-46-37(51)30-31(41)33(43)35(45)34(44)32(30)42/h2-14,23,29,36,38,50H,15-22H2,1H3,(H,46,51)(H,47,52)/t23-,29+,36+,38+/m0/s1
SMILES: C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)OS(=O)(=O)C(F)(F)F)(C)C(=O)OC
InChI: InChI=1S/C19H23F3O5S/c1-17-9-4-10-18(2,16(23)26-3)15(17)8-6-12-5-7-13(11-14(12)17)27-28(24,25)19(20,21)22/h5,7,11,15H,4,6,8-10H2,1-3H3/t15-,17-,18+/m1/s1
SMILES: CCC(C)CC(C)/C=C/C(=O)O[C@@H]1[C@H]([C@@]2(O[C@@H]([C@]([C@]1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)CCC(=C)C(C(C)CC3=CC=CC=C3)O)OC(C)(C)OC
InChI: InChI=1S/C49H76O14/c1-18-30(2)28-31(3)24-25-35(50)57-38-37(58-46(15,16)56-17)47(27-26-32(4)36(51)33(5)29-34-22-20-19-21-23-34)59-39(40(52)60-43(6,7)8)48(55,41(53)61-44(9,10)11)49(38,63-47)42(54)62-45(12,13)14/h19-25,30-31,33,36-39,51,55H,4,18,26-29H2,1-3,5-17H3/b25-24+/t30?,31?,33?,36?,37-,38-,39-,47-,48-,49-/m1/s1
SMILES: CCCNC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)CCON=C[C@H]([C@H](C)C=CCC(=O)OC)OC)OC2=CC=C(C=C2)OC
InChI: InChI=1S/C29H42N2O9/c1-6-17-30-29(33)37-20-27-25(39-23-12-10-22(34-3)11-13-23)15-14-24(40-27)16-18-38-31-19-26(35-4)21(2)8-7-9-28(32)36-5/h7-8,10-15,19,21,24-27H,6,9,16-18,20H2,1-5H3,(H,30,33)/t21-,24+,25+,26-,27-/m1/s1
SMILES: C1C=C(C[C@@H]2[C@H]1C(=O)N(C2=O)CC(=O)NC3=CC(=C(C=C3)Cl)Cl)Cl
InChI: InChI=1S/C16H13Cl3N2O3/c17-8-1-3-10-11(5-8)16(24)21(15(10)23)7-14(22)20-9-2-4-12(18)13(19)6-9/h1-2,4,6,10-11H,3,5,7H2,(H,20,22)/t10-,11+/m0/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CC3)CS(=O)(=O)C4=CC=CC=C4)C(=O)NC(CC5CC5)C(=O)C(=O)N)C
InChI: InChI=1S/C32H45N5O7S/c1-30(2,3)25(35-29(42)36-32(13-14-32)17-45(43,44)19-9-7-6-8-10-19)28(41)37-16-20-22(31(20,4)5)23(37)27(40)34-21(15-18-11-12-18)24(38)26(33)39/h6-10,18,20-23,25H,11-17H2,1-5H3,(H2,33,39)(H,34,40)(H2,35,36,42)/t20-,21?,22-,23-,25+/m0/s1
SMILES: COC1=CC=CC(=C1)C(=O)N2CC[C@@]3(CCCC[C@H]3[C@H]2C4=CC=CC=C4)Cl
InChI: InChI=1S/C23H26ClNO2/c1-27-19-11-7-10-18(16-19)22(26)25-15-14-23(24)13-6-5-12-20(23)21(25)17-8-3-2-4-9-17/h2-4,7-11,16,20-21H,5-6,12-15H2,1H3/t20-,21+,23+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)N2C=NC3C2N=CN=C3N)CN(C)C
InChI: InChI=1S/C24H48N6O3Si2/c1-23(2,3)34(9,10)32-18-16(13-29(7)8)31-22(19(18)33-35(11,12)24(4,5)6)30-15-28-17-20(25)26-14-27-21(17)30/h14-19,21-22H,13H2,1-12H3,(H2,25,26,27)/t16-,17?,18-,19-,21?,22-/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C23H24F3N3O2/c1-13-18(20(30)28-17-7-5-6-16(12-17)23(24,25)26)19(29-21(31)27-13)14-8-10-15(11-9-14)22(2,3)4/h5-12,18-19H,1H2,2-4H3,(H,28,30)(H2,27,29,31)/t18-,19+/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN)CSC4=NC=NN4
InChI: InChI=1S/C22H26N4O3S/c1-14-19(12-30-22-24-13-25-26-22)28-21(18-8-2-15(10-23)3-9-18)29-20(14)17-6-4-16(11-27)5-7-17/h2-9,13-14,19-21,27H,10-12,23H2,1H3,(H,24,25,26)/t14-,19+,20+,21?/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)OC(F)(F)F)O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)Cl
InChI: InChI=1S/C39H27Cl2F3N2O6/c40-21-9-11-23(12-10-21)45-34(48)27-15-14-26-28(32(27)36(45)50)19-30-35(49)46(24-8-4-7-22(41)17-24)37(51)38(30,20-5-2-1-3-6-20)33(26)29-18-25(13-16-31(29)47)52-39(42,43)44/h1-14,16-18,27-28,30,32-33,47H,15,19H2/t27-,28+,30-,32-,33+,38+/m0/s1
SMILES: CCCCC[C@@H]1C=C[C@H]([C@@H](N1C(=O)OCC2=CC=CC=C2)CCCOCC3=CC=CC=C3)C
InChI: InChI=1S/C29H39NO3/c1-3-4-7-17-27-20-19-24(2)28(18-12-21-32-22-25-13-8-5-9-14-25)30(27)29(31)33-23-26-15-10-6-11-16-26/h5-6,8-11,13-16,19-20,24,27-28H,3-4,7,12,17-18,21-23H2,1-2H3/t24-,27-,28+/m1/s1
SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)[C@H]3[C@H](O3)C4=CC=CC=C4Cl
InChI: InChI=1S/C22H17ClO3/c23-18-12-6-4-10-16(18)21-22(26-21)20(24)17-11-5-7-13-19(17)25-14-15-8-2-1-3-9-15/h1-13,21-22H,14H2/t21-,22+/m1/s1
SMILES: C1CN2CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@@]16[C@H]5N([C@H]7[C@@H]8[C@H]9C[C@H]1[C@@]2([C@H]8N4C3=CC=CC=C32)CCN1CC9=CCO7)C1=CC=CC=C61
InChI: InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1
SMILES: CN1C2=CC(=C(C=C2C(=C1Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)Cl
InChI: InChI=1S/C14H14Cl3NO4/c1-18-8-3-7(16)6(15)2-5(8)10(14(18)17)13-12(21)11(20)9(4-19)22-13/h2-3,9,11-13,19-21H,4H2,1H3/t9-,11-,12-,13+/m1/s1
SMILES: CC1=C(S[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O1)COCC3=CC=CC=C3)OCC4=CC=CC=C4)O)C(=O)C
InChI: InChI=1S/C25H28O6S/c1-16(26)23-17(2)30-25-24(32-23)21(27)22(29-14-19-11-7-4-8-12-19)20(31-25)15-28-13-18-9-5-3-6-10-18/h3-12,20-22,24-25,27H,13-15H2,1-2H3/t20-,21+,22-,24+,25-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCC3=CC=CS3)C(=O)NC4=CC=C(C=C4)OC)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(C=C6)OC)C
InChI: InChI=1S/C44H52N2O6S/c1-30-7-5-23-43(2)40(38-20-10-31(27-34(47)15-9-30)28-39(38)41(48)32-11-16-35(51-3)17-12-32)21-24-44(43,50)29-46(25-22-37-8-6-26-53-37)42(49)45-33-13-18-36(52-4)19-14-33/h6-8,10-14,16-20,26,28,34,40,47,50H,5,9,15,21-25,27,29H2,1-4H3,(H,45,49)/t34-,40-,43-,44+/m0/s1
SMILES: C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]([C@@H](N2[C@@H]([C@]13C4=C(C=CC(=C4)C#CCNC(=O)N)NC3=O)C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C42H39N5O7/c1-2-21-44-38(49)33-35-39(50)54-36(28-13-7-4-8-14-28)34(27-11-5-3-6-12-27)47(35)37(29-16-18-30(19-17-29)53-24-23-48)42(33)31-25-26(10-9-22-45-41(43)52)15-20-32(31)46-40(42)51/h2-8,11-20,25,33-37,48H,1,21-24H2,(H,44,49)(H,46,51)(H3,43,45,52)/t33-,34-,35-,36+,37+,42-/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Cl)C)C5=CC=C(C=C5)C(=O)OC)CCOCCOCCO
InChI: InChI=1S/C37H39ClN2O10/c1-4-49-37-28(13-15-47-17-18-48-16-14-41)29(23-5-7-24(8-6-23)36(45)46-3)21-32(50-37)33(42)39-26-10-12-31(22(2)19-26)40-34(43)27-11-9-25(38)20-30(27)35(40)44/h5-12,19-21,28-29,37,41H,4,13-18H2,1-3H3,(H,39,42)/t28-,29-,37-/m0/s1
SMILES: C[C@@H]1[C@]([N+]2=C(N1C3=CC=CC=C3)SCCC2)(C4=C(C=C(C=C4)OC)F)O
InChI: InChI=1S/C20H22FN2O2S/c1-14-20(24,17-10-9-16(25-2)13-18(17)21)22-11-6-12-26-19(22)23(14)15-7-4-3-5-8-15/h3-5,7-10,13-14,24H,6,11-12H2,1-2H3/q+1/t14-,20-/m1/s1
SMILES: CC(=O)N[C@H](CS(=O)(=O)C1=CC=CC2=C1N=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CN4C[C@H]5CCCC[C@H]5C[C@H]4C(=O)NC(C)(C)C)O
InChI: InChI=1S/C38H51N5O6S/c1-25(44)40-31(24-50(48,49)34-18-10-16-27-17-11-19-39-35(27)34)36(46)41-30(20-26-12-6-5-7-13-26)33(45)23-43-22-29-15-9-8-14-28(29)21-32(43)37(47)42-38(2,3)4/h5-7,10-13,16-19,28-33,45H,8-9,14-15,20-24H2,1-4H3,(H,40,44)(H,41,46)(H,42,47)/t28-,29+,30-,31+,32-,33+/m0/s1
SMILES: CC1(O[C@@H]2CN([C@@H]([C@@H]2O1)CC=O)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C14H23NO5/c1-13(2,3)20-12(17)15-8-10-11(9(15)6-7-16)19-14(4,5)18-10/h7,9-11H,6,8H2,1-5H3/t9-,10-,11+/m1/s1
SMILES: CCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C22H37N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-18(27)23-17-13-14-25(22(30)24-17)21-20(29)19(28)16(15-26)31-21/h13-14,16,19-21,26,28-29H,2-12,15H2,1H3,(H,23,24,27,30)/t16-,19-,20+,21-/m1/s1
SMILES: C1CC(=O)[C@@H]2[C@H](C3=C(NC2=C1)NN(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br
InChI: InChI=1S/C22H18BrN3O2/c23-14-11-9-13(10-12-14)18-19-16(7-4-8-17(19)27)24-21-20(18)22(28)26(25-21)15-5-2-1-3-6-15/h1-3,5-7,9-12,18-19,24-25H,4,8H2/t18-,19-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=O)C)C(=O)O)OC(=O)C
InChI: InChI=1S/C14H18O11/c1-5(15)21-9-10(22-6(2)16)12(23-7(3)17)14(24-8(4)18)25-11(9)13(19)20/h9-12,14H,1-4H3,(H,19,20)/t9-,10-,11-,12+,14+/m0/s1
SMILES: COC1=CC=CC(=C1)NC(=O)N[C@H]2CCN([C@@H]2C(=O)N[C@@H](CC3=CC=CS3)C(=O)N)C(=O)C4=CC=CO4
InChI: InChI=1S/C25H27N5O6S/c1-35-16-6-2-5-15(13-16)27-25(34)29-18-9-10-30(24(33)20-8-3-11-36-20)21(18)23(32)28-19(22(26)31)14-17-7-4-12-37-17/h2-8,11-13,18-19,21H,9-10,14H2,1H3,(H2,26,31)(H,28,32)(H2,27,29,34)/t18-,19-,21-/m0/s1
SMILES: C1CCN2[C@@H](C1)[C@@]3(CC4=CC=CC=C42)C(=O)NC(=S)N(C3=O)C5CC5
InChI: InChI=1S/C19H21N3O2S/c23-16-19(17(24)22(13-8-9-13)18(25)20-16)11-12-5-1-2-6-14(12)21-10-4-3-7-15(19)21/h1-2,5-6,13,15H,3-4,7-11H2,(H,20,23,25)/t15-,19-/m0/s1
SMILES: COCCN1C(=O)[C@@H]2[C@H](N[C@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)CCC(=O)N
InChI: InChI=1S/C19H22N4O5/c1-28-9-8-23-16(25)14-12(6-7-13(20)24)22-19(15(14)17(23)26)10-4-2-3-5-11(10)21-18(19)27/h2-5,12,14-15,22H,6-9H2,1H3,(H2,20,24)(H,21,27)/t12-,14-,15+,19+/m1/s1
SMILES: C[C@]12C[C@H]([C@@H](C(=O)N1CCC3=CC(=C(C=C3)OC)OC)C(=O)[O-])C4=CC=CC=C4O2
InChI: InChI=1S/C23H25NO6/c1-23-13-16(15-6-4-5-7-17(15)30-23)20(22(26)27)21(25)24(23)11-10-14-8-9-18(28-2)19(12-14)29-3/h4-9,12,16,20H,10-11,13H2,1-3H3,(H,26,27)/p-1/t16-,20-,23-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)SC)OCC4=CC=C(C=C4)OC)O)O
InChI: InChI=1S/C31H40O6SSi/c1-31(2,3)39(24-12-8-6-9-13-24,25-14-10-7-11-15-25)36-21-26-27(32)28(33)29(30(37-26)38-5)35-20-22-16-18-23(34-4)19-17-22/h6-19,26-30,32-33H,20-21H2,1-5H3/t26-,27+,28+,29-,30+/m1/s1
SMILES: C[C@@H]\1[C@@H](O[C@@](C/C1=C/[Si](C)(C)C)([C@H](C(=O)OC)OC(=O)C2=CC=CC=C2)O)C
InChI: InChI=1S/C21H30O6Si/c1-14-15(2)27-21(24,12-17(14)13-28(4,5)6)18(20(23)25-3)26-19(22)16-10-8-7-9-11-16/h7-11,13-15,18,24H,12H2,1-6H3/b17-13-/t14-,15+,18+,21+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)C)[C@@H]5[C@@H]([C@@H](CC(=O)O5)C(C)C)OC6CCCCO6
InChI: InChI=1S/C38H60O8/c1-21(2)26-20-33(41)45-35(36(26)46-34-10-8-9-17-42-34)22(3)28-11-12-29-27-19-32(44-24(5)40)31-18-25(43-23(4)39)13-15-38(31,7)30(27)14-16-37(28,29)6/h21-22,25-32,34-36H,8-20H2,1-7H3/t22-,25+,26-,27-,28+,29-,30-,31-,32-,34?,35+,36+,37+,38+/m0/s1
SMILES: CCCCCCCCC(/C=C/C=C/[C@H]1CC=CC[C@@H]1CO[Si](C)(C)C(C)(C)C)OC(=O)C
InChI: InChI=1S/C28H50O3Si/c1-8-9-10-11-12-13-21-27(31-24(2)29)22-17-16-19-25-18-14-15-20-26(25)23-30-32(6,7)28(3,4)5/h14-17,19,22,25-27H,8-13,18,20-21,23H2,1-7H3/b19-16+,22-17+/t25-,26-,27?/m1/s1
SMILES: C1CC[C@H]2C/C(=N\NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5)/CC[C@@H]2C1
InChI: InChI=1S/C25H26N4O/c30-25(29-28-20-10-9-17-5-1-2-6-19(17)15-20)22-16-24(18-11-13-26-14-12-18)27-23-8-4-3-7-21(22)23/h3-4,7-8,11-14,16-17,19H,1-2,5-6,9-10,15H2,(H,29,30)/b28-20-/t17-,19-/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)C(F)(F)S(=O)(=O)O
InChI: InChI=1S/C19H24F2O4S/c1-18-9-8-14-13-5-3-12(19(20,21)26(23,24)25)10-11(13)2-4-15(14)16(18)6-7-17(18)22/h3,5,10,14-17,22H,2,4,6-9H2,1H3,(H,23,24,25)/t14?,15?,16?,17-,18-/m0/s1
SMILES: CC(C)N(C(C)C)P(OC)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)N
InChI: InChI=1S/C37H47N4O7P/c1-25(2)41(26(3)4)49(45-7)48-32-23-35(40-22-21-34(38)39-36(40)42)47-33(32)24-46-37(27-11-9-8-10-12-27,28-13-17-30(43-5)18-14-28)29-15-19-31(44-6)20-16-29/h8-22,25-26,32-33,35H,23-24H2,1-7H3,(H2,38,39,42)/t32-,33+,35+,49?/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)/C(=C\F)/O)O
InChI: InChI=1S/C10H12FN3O4/c11-4-6(16)9-5(15)3-8(18-9)14-2-1-7(12)13-10(14)17/h1-2,4-5,8-9,15-16H,3H2,(H2,12,13,17)/b6-4+/t5-,8+,9-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=C(C(=CC=C4)F)O)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)CCCC(=O)O
InChI: InChI=1S/C38H32FNO7/c39-29-14-7-13-25(35(29)45)33-23-16-17-24-32(37(47)40(36(24)46)18-8-15-31(42)43)27(23)19-28-34(44)26(21-9-3-1-4-10-21)20-30(41)38(28,33)22-11-5-2-6-12-22/h1-7,9-14,16,20,24,27-28,32-33,45H,8,15,17-19H2,(H,42,43)/t24-,27+,28-,32-,33+,38-/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C/C=C\CCCC(=O)OC)C
InChI: InChI=1S/C30H42O5Si/c1-29(2,3)36(24-17-11-9-12-18-24,25-19-13-10-14-20-25)33-23-27-26(34-30(4,5)35-27)21-15-7-8-16-22-28(31)32-6/h7,9-15,17-20,26-27H,8,16,21-23H2,1-6H3/b15-7-/t26-,27-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC)C(C)C
InChI: InChI=1S/C20H28N2O3S/c1-12(2)15-7-5-13(3)9-18(15)25-19(23)11-26-20-21-16-8-6-14(24-4)10-17(16)22-20/h6,8,10,12-13,15,18H,5,7,9,11H2,1-4H3,(H,21,22)/t13-,15-,18-/m1/s1
SMILES: COCCCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCCCO)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3
InChI: InChI=1S/C30H44N2O5/c1-37-21-13-5-11-19-32-27(23-25-16-8-3-9-17-25)29(35)28(34)26(22-24-14-6-2-7-15-24)31(30(32)36)18-10-4-12-20-33/h2-3,6-9,14-17,26-29,33-35H,4-5,10-13,18-23H2,1H3/t26-,27-,28+,29+/m1/s1
SMILES: CC(C)O[Si](C)(C)OC[C@@]1([C@H]2CO[C@H](O2)[C@@H]([C@H]1OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C26H36O7Si/c1-19(2)33-34(3,4)31-18-26(27)22-17-30-25(32-22)23(28-15-20-11-7-5-8-12-20)24(26)29-16-21-13-9-6-10-14-21/h5-14,19,22-25,27H,15-18H2,1-4H3/t22-,23-,24-,25-,26+/m1/s1
SMILES: CC(=O)OC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6
InChI: InChI=1S/C29H22N2O5/c1-17(32)36-21-13-11-20(12-14-21)31-28(34)23-24(29(31)35)26(27(33)19-8-3-2-4-9-19)30-16-15-18-7-5-6-10-22(18)25(23)30/h2-16,23-26H,1H3/t23-,24+,25+,26-/m0/s1
SMILES: C[C@]12C=C[C@]3(O1)[C@@H]([C@@H]2C(=O)NC4=CC=CC=C4)C(=O)N([C@@H]3C(=O)NC5CCCC5)C6=CC=CC=C6F
InChI: InChI=1S/C28H28FN3O4/c1-27-15-16-28(36-27)22(21(27)24(33)30-17-9-3-2-4-10-17)26(35)32(20-14-8-7-13-19(20)29)23(28)25(34)31-18-11-5-6-12-18/h2-4,7-10,13-16,18,21-23H,5-6,11-12H2,1H3,(H,30,33)(H,31,34)/t21-,22+,23-,27-,28+/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@]([C@H]([C@@H]([C@H]1OC(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)(COCC4=CC=CC=C4)O
InChI: InChI=1S/C32H36O8/c1-23(33)39-28-18-32(35,22-36-19-25-12-6-3-7-13-25)31(38-21-27-16-10-5-11-17-27)30(29(28)40-24(2)34)37-20-26-14-8-4-9-15-26/h3-17,28-31,35H,18-22H2,1-2H3/t28-,29-,30+,31-,32-/m0/s1
SMILES: CCOC(=O)/C=C/C(=C\[C@H]1[C@H]([C@H]([C@H](O1)COCOC)OCOC)O)/OCOC
InChI: InChI=1S/C18H30O10/c1-5-25-16(19)7-6-13(26-11-22-3)8-14-17(20)18(27-12-23-4)15(28-14)9-24-10-21-2/h6-8,14-15,17-18,20H,5,9-12H2,1-4H3/b7-6+,13-8+/t14-,15+,17+,18-/m0/s1
SMILES: CCOC(=O)[C@@]12CC3(CC[C@@]14C5=CC6=C(C=C5CCCN4C(=O)[C@@H]2OS(=O)(=O)C)OCO6)OCCO3
InChI: InChI=1S/C24H29NO10S/c1-3-30-21(27)23-13-22(33-9-10-34-22)6-7-24(23)16-12-18-17(31-14-32-18)11-15(16)5-4-8-25(24)20(26)19(23)35-36(2,28)29/h11-12,19H,3-10,13-14H2,1-2H3/t19-,23-,24+/m0/s1
SMILES: CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC[C@@H]5[C@H]4CCCN5
InChI: InChI=1S/C21H24FN3O3/c1-11-18-13(12-4-5-12)9-14(21(27)28)20(26)25(18)10-15(22)19(11)24-8-6-16-17(24)3-2-7-23-16/h9-10,12,16-17,23H,2-8H2,1H3,(H,27,28)/t16-,17-/m1/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)CC(=O)N
InChI: InChI=1S/C19H21FN4O4/c1-2-3-6-24-16(26)14-12(8-13(21)25)23-19(15(14)17(24)27)10-7-9(20)4-5-11(10)22-18(19)28/h4-5,7,12,14-15,23H,2-3,6,8H2,1H3,(H2,21,25)(H,22,28)/p+1/t12-,14+,15-,19+/m0/s1
SMILES: CC1(O[C@H]2CC(=C(C[C@@H]2O1)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4I)C(=O)N(CC5=CC=CC=C5)C6=CC=CC=C6I)C
InChI: InChI=1S/C37H34I2N2O4/c1-37(2)44-33-21-27(35(42)40(23-25-13-5-3-6-14-25)31-19-11-9-17-29(31)38)28(22-34(33)45-37)36(43)41(24-26-15-7-4-8-16-26)32-20-12-10-18-30(32)39/h3-20,33-34H,21-24H2,1-2H3/t33-,34-/m0/s1
SMILES: CCC(=O)N([C@H]1CCN(C[C@H]1C)C[C@H](C2=CC=CC=C2)O)C3=CC=CC=C3
InChI: InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21+,22-/m1/s1
SMILES: B1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C(C4=CC=CC=C4)(C5=CC=CC=C5)OC)/C=C/COCC6=CC=CC=C6
InChI: InChI=1S/C40H39BO5/c1-42-39(33-21-10-4-11-22-33,34-23-12-5-13-24-34)37-38(46-41(45-37)29-18-30-44-31-32-19-8-3-9-20-32)40(43-2,35-25-14-6-15-26-35)36-27-16-7-17-28-36/h3-29,37-38H,30-31H2,1-2H3/b29-18+/t37-,38-/m1/s1