EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1CCCN1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]4C[C@H]4C5=CC=CC=C5
InChI: InChI=1S/C24H32N2O2/c1-16-8-7-13-25(16)24(28)22-14-18-11-5-6-12-21(18)26(22)23(27)20-15-19(20)17-9-3-2-4-10-17/h2-4,9-10,16,18-22H,5-8,11-15H2,1H3/t16?,18-,19-,20+,21-,22-/m0/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCC5=CC=CC(=N5)C)CCCCO)CCCCO)OCC=C)N(C)C(=O)OCCOCC6=CC=CC=C6
InChI: InChI=1S/C47H61N3O9/c1-5-25-57-47-43(50(4)46(53)55-27-26-54-31-34-16-8-7-9-17-34)30-41(49-58-6-2)39-28-35(18-10-12-23-51)38(20-11-13-24-52)44(45(39)47)40-29-37(21-22-42(40)59-47)56-32-36-19-14-15-33(3)48-36/h5,7-9,14-17,19,21-22,28-29,35,38,43-45,51-52H,1,6,10-13,18,20,23-27,30-32H2,2-4H3/t35-,38+,43-,44+,45+,47+/m0/s1
SMILES: CC(=O)N[C@H]1[C@@H]([C@H](O[C@H]1OC)COCC2=CC=CC=C2)C3=CN(C4=CC=CC=C43)C
InChI: InChI=1S/C24H28N2O4/c1-16(27)25-23-22(19-13-26(2)20-12-8-7-11-18(19)20)21(30-24(23)28-3)15-29-14-17-9-5-4-6-10-17/h4-13,21-24H,14-15H2,1-3H3,(H,25,27)/t21-,22-,23+,24-/m1/s1
SMILES: CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)NCC4=CC=C(C=C4)OC)O)NC(=O)C5=CC6=CC=CC=C6C=N5
InChI: InChI=1S/C44H49N5O6/c1-44(2,3)40(49-41(52)35-23-29-14-8-9-16-31(29)26-45-35)43(54)47-34(22-27-12-6-5-7-13-27)39(51)38(46-25-28-18-20-32(55-4)21-19-28)42(53)48-37-33-17-11-10-15-30(33)24-36(37)50/h5-21,23,26,34,36-40,46,50-51H,22,24-25H2,1-4H3,(H,47,54)(H,48,53)(H,49,52)/t34-,36+,37-,38+,39+,40+/m0/s1
SMILES: COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2C3=CC(=C(C=C3CCN2)O)O)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC(=O)NC3=CC=CC=C3F
InChI: InChI=1S/C19H20FN3O6/c20-13-7-3-4-8-14(13)21-19(28)22-15(24)10-29-16(25)9-23-17(26)11-5-1-2-6-12(11)18(23)27/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H2,21,22,24,28)/t11-,12+
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)O
InChI: InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1
SMILES: CCCCCOC1=NC(=NC=C1C)O[C@@H]2C[C@H](O[C@@H]2CO[Si](C)(C)C(C)(C)C(C)C)N=[N+]=[N-]
InChI: InChI=1S/C23H41N5O4Si/c1-9-10-11-12-29-21-17(4)14-25-22(26-21)32-18-13-20(27-28-24)31-19(18)15-30-33(7,8)23(5,6)16(2)3/h14,16,18-20H,9-13,15H2,1-8H3/t18-,19-,20+/m1/s1
SMILES: C=C1[C@@H]([C@H](N2C(=NC=N2)N1)C3=CC=NC=C3)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C18H16N6O/c1-12-15(17(25)23-14-5-3-2-4-6-14)16(13-7-9-19-10-8-13)24-18(22-12)20-11-21-24/h2-11,15-16H,1H2,(H,23,25)(H,20,21,22)/t15-,16+/m0/s1
SMILES: C1C[C@H]2C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC(=CC=C4)OCC(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C23H20ClNO4/c24-16-8-6-13(7-9-16)19(26)12-29-18-3-1-2-17(11-18)25-22(27)20-14-4-5-15(10-14)21(20)23(25)28/h1-3,6-9,11,14-15,20-21H,4-5,10,12H2/t14-,15-,20-,21-/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(C)[C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC6=CC=CC=C6F)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C54H72FN3O9/c1-4-6-7-8-9-10-11-12-13-24-51(61)57(3)50-36-48(56-66-37-39-25-27-42(28-26-39)58(62)63)45-34-40(20-16-18-31-59)44(22-17-19-32-60)52-46-35-43(64-38-41-21-14-15-23-47(41)55)29-30-49(46)67-54(50,53(45)52)65-33-5-2/h5,14-15,21,23,25-30,34-35,40,44,50,52-53,59-60H,2,4,6-13,16-20,22,24,31-33,36-38H2,1,3H3/t40-,44+,50-,52+,53+,54+/m0/s1
SMILES: C/C=C(/CCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C
InChI: InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20?,22-,23-,25+,26-,27-,28-,29+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@H](C=CO2)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C27H26O5/c28-27(23-14-8-3-9-15-23)32-24-16-17-30-25(20-29-18-21-10-4-1-5-11-21)26(24)31-19-22-12-6-2-7-13-22/h1-17,24-26H,18-20H2/t24-,25+,26+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@@H](OC(O2)(C)C)C(=O)OC
InChI: InChI=1S/C15H20O7S/c1-10-5-7-11(8-6-10)23(17,18)20-9-12-13(14(16)19-4)22-15(2,3)21-12/h5-8,12-13H,9H2,1-4H3/t12-,13+/m0/s1
SMILES: C[C@@H](C1=CC(=C(C=C1)OC)F)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H25FN2O4/c1-12(13-7-8-17(27-2)16(21)11-13)22-18(24)9-10-23-19(25)14-5-3-4-6-15(14)20(23)26/h7-8,11-12,14-15H,3-6,9-10H2,1-2H3,(H,22,24)/t12-,14-,15+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O
InChI: InChI=1S/C30H21BrCl2F6N2O6/c1-47-20-6-12(2-5-19(20)42)22-16-3-4-17-21(18(16)10-27(32)25(45)40(11-31)26(46)28(22,27)33)24(44)41(23(17)43)15-8-13(29(34,35)36)7-14(9-15)30(37,38)39/h2-3,5-9,17-18,21-22,42H,4,10-11H2,1H3/t17-,18+,21-,22-,27+,28-/m0/s1
SMILES: CCCC[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C=O
InChI: InChI=1S/C32H38O5/c1-2-3-19-29-28(20-33)31(35-22-26-15-9-5-10-16-26)32(36-23-27-17-11-6-12-18-27)30(37-29)24-34-21-25-13-7-4-8-14-25/h4-18,20,28-32H,2-3,19,21-24H2,1H3/t28-,29+,30-,31-,32-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)N(C)CC3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C22H30N4O4/c1-15-7-5-6-8-18(15)26-21(29)20(28)25(22(26)30)14-19(27)24(4)13-16-9-11-17(12-10-16)23(2)3/h9-12,15,18H,5-8,13-14H2,1-4H3/t15-,18+/m1/s1
SMILES: CC(C)([C@H]1OC[C@H]([C@H](O1)C2=CN=CC=C2)C/C=C\CCC(=O)O)OC3=C(C=C(C=C3)SC)[N+](=O)[O-]
InChI: InChI=1S/C25H30N2O7S/c1-25(2,34-21-12-11-19(35-3)14-20(21)27(30)31)24-32-16-18(8-5-4-6-10-22(28)29)23(33-24)17-9-7-13-26-15-17/h4-5,7,9,11-15,18,23-24H,6,8,10,16H2,1-3H3,(H,28,29)/b5-4-/t18-,23-,24+/m1/s1
SMILES: C[C@@]1\2C(=O)C[C@@]([C@H]([C@]13[C@@H](CCCC3=O)C4OCCO4)OC(=O)C(C)(C)C)(C(/C2=C\SC5=CC=CC=C5)(C)C)O
InChI: InChI=1S/C31H40O7S/c1-27(2,3)26(34)38-25-30(35)17-23(33)29(6,21(28(30,4)5)18-39-19-11-8-7-9-12-19)31(25)20(13-10-14-22(31)32)24-36-15-16-37-24/h7-9,11-12,18,20,24-25,35H,10,13-17H2,1-6H3/b21-18+/t20-,25+,29+,30+,31+/m0/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=CC=C5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CCOCCO)C(=O)OCCC=C)OCC=C)C=O
InChI: InChI=1S/C51H64N2O12/c1-4-6-27-61-50(58)53(22-28-60-29-25-56)47-33-44(52-63-35-36-14-8-7-9-15-36)42-31-37(16-10-12-23-54)41(17-11-13-24-55)48-43-32-40(64-39-18-20-45(59-3)38(30-39)34-57)19-21-46(43)65-51(47,49(42)48)62-26-5-2/h4-5,7-9,14-15,18-21,30-32,34,37,41,47-49,54-56H,1-2,6,10-13,16-17,22-29,33,35H2,3H3/t37-,41+,47-,48+,49+,51+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(C=C5C(=C4O3)CN(C5=O)C(CC6=CC=CC=C6)C(=O)O)O)(C[C@H]([C@H](C2(C)C)O)O)C
InChI: InChI=1S/C32H39NO7/c1-17-10-11-25-30(2,3)27(36)24(35)15-31(25,4)32(17)14-20-23(34)13-19-21(26(20)40-32)16-33(28(19)37)22(29(38)39)12-18-8-6-5-7-9-18/h5-9,13,17,22,24-25,27,34-36H,10-12,14-16H2,1-4H3,(H,38,39)/t17-,22?,24-,25+,27-,31+,32-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2OC(=O)C3=CC=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C)OC)CO
InChI: InChI=1S/C31H32O9/c1-18-5-11-21(12-6-18)28(33)38-25-24(17-32)37-31(36-4)27(40-30(35)23-15-9-20(3)10-16-23)26(25)39-29(34)22-13-7-19(2)8-14-22/h5-16,24-27,31-32H,17H2,1-4H3/t24-,25-,26+,27+,31+/m1/s1
SMILES: C[C@@H]1CC[C@H](C2=NN(C(=C12)C3=CC=CC=C3)C(=O)[C@H]4C[C@@H]5C[C@H]4C=C5)C(C)C
InChI: InChI=1S/C25H30N2O/c1-15(2)20-12-9-16(3)22-23(20)26-27(24(22)18-7-5-4-6-8-18)25(28)21-14-17-10-11-19(21)13-17/h4-8,10-11,15-17,19-21H,9,12-14H2,1-3H3/t16-,17+,19-,20+,21+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@]12C[C@@H](C=C1C#C[C@]3([C@H](COC(=O)C[C@@H](C4=CC(=C(C(=C4)Cl)O[C@@H]2C#C[C@@H]3O)OCOC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OCC5=CC=C(C=C5)OC)O[Si](CC)(CC)CC)OCOC
InChI: InChI=1S/C57H82ClNO16Si2/c1-16-76(17-2,18-3)74-56-29-28-41-32-43(69-37-64-13)34-57(41,75-77(19-4,20-5)21-6)48(27-26-47(56)60)71-51-44(58)30-40(31-46(51)70-38-65-14)45(59(52(62)72-54(7,8)9)53(63)73-55(10,11)12)33-50(61)68-36-49(56)67-35-39-22-24-42(66-15)25-23-39/h22-25,30-32,43,45,47-49,60H,16-21,33-38H2,1-15H3/t43-,45+,47+,48-,49+,56+,57-/m1/s1
SMILES: C1[C@H](N=C(C=C1/C=C/N2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O
InChI: InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27-31H,4-5,8H2,(H,32,33)(H,34,35)(H,36,37)/b2-1+/t12-,14-,17+,18-,19+,20+,24+/m0/s1
SMILES: C[C@H]1CC(=O)[C@@]2([C@H]1C(=O)C[C@@]2(C)CC/C=C(\C)/CCCO)O
InChI: InChI=1S/C18H28O4/c1-12(7-5-9-19)6-4-8-17(3)11-14(20)16-13(2)10-15(21)18(16,17)22/h6,13,16,19,22H,4-5,7-11H2,1-3H3/b12-6+/t13-,16+,17+,18-/m0/s1
SMILES: CCOC1C[C@]2(C[C@@]3(C[C@H]4[C@H]([C@@H]([C@@H]3[C@]25[C@@H]4OC(O5)(C)C)COCC6=CC=CC=C6)C=O)O)CO1
InChI: InChI=1S/C27H36O7/c1-4-31-21-11-25(16-32-21)15-26(29)10-18-19(12-28)20(14-30-13-17-8-6-5-7-9-17)22(26)27(25)23(18)33-24(2,3)34-27/h5-9,12,18-23,29H,4,10-11,13-16H2,1-3H3/t18-,19+,20-,21?,22-,23+,25-,26+,27-/m0/s1
SMILES: C1C[NH+](C[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5.[Cl-]
InChI: InChI=1S/C26H26FNO3.ClH/c27-22-8-6-20(7-9-22)24-12-13-28(15-19-4-2-1-3-5-19)16-21(24)17-29-23-10-11-25-26(14-23)31-18-30-25;/h1-11,14,21,24H,12-13,15-18H2;1H/t21-,24-;/m0./s1
SMILES: C[C@H]1[C@H](C[C@@H]2[C@@]3([C@H]1C(=O)CCC=C)CCCO[C@H]3OC2(C)C)O
InChI: InChI=1S/C19H30O4/c1-5-6-8-13(20)16-12(2)14(21)11-15-18(3,4)23-17-19(15,16)9-7-10-22-17/h5,12,14-17,21H,1,6-11H2,2-4H3/t12-,14-,15-,16+,17-,19+/m0/s1
SMILES: COC(=O)C1=NN[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C13H10BrN3O4/c1-21-13(20)10-8-9(15-16-10)12(19)17(11(8)18)7-4-2-6(14)3-5-7/h2-5,8-9,15H,1H3/t8-,9-/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=C4CNC(=O)[C@H](C)OC(=O)C)CN5CCCCC5
InChI: InChI=1S/C36H44N2O6/c1-24-33(22-38-19-7-4-8-20-38)43-36(44-34(24)29-13-11-27(23-39)12-14-29)30-17-15-28(16-18-30)32-10-6-5-9-31(32)21-37-35(41)25(2)42-26(3)40/h5-6,9-18,24-25,33-34,36,39H,4,7-8,19-23H2,1-3H3,(H,37,41)/t24-,25+,33+,34+,36+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]3[C@@H]([C@@H]([C@@H]([C@@H]2O1)N3C(=O)OC(C)(C)C)O)O)C
InChI: InChI=1S/C14H23NO6/c1-13(2,3)21-12(18)15-6-8(16)9(17)7(15)11-10(6)19-14(4,5)20-11/h6-11,16-17H,1-5H3/t6-,7+,8+,9-,10-,11+
SMILES: CCN1C[C@]2([C@H]3[C@H]([C@H]4C1[C@]3(C=CC2=O)[C@@H]5C[C@H]6[C@@H]5[C@@]4(C[C@H](C6=O)OC)O)OC)COC
InChI: InChI=1S/C24H33NO6/c1-5-25-10-22(11-29-2)15(26)6-7-23-13-8-12-16(13)24(28,9-14(30-3)18(12)27)17(21(23)25)19(31-4)20(22)23/h6-7,12-14,16-17,19-21,28H,5,8-11H2,1-4H3/t12-,13+,14+,16-,17-,19-,20+,21?,22-,23+,24+/m0/s1
SMILES: COC1=C(C(=C(C(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)NC9=CC=CC=C9)Br)Br)O
InChI: InChI=1S/C45H32Br2Cl2F3N5O6/c1-63-33-19-30(36(46)37(47)38(33)58)35-27-15-16-28-34(42(61)56(40(28)59)26-13-11-25(12-14-26)54-24-5-3-2-4-6-24)29(27)18-31-41(60)57(43(62)44(31,35)21-7-9-23(48)10-8-21)55-39-32(49)17-22(20-53-39)45(50,51)52/h2-15,17,19-20,28-29,31,34-35,54,58H,16,18H2,1H3,(H,53,55)/t28-,29+,31-,34-,35+,44+/m0/s1
SMILES: CC1=C([C@H]([C@H]2C(=N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3OC)OC)OC)C(=O)OC4CCCCC4
InChI: InChI=1S/C28H37NO6/c1-16-24(27(31)35-17-10-8-7-9-11-17)25(26-19(29-16)14-28(2,3)15-20(26)30)18-12-22(33-5)23(34-6)13-21(18)32-4/h12-13,17,25-26H,7-11,14-15H2,1-6H3/t25-,26+/m1/s1
SMILES: CC(C)CCC[C@@H](CC=C)C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O
InChI: InChI=1S/C21H35NO3S/c1-6-8-16(10-7-9-15(2)3)19(23)22-18-13-17-11-12-21(18,20(17,4)5)14-26(22,24)25/h6,15-18H,1,7-14H2,2-5H3/t16-,17-,18-,21-/m1/s1
SMILES: CC(C)[C@@H]1C[C@@H]2[C@]3(CC[C@@]2([C@H]([C@@H]1C3)O)C)C
InChI: InChI=1S/C15H26O/c1-9(2)10-7-12-14(3)5-6-15(12,4)13(16)11(10)8-14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-/m0/s1
SMILES: C=CCCCO[C@H]1[C@@H]([C@@H]2[C@@H]([C@H](O1)COCC3=CC=CC=C3)O[C@@]4(CCCCO4)[C@@]5(O2)CCCCO5)OCC6=CC=CC=C6
InChI: InChI=1S/C35H46O8/c1-2-3-12-21-37-33-32(38-25-28-17-8-5-9-18-28)31-30(29(41-33)26-36-24-27-15-6-4-7-16-27)42-34(19-10-13-22-39-34)35(43-31)20-11-14-23-40-35/h2,4-9,15-18,29-33H,1,3,10-14,19-26H2/t29-,30-,31+,32-,33-,34+,35+/m1/s1
SMILES: CCOP(=O)(CO[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)N(C2=O)COCC3=CC=CC=C3)C)OC(=O)C4=CC=CC=C4)OCC
InChI: InChI=1S/C29H35N2O10P/c1-4-38-42(35,39-5-2)20-37-28-24(40-27(33)23-14-10-7-11-15-23)16-25(41-28)30-17-21(3)26(32)31(29(30)34)19-36-18-22-12-8-6-9-13-22/h6-15,17,24-25,28H,4-5,16,18-20H2,1-3H3/t24-,25+,28-/m0/s1
SMILES: CC([C@@H]1[C@H](N(C1=O)CC(=O)OCC=C)SC(=S)N2C=CN=C2)O[Si](C)(C)C
InChI: InChI=1S/C17H25N3O4S2Si/c1-6-9-23-13(21)10-20-15(22)14(12(2)24-27(3,4)5)16(20)26-17(25)19-8-7-18-11-19/h6-8,11-12,14,16H,1,9-10H2,2-5H3/t12?,14-,16+/m0/s1
SMILES: C=CC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=COC7=C(C6)C=C(C=C7)O)C8=CC=CC=C8)C9=CC(=CC=C9)Cl
InChI: InChI=1S/C43H33ClN2O6/c1-2-24-11-13-29(14-12-24)45-39(48)33-17-16-32-34(37(33)41(45)50)22-35-40(49)46(30-10-6-9-28(44)21-30)42(51)43(35,27-7-4-3-5-8-27)38(32)26-19-25-20-31(47)15-18-36(25)52-23-26/h2-16,18,20-21,23,33-35,37-38,47H,1,17,19,22H2/t33-,34+,35-,37-,38-,43+/m0/s1
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N[C@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C20H28N2O3S/c1-14-5-8-17(26(24,25)22-9-3-2-4-10-22)13-18(14)20(23)21-19-12-15-6-7-16(19)11-15/h5,8,13,15-16,19H,2-4,6-7,9-12H2,1H3,(H,21,23)/t15-,16-,19-/m0/s1
SMILES: C[C@]12CCC(=O)C([C@@H]1CC[C@@]34[C@@H]2CC[C@@H](C3)[C@](C4)(CO)O)(C)C
InChI: InChI=1S/C20H32O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13-,14-,15+,18-,19+,20-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)N3CCN(CC3)C(=O)C
InChI: InChI=1S/C16H24N4O5/c1-10-8-20(16(24)17-15(10)23)14-7-12(13(9-21)25-14)19-5-3-18(4-6-19)11(2)22/h8,12-14,21H,3-7,9H2,1-2H3,(H,17,23,24)/t12-,13+,14-/m0/s1
SMILES: CC(=O)O[C@@H]1C=CO[C@@H]([C@H]1OC(=O)C)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C29H28O6/c1-21(30)34-26-18-19-32-27(28(26)35-22(2)31)20-33-29(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-19,26-28H,20H2,1-2H3/t26-,27-,28+/m1/s1
SMILES: C[C@H]1C=C([C@@H]2[C@H]([C@]1(CO[C@H]2C3=CC=CO3)CO)C)C
InChI: InChI=1S/C16H22O3/c1-10-7-11(2)16(8-17)9-19-15(14(10)12(16)3)13-5-4-6-18-13/h4-7,11-12,14-15,17H,8-9H2,1-3H3/t11-,12+,14+,15-,16-/m0/s1
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C(=O)[O-])O4
InChI: InChI=1S/C20H17NO4/c22-19(17-15-10-11-16(25-15)18(17)20(23)24)21-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11,15-18H,(H,21,22)(H,23,24)/p-1/t15-,16+,17-,18+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@](O2)(COCC3=CC=CC=C3)N4C=NC5=C(N=CN=C54)N)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C39H39N5O5/c40-37-34-38(42-27-41-37)44(28-43-34)39(26-46-22-30-15-7-2-8-16-30)36(48-24-32-19-11-4-12-20-32)35(47-23-31-17-9-3-10-18-31)33(49-39)25-45-21-29-13-5-1-6-14-29/h1-20,27-28,33,35-36H,21-26H2,(H2,40,41,42)/t33-,35-,36+,39-/m1/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]4[C@H]([C@]3([C@H]2CC(=O)ON)OC)N4)N=CN(C)C
InChI: InChI=1S/C18H23N5O5/c1-8-13(20-7-22(2)3)16(26)12-9(5-11(24)28-19)18(27-4)17-10(21-17)6-23(18)14(12)15(8)25/h7,9-10,17,21H,5-6,19H2,1-4H3/t9-,10+,17+,18-/m0/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=C(C=C(C=C7OC)O)OC)C(=O)N(C5=O)C8=CC=CC(=C8)C(=O)O
InChI: InChI=1S/C42H37N3O9/c1-22-12-14-25(15-13-22)43-45-38(48)31-21-30-28(16-17-29-34(30)39(49)44(37(29)47)26-11-7-8-23(18-26)40(50)51)36(35-32(53-2)19-27(46)20-33(35)54-3)42(31,41(45)52)24-9-5-4-6-10-24/h4-16,18-20,29-31,34,36,43,46H,17,21H2,1-3H3,(H,50,51)/t29-,30+,31-,34-,36+,42+/m0/s1
SMILES: C[C@@H]1CO[Si]([C@@H]([C@H]1O)CO)(C(C)(C)C)C(C)(C)C
InChI: InChI=1S/C14H30O3Si/c1-10-9-17-18(13(2,3)4,14(5,6)7)11(8-15)12(10)16/h10-12,15-16H,8-9H2,1-7H3/t10-,11-,12+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)N2CC(=O)NC3=CC=CC=C32
InChI: InChI=1S/C18H25N3O2/c1-12-7-3-4-8-14(12)19-13(2)18(23)21-11-17(22)20-15-9-5-6-10-16(15)21/h5-6,9-10,12-14,19H,3-4,7-8,11H2,1-2H3,(H,20,22)/t12-,13+,14+/m1/s1
SMILES: C1CC1C2=C(C3=CN(C(=O)N=C3O2)[C@H]4C[C@@H]([C@H](O4)CO)O)I
InChI: InChI=1S/C14H15IN2O5/c15-11-7-4-17(10-3-8(19)9(5-18)21-10)14(20)16-13(7)22-12(11)6-1-2-6/h4,6,8-10,18-19H,1-3,5H2/t8-,9+,10+/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@@H]2[C@H]3CCCC[C@@]3(CCN2CC4=CC=CC=C4Cl)O)OC
InChI: InChI=1S/C24H30ClNO3/c1-28-18-10-11-19(22(15-18)29-2)23-20-8-5-6-12-24(20,27)13-14-26(23)16-17-7-3-4-9-21(17)25/h3-4,7,9-11,15,20,23,27H,5-6,8,12-14,16H2,1-2H3/t20-,23-,24+/m1/s1
SMILES: CC1=C(NC2=NC3=C(C(=O)N12)N=CN3[C@H]4[C@]([C@@H]([C@H](O4)CO)O)(C)O)C5=CC=CC=C5
InChI: InChI=1S/C20H21N5O5/c1-10-13(11-6-4-3-5-7-11)22-19-23-16-14(17(28)25(10)19)21-9-24(16)18-20(2,29)15(27)12(8-26)30-18/h3-7,9,12,15,18,26-27,29H,8H2,1-2H3,(H,22,23)/t12-,15-,18-,20-/m1/s1
SMILES: C[C@]1([C@@](O[C@@H]2C=C(C(=O)C[C@H]2O1)C3=CN=C(C=C3)Cl)(C)OC)OC
InChI: InChI=1S/C17H20ClNO5/c1-16(21-3)17(2,22-4)24-14-8-12(20)11(7-13(14)23-16)10-5-6-15(18)19-9-10/h5-7,9,13-14H,8H2,1-4H3/t13-,14-,16+,17+/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H19N3O6/c1-11(23)26-13-9-16(27-14(13)10-22)21-8-7-15(20-18(21)25)19-17(24)12-5-3-2-4-6-12/h2-8,13-14,16,22H,9-10H2,1H3,(H,19,20,24,25)/t13-,14+,16+/m0/s1
SMILES: CCCCC1=CC=C(C=C1)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H28N2O3/c1-2-3-6-15-9-11-16(12-10-15)22-19(24)13-14-23-20(25)17-7-4-5-8-18(17)21(23)26/h9-12,17-18H,2-8,13-14H2,1H3,(H,22,24)/t17-,18-/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@]([C@@H]3CC2)(C)C(=O)OC)C
InChI: InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21+/m1/s1
SMILES: C[C@@]12[C@H]([C@@H](N3N1CCC3)C4=CC=CC=C4)C(=O)N(C2=O)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C21H20N4O4/c1-21-17(18(14-7-3-2-4-8-14)22-11-6-12-23(21)22)19(26)24(20(21)27)15-9-5-10-16(13-15)25(28)29/h2-5,7-10,13,17-18H,6,11-12H2,1H3/t17-,18+,21+/m1/s1
SMILES: CC(C)OCCCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=CC=CC=C2I)C(=O)NCCO)C(=O)C3CCC3
InChI: InChI=1S/C26H37IN2O6/c1-17(2)34-14-6-12-29(26(33)18-7-5-8-18)21-15-19(25(32)28-11-13-30)16-23(24(21)31)35-22-10-4-3-9-20(22)27/h3-4,9-10,16-18,21,23-24,30-31H,5-8,11-15H2,1-2H3,(H,28,32)/t21-,23+,24+/m1/s1
SMILES: C[C@@H]1[C@]2([C@@H]([C@H]([C@]([C@@]2(C)O)(COC(=O)C3=C(C=CC=C3O)C)O)NC4=CC=CC(=C4)C(=O)C)N)NC(=O)O1
InChI: InChI=1S/C26H31N3O8/c1-13-7-5-10-18(31)19(13)22(32)36-12-25(35)21(28-17-9-6-8-16(11-17)14(2)30)20(27)26(24(25,4)34)15(3)37-23(33)29-26/h5-11,15,20-21,28,31,34-35H,12,27H2,1-4H3,(H,29,33)/t15-,20-,21-,24-,25+,26-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@@](O[C@H]2OC)(CC(CBr)Br)C(=O)OC)C
InChI: InChI=1S/C13H20Br2O6/c1-12(2)19-8-9(20-12)13(11(16)18-4,5-7(15)6-14)21-10(8)17-3/h7-10H,5-6H2,1-4H3/t7?,8-,9+,10-,13+/m1/s1
SMILES: C1C[C@H]([C@@H](C1)NC2=C3C=CC=CC3=[NH+]C4=CC=CC=C42)CC5=CC=CO5
InChI: InChI=1S/C23H22N2O/c1-3-11-21-18(9-1)23(19-10-2-4-12-22(19)24-21)25-20-13-5-7-16(20)15-17-8-6-14-26-17/h1-4,6,8-12,14,16,20H,5,7,13,15H2,(H,24,25)/p+1/t16-,20+/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]2[C@H]([C@@H]1SC)OC3(O2)CCCCC3)OC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C21H28N2O5S/c1-13(24)22-15-16(26-20(25)23-14-9-5-3-6-10-14)17-18(19(15)29-2)28-21(27-17)11-7-4-8-12-21/h3,5-6,9-10,15-19H,4,7-8,11-12H2,1-2H3,(H,22,24)(H,23,25)/t15-,16+,17+,18+,19+/m0/s1
SMILES: CSC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)Cl
InChI: InChI=1S/C11H14ClN5O3S/c1-21-9-5-8(15-11(12)16-9)17(3-14-5)10-7(19)6(18)4(2-13)20-10/h3-4,6-7,10,18-19H,2,13H2,1H3/t4-,6-,7-,10-/m1/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl
InChI: InChI=1S/C14H16ClNO5S/c1-8-5-10(8)14(18)21-7-13(17)16-12-6-9(22(2,19)20)3-4-11(12)15/h3-4,6,8,10H,5,7H2,1-2H3,(H,16,17)/t8-,10+/m0/s1
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C
InChI: InChI=1S/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h14,16-18H,3-13H2,1-2H3/t14-,16+,17-,18-,20-,21-,22+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H](CC(=O)O2)[C@H](C(=O)[C@@H](C[C@@]3([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC/C(=N/OCN4C5=CC=CC=C5N=N4)/CO3)C)O[C@H]6[C@@H]([C@H](C[C@H](O6)C)N(C)C)O)C)C)C)C
InChI: InChI=1S/C41H61N5O11/c1-11-32-41(8)28(17-33(47)57-41)24(4)34(48)22(2)18-40(7)37(56-39-35(49)31(45(9)10)16-23(3)54-39)25(5)36(26(6)38(50)55-32)51-19-27(20-52-40)43-53-21-46-30-15-13-12-14-29(30)42-44-46/h12-15,22-26,28,31-32,35-37,39,49H,11,16-21H2,1-10H3/b43-27-/t22-,23-,24-,25+,26-,28+,31+,32-,35-,36+,37-,39+,40-,41+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@]5(C2(C)C)[C@H]([C@@H]1OC(=O)[C@@H]([C@@H](CC(C)C)NC(=O)OC(C)(C)C)O)CC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C45H59NO16/c1-21(2)17-27(46-40(55)62-41(6,7)8)32(51)39(54)58-33-22(3)31-34(57-23(4)47)36(52)43(11)28(49)19-29-44(20-56-29,60-24(5)48)35(43)37(59-38(53)25-15-13-12-14-16-25)45(42(31,9)10)26(33)18-30(50)61-45/h12-16,21,26-29,32-35,37,49,51H,17-20H2,1-11H3,(H,46,55)/t26-,27+,28-,29+,32+,33+,34+,35-,37-,43+,44-,45+/m0/s1
SMILES: C[C@@H]1[C@H](CC[C@]2([C@H]1C=C[C@H]3[C@@]24CCC(=O)[C@H](C3)[C@H]4O)C)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C27H46O3Si/c1-16(2)31(17(3)4,18(5)6)30-24-12-13-26(8)22(19(24)7)10-9-20-15-21-23(28)11-14-27(20,26)25(21)29/h9-10,16-22,24-25,29H,11-15H2,1-8H3/t19-,20+,21-,22-,24-,25+,26-,27+/m0/s1
SMILES: B(N1C(=CC=C1C2=CC=CS2)/C=C\3/C=CC(=N3)/C=C/C4=CC=C(C=C4)OCC(=O)NCCCCCC(=O)NCCCCCNC5=C6C(=NC=N5)N(C=N6)[C@H]7[C@@H]([C@@H]([C@H](O7)C(=O)NCC)O)O)(F)F
InChI: InChI=1S/C46H53BF2N10O7S/c1-2-50-45(64)42-40(62)41(63)46(66-42)58-29-56-39-43(54-28-55-44(39)58)53-24-8-4-7-22-51-37(60)11-5-3-6-23-52-38(61)27-65-34-19-13-30(14-20-34)12-15-31-16-17-32(57-31)26-33-18-21-35(59(33)47(48)49)36-10-9-25-67-36/h9-10,12-21,25-26,28-29,40-42,46,62-63H,2-8,11,22-24,27H2,1H3,(H,50,64)(H,51,60)(H,52,61)(H,53,54,55)/b15-12+,32-26-/t40-,41+,42-,46+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC[C@@H]2COC(N2C(=O)OC(C)(C)C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H39NO10/c1-13-19(32-14(2)26)21(34-16(4)28)20(33-15(3)27)18(31-13)11-10-17-12-30-24(8,9)25(17)22(29)35-23(5,6)7/h13,17-21H,10-12H2,1-9H3/t13-,17+,18-,19+,20+,21+/m0/s1
SMILES: CC1(OC2CC[C@@H]3[C@H](C[C@H]([C@@H](O3)/C=C\CC2O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C27H52O5Si2/c1-25(2,3)33(9,10)31-23-18-24(32-34(11,12)26(4,5)6)20-16-17-22-21(29-27(7,8)30-22)15-13-14-19(23)28-20/h13-14,19-24H,15-18H2,1-12H3/b14-13-/t19-,20+,21?,22?,23+,24-/m0/s1
SMILES: CC1=C2C(=C(C=C1)C(=O)OC)[C@@H]3C=CC[C@@H]3[C@H](N2)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C22H21NO4/c1-12-6-11-17(22(26)27-2)18-15-4-3-5-16(15)20(23-19(12)18)13-7-9-14(10-8-13)21(24)25/h3-4,6-11,15-16,20,23H,5H2,1-2H3,(H,24,25)/t15-,16+,20-/m1/s1
SMILES: CC(C)(C)C(=O)NC1=NC2=C(C(=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)Br)C(=N1)Cl
InChI: InChI=1S/C37H32BrClN4O8/c1-37(2,3)35(47)42-36-40-29(39)26-24(38)19-43(30(26)41-36)31-28(51-34(46)23-17-11-6-12-18-23)27(50-33(45)22-15-9-5-10-16-22)25(49-31)20-48-32(44)21-13-7-4-8-14-21/h4-19,25,27-28,31H,20H2,1-3H3,(H,40,41,42,47)/t25-,27-,28-,31-/m1/s1
SMILES: CC(=CCC[C@H]([C@H]1C[C@@H]([C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)OC(=O)C)C(=O)O)C
InChI: InChI=1S/C32H48O5/c1-19(2)10-9-11-21(28(35)36)24-18-27(37-20(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h10,21,24-25,27H,9,11-18H2,1-8H3,(H,35,36)/t21-,24-,25+,27+,30-,31-,32-/m1/s1
SMILES: C/C/1=C\CC/C(=C/C=C(\[C@@H]2[C@H](/C(=C/CC1)/C)OC(O2)(C)C)/C(C)C)/C
InChI: InChI=1S/C23H36O2/c1-16(2)20-15-14-18(4)11-8-10-17(3)12-9-13-19(5)21-22(20)25-23(6,7)24-21/h10,13-16,21-22H,8-9,11-12H2,1-7H3/b17-10+,18-14+,19-13+,20-15-/t21-,22+/m0/s1
SMILES: C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)[C@H]2[C@@H](N(C2=O)CC(=O)OC)C3=CC=CC=C3)NC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C37H51N5O8/c1-22(2)19-27(30-31(26-17-13-10-14-18-26)42(35(30)47)21-29(43)49-8)40-34(46)28(20-25-15-11-9-12-16-25)41-33(45)23(3)38-32(44)24(4)39-36(48)50-37(5,6)7/h9-18,22-24,27-28,30-31H,19-21H2,1-8H3,(H,38,44)(H,39,48)(H,40,46)(H,41,45)/t23-,24-,27-,28+,30-,31-/m0/s1
SMILES: CC(C)COC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OCCC(=O)O)OCCO)OC)OC
InChI: InChI=1S/C17H32O9/c1-11(2)9-23-10-12-14(21-3)15(22-4)16(24-8-6-18)17(26-12)25-7-5-13(19)20/h11-12,14-18H,5-10H2,1-4H3,(H,19,20)/t12-,14-,15+,16+,17-/m1/s1