EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)N[C@@H](C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3
InChI: InChI=1S/C21H33N3O4S/c1-15-6-4-9-20(16(15)2)22-17(3)21(25)23-18-7-5-8-19(14-18)29(26,27)24-10-12-28-13-11-24/h5,7-8,14-17,20,22H,4,6,9-13H2,1-3H3,(H,23,25)/t15-,16-,17+,20-/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H](C3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC47C3(C7)C)C)O)C)N(C1)CCO
InChI: InChI=1S/C30H47NO3/c1-18-13-25-26(31(16-18)11-12-32)19(2)30(34-25)10-8-23-22-6-5-20-14-21(33)7-9-27(20,3)24(22)15-29(23)17-28(29,30)4/h5,18-19,21-26,32-33H,6-17H2,1-4H3/t18-,19+,21-,22-,23-,24-,25+,26-,27-,28?,29?,30?/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C(C)C)CCOCCOCCO
InChI: InChI=1S/C24H38N4O8/c1-4-35-24-19(7-11-33-13-14-34-12-10-29)20(17(2)3)15-21(36-24)23(30)26-9-8-25-22-6-5-18(16-27-22)28(31)32/h5-6,15-17,19-20,24,29H,4,7-14H2,1-3H3,(H,25,27)(H,26,30)/t19-,20-,24-/m0/s1
SMILES: CS[C@@]1([C@@H](C(=O)N1C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI: InChI=1S/C24H18N2O3S/c1-30-24(16-10-4-2-5-11-16)20(23(29)26(24)17-12-6-3-7-13-17)25-21(27)18-14-8-9-15-19(18)22(25)28/h2-15,20H,1H3/t20-,24-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2/C(=N\O)/C=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C29H47NO3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(33-20(4)31)16-21(28)17-26(27)30-32/h17-19,22-25,27,32H,7-16H2,1-6H3/b30-26-/t19-,22+,23-,24+,25+,27+,28+,29-/m1/s1
SMILES: C([C@@H]1[C@H]2[C@@H]([C@@H](C1O)CO)[C@H](C([C@@H]2O)O)O)O
InChI: InChI=1S/C10H18O6/c11-1-3-5-6(4(2-12)7(3)13)9(15)10(16)8(5)14/h3-16H,1-2H2/t3-,4+,5+,6-,7?,8-,9-,10?/m1/s1
SMILES: C1[C@@H]2COC3=CC=CC=C3[C@@H]2N(N1C(=O)CC4=CC=CS4)C5=CC=CC=C5
InChI: InChI=1S/C22H20N2O2S/c25-21(13-18-9-6-12-27-18)23-14-16-15-26-20-11-5-4-10-19(20)22(16)24(23)17-7-2-1-3-8-17/h1-12,16,22H,13-15H2/t16-,22-/m1/s1
SMILES: C1[C@@H]([C@H]1C2(C(=O)NC(=O)N2)CCC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C15H16N2O4/c18-12(19)10-8-11(10)15(13(20)16-14(21)17-15)7-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,18,19)(H2,16,17,20,21)/t10-,11-,15?/m0/s1
SMILES: C1=CC(=CC=C1CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CC3=CC=C(C=C3)CO)CC4=CC=NC=C4)O)O)CC5=CC=NC=C5)CO
InChI: InChI=1S/C33H36N4O5/c38-21-27-5-1-25(2-6-27)19-36-29(17-23-9-13-34-14-10-23)31(40)32(41)30(18-24-11-15-35-16-12-24)37(33(36)42)20-26-3-7-28(22-39)8-4-26/h1-16,29-32,38-41H,17-22H2/t29-,30-,31+,32+/m1/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C29H23NO2/c1-18-10-8-9-15-23(18)30-28(31)26-21-16-17-22(27(26)29(30)32)25(21)24(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-17,21-22,26-27H,1H3/t21-,22+,26-,27-/m0/s1
SMILES: C[C@]12[C@H]([C@@H](N3N1CCC3)C4=CC=CC=C4)C(=O)N(C2=O)C5=CC=C(C=C5)OC
InChI: InChI=1S/C22H23N3O3/c1-22-18(19(15-7-4-3-5-8-15)23-13-6-14-24(22)23)20(26)25(21(22)27)16-9-11-17(28-2)12-10-16/h3-5,7-12,18-19H,6,13-14H2,1-2H3/t18-,19+,22-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H](C[C@@H](O1)O[Si](C)(C)C(C)(C)C)N=[N+]=[N-])OC(=O)C
InChI: InChI=1S/C16H29N3O6Si/c1-10(20)22-9-13-15(23-11(2)21)12(18-19-17)8-14(24-13)25-26(6,7)16(3,4)5/h12-15H,8-9H2,1-7H3/t12-,13+,14-,15-/m0/s1
SMILES: C[C@]1(CCC[C@]2([C@H]1CC[C@]3([C@@H]2CC[C@@H]3O)C)C)CO
InChI: InChI=1S/C17H30O2/c1-15(11-18)8-4-9-16(2)12(15)7-10-17(3)13(16)5-6-14(17)19/h12-14,18-19H,4-11H2,1-3H3/t12-,13+,14-,15-,16-,17-/m0/s1
SMILES: C[C@H]1[C@@H](OC2=CC=CC=C2O1)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C17H14F3NO3/c1-10-15(24-14-8-3-2-7-13(14)23-10)16(22)21-12-6-4-5-11(9-12)17(18,19)20/h2-10,15H,1H3,(H,21,22)/t10-,15+/m0/s1
SMILES: C[C@@]12[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)[C@@](O1)(C5=C2C6=CC=CC=C6N5S(=O)(=O)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C33H24N2O5S/c1-32-26-24-19-11-12-20-25(24)35(41(38,39)23-17-9-4-10-18-23)29(26)33(40-32,21-13-5-2-6-14-21)28-27(32)30(36)34(31(28)37)22-15-7-3-8-16-22/h2-20,27-28H,1H3/t27-,28+,32-,33-/m1/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]2O)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)OCC[Si](C)(C)C)CO)CO)O)CO)O)O
InChI: InChI=1S/C25H47NO16Si/c1-10(30)26-14-17(33)15(31)11(7-27)38-23(14)42-22-16(32)12(8-28)39-25(20(22)36)41-21-13(9-29)40-24(19(35)18(21)34)37-5-6-43(2,3)4/h11-25,27-29,31-36H,5-9H2,1-4H3,(H,26,30)/t11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21+,22+,23+,24-,25+/m1/s1
SMILES: CC1[C@@H]2C(C[C@@H](O1)O[C@@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)CO)OC(O2)(C)C
InChI: InChI=1S/C32H48O9/c1-18-27-24(40-28(2,3)41-27)14-26(38-18)39-20-5-10-30(17-33)22-6-9-29(4)21(19-13-25(34)37-16-19)8-12-32(29,36)23(22)7-11-31(30,35)15-20/h13,18,20-24,26-27,33,35-36H,5-12,14-17H2,1-4H3/t18?,20-,21-,22?,23?,24?,26+,27-,29-,30+,31+,32+/m1/s1
SMILES: CC1=C2C(=CC=C1)[C@@]3([C@H]4[C@@H]([C@@H]([NH2+]3)CCC(=O)[O-])C(=O)N(C4=O)CC5=CC6=C(C=C5)OCO6)C(=O)N2
InChI: InChI=1S/C25H23N3O7/c1-12-3-2-4-14-21(12)26-24(33)25(14)20-19(15(27-25)6-8-18(29)30)22(31)28(23(20)32)10-13-5-7-16-17(9-13)35-11-34-16/h2-5,7,9,15,19-20,27H,6,8,10-11H2,1H3,(H,26,33)(H,29,30)/t15-,19+,20-,25+/m0/s1
SMILES: CCCCC1=C[C@]23[C@H](CC(=O)[C@@H]2[C@@H]1C)CC(=O)C3C
InChI: InChI=1S/C17H24O2/c1-4-5-6-12-9-17-11(3)14(18)7-13(17)8-15(19)16(17)10(12)2/h9-11,13,16H,4-8H2,1-3H3/t10-,11?,13+,16+,17+/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(Cl)(Cl)Cl
InChI: InChI=1S/C21H21Cl3O8/c1-30-12-6-2-10(3-7-12)14(21(22,23)24)11-4-8-13(9-5-11)31-20-17(27)15(25)16(26)18(32-20)19(28)29/h2-9,14-18,20,25-27H,1H3,(H,28,29)/t14?,15-,16-,17+,18-,20+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)NC(=O)N(CCCl)N=O)O
InChI: InChI=1S/C9H14ClN3O5/c10-1-2-13(12-16)9(15)11-8-5(14)3-7-17-4-6(8)18-7/h5-8,14H,1-4H2,(H,11,15)/t5-,6-,7-,8+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)N/N=C\C2=CC=C(O2)C3=CC=C(C=C3)S(=O)(=O)N
InChI: InChI=1S/C19H24N4O3S2/c1-13-4-2-3-5-17(13)22-19(27)23-21-12-15-8-11-18(26-15)14-6-9-16(10-7-14)28(20,24)25/h6-13,17H,2-5H2,1H3,(H2,20,24,25)(H2,22,23,27)/b21-12-/t13-,17-/m0/s1
SMILES: C[C@@]12CC[C@H]([C@]13[C@H](O3)C[C@@]([C@@H](CCC(=C)CC2)OC)(CO)O)C(C)(C)O
InChI: InChI=1S/C21H36O5/c1-14-6-7-16(25-5)20(24,13-22)12-17-21(26-17)15(18(2,3)23)9-11-19(21,4)10-8-14/h15-17,22-24H,1,6-13H2,2-5H3/t15-,16+,17+,19+,20-,21-/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H](C(C[C@@H](C[C@@]([C@@H]([C@H](C(=O)C(C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)C/C=C/C3=CC=CC=C3)(C)O
InChI: InChI=1S/C39H63NO8/c1-12-32-39(8,44)30(20-16-19-29-17-14-13-15-18-29)25(3)21-24(2)23-38(7,45-11)35(27(5)33(41)28(6)36(43)47-32)48-37-34(42)31(40(9)10)22-26(4)46-37/h13-19,24-28,30-32,34-35,37,42,44H,12,20-23H2,1-11H3/b19-16+/t24-,25?,26+,27-,28?,30+,31-,32+,34+,35+,37-,38+,39-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C(=O)NC7=CC=C(C=C7)C8=NC9=CC=CC=C9N8
InChI: InChI=1S/C41H34N4O8/c1-49-33-15-23(16-34(50-2)38(33)46)35-26-17-31-32(53-20-52-31)18-27(26)37(28-19-51-41(48)36(28)35)42-24-13-9-22(10-14-24)40(47)43-25-11-7-21(8-12-25)39-44-29-5-3-4-6-30(29)45-39/h3-18,28,35-37,42,46H,19-20H2,1-2H3,(H,43,47)(H,44,45)/t28-,35+,36-,37+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCN2[C@H]1[C@H]([C@@H]([C@H](C2=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C26H55NO5Si3/c1-24(2,3)33(10,11)30-18-16-17-27-19(18)20(28)21(31-34(12,13)25(4,5)6)22(23(27)29)32-35(14,15)26(7,8)9/h18-22,28H,16-17H2,1-15H3/t18-,19+,20+,21-,22+/m0/s1
SMILES: C1C[C@]23[C@]1(C4C5=CC=CC=C5C2C6=CC=CC=C46)C(=O)NC3=O
InChI: InChI=1S/C20H15NO2/c22-17-19-9-10-20(19,18(23)21-17)16-12-6-2-1-5-11(12)15(19)13-7-3-4-8-14(13)16/h1-8,15-16H,9-10H2,(H,21,22,23)/t15?,16?,19-,20+
SMILES: COC(=O)C1=NNC(=C2[C@H]1[C@H]3CCC[C@@H]2OO3)C(=O)OC
InChI: InChI=1S/C13H16N2O6/c1-18-12(16)10-8-6-4-3-5-7(21-20-6)9(8)11(15-14-10)13(17)19-2/h6-8,15H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O.[K+]
InChI: InChI=1S/C6H13NO5.K/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;/q;+1/t2-,3-,4-,5-,6-;/m1./s1
SMILES: CON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC6=CC=CC=C6C=C5)CCCCO)CCCCO)OCC=C)N(CC7=CC=C(C=C7)F)C(=O)OCCOCC8=CC=CC=C8
InChI: InChI=1S/C55H61FN2O9/c1-3-29-65-55-51(58(36-38-19-22-43(56)23-20-38)54(61)64-31-30-63-37-39-13-5-4-6-14-39)35-49(57-62-2)47-33-42(17-9-11-27-59)46(18-10-12-28-60)52(53(47)55)48-34-45(25-26-50(48)67-55)66-44-24-21-40-15-7-8-16-41(40)32-44/h3-8,13-16,19-26,32-34,42,46,51-53,59-60H,1,9-12,17-18,27-31,35-37H2,2H3/t42-,46+,51-,52+,53+,55+/m0/s1
SMILES: CCC(=O)O[C@@]1(CCC2[C@@]1(C[C@@H](C3C2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)C
InChI: InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18?,19?,20-,23?,24-,25-,26-/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=C4CNS(=O)(=O)C5=CC=CC=C5)CN6CCN(CC6)CC7=CC=CC=C7
InChI: InChI=1S/C43H47N3O5S/c1-32-41(30-46-26-24-45(25-27-46)29-33-10-4-2-5-11-33)50-43(51-42(32)36-18-16-34(31-47)17-19-36)37-22-20-35(21-23-37)40-15-9-8-12-38(40)28-44-52(48,49)39-13-6-3-7-14-39/h2-23,32,41-44,47H,24-31H2,1H3/t32-,41+,42+,43+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CC(=C2SCCCS2)O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)COCC3=CC=C(C=C3)Br
InChI: InChI=1S/C29H49BrO4S2Si2/c1-28(2,3)37(7,8)33-23-18-24(27-35-16-11-17-36-27)32-25(26(23)34-38(9,10)29(4,5)6)20-31-19-21-12-14-22(30)15-13-21/h12-15,23,25-26H,11,16-20H2,1-10H3/t23-,25-,26+/m0/s1
SMILES: C1[C@]23C=C[C@H](O2)[C@@H]([C@@H]3C(=O)N1CC4=C(C(=CC=C4)Cl)Cl)C(=O)O
InChI: InChI=1S/C16H13Cl2NO4/c17-9-3-1-2-8(13(9)18)6-19-7-16-5-4-10(23-16)11(15(21)22)12(16)14(19)20/h1-5,10-12H,6-7H2,(H,21,22)/t10-,11-,12+,16-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O.C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO
InChI: InChI=1S/C27H36N2O4.C10H21NO7/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29;12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32);5-9,11-18H,1-4H2/t23-;6-,7-,8+,9-,10-/m00/s1
SMILES: CC[C@@H]1[C@H](C2=NC1=CC3=C(C(=C(N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=C2)N5)C(=O)C)C)C)CCC(=O)NCC[N+](C)(C)C)CC(=O)OC)C(=O)NCC(CO)O)C)C
InChI: InChI=1S/C43H59N7O7/c1-11-28-22(2)31-19-36-39(26(6)52)24(4)33(47-36)17-32-23(3)29(12-13-37(54)44-14-15-50(7,8)9)41(48-32)30(16-38(55)57-10)42-40(43(56)45-20-27(53)21-51)25(5)34(49-42)18-35(28)46-31/h17-19,22-23,27-29,51,53H,11-16,20-21H2,1-10H3,(H3-,44,45,46,47,48,49,52,54,56)/p+1/t22-,23+,27?,28-,29+/m1/s1
SMILES: COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)N/N=C\3/C[C@@H]4[C@H]3CC=C4
InChI: InChI=1S/C21H21N3O4S/c1-28-20-11-3-2-10-18(20)24-29(26,27)16-8-4-7-15(12-16)21(25)23-22-19-13-14-6-5-9-17(14)19/h2-8,10-12,14,17,24H,9,13H2,1H3,(H,23,25)/b22-19-/t14-,17-/m1/s1
SMILES: CCOC(=O)C1=CN=C(C(=C1C)C#N)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H28N2O11S/c1-7-32-23(31)17-9-26-22(16(8-25)11(17)2)38-24-21(36-15(6)30)20(35-14(5)29)19(34-13(4)28)18(37-24)10-33-12(3)27/h9,18-21,24H,7,10H2,1-6H3/t18-,19-,20+,21-,24+/m1/s1
SMILES: CC1([C@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)C3=CC=CC=C3)C=C(Br)Br)C
InChI: InChI=1S/C21H20Br2O2/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CN(C)[C@@H](C)C2=NC3=CC=CC=C3S2
InChI: InChI=1S/C20H29N3OS/c1-13-8-7-10-16(14(13)2)21-19(24)12-23(4)15(3)20-22-17-9-5-6-11-18(17)25-20/h5-6,9,11,13-16H,7-8,10,12H2,1-4H3,(H,21,24)/t13-,14+,15-,16+/m0/s1
SMILES: C[C@@H]([C@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C)OC)O
InChI: InChI=1S/C23H29NO4/c1-13(25)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(26-3)19(28-20)18(14)22/h5-8,13,15,17,20,25H,9-12H2,1-4H3/t13-,15+,17+,20+,21+,22-,23+/m0/s1
SMILES: CC1=CC=C(C=C1)S[C@@H]2C[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@@]5([C@@]2(C[C@H](CC5)OC(=O)C)O)C)C)[C@H](C)CCCC(C)C
InChI: InChI=1S/C36H56O3S/c1-23(2)9-8-10-25(4)30-15-16-31-29-21-33(40-28-13-11-24(3)12-14-28)36(38)22-27(39-26(5)37)17-20-35(36,7)32(29)18-19-34(30,31)6/h11-14,23,25,27,29-33,38H,8-10,15-22H2,1-7H3/t25-,27+,29+,30-,31+,32+,33-,34-,35-,36+/m1/s1
SMILES: CN1C(=O)[C@@H]2[C@@H](C1=O)[C@](N[C@@H]2C3=CC=CC=C3F)(CC4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C22H21FN2O4/c1-25-19(26)16-17(20(25)27)22(21(28)29-2,12-13-8-4-3-5-9-13)24-18(16)14-10-6-7-11-15(14)23/h3-11,16-18,24H,12H2,1-2H3/t16-,17+,18-,22-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H]([C@H](CO[C@H]1OC)O)O
InChI: InChI=1S/C12H26O5Si/c1-12(2,3)18(5,6)17-10-9(14)8(13)7-16-11(10)15-4/h8-11,13-14H,7H2,1-6H3/t8-,9-,10-,11+/m0/s1
SMILES: CC[C@@H]1C[C@@H]2C[C@@](N3C4=CC=CC=C4C5=C3[C@@H]2N(C1)CC5)(C(=O)OC)N(C)C
InChI: InChI=1S/C23H31N3O2/c1-5-15-12-16-13-23(24(2)3,22(27)28-4)26-19-9-7-6-8-17(19)18-10-11-25(14-15)20(16)21(18)26/h6-9,15-16,20H,5,10-14H2,1-4H3/t15-,16-,20-,23-/m1/s1
SMILES: CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C22H29NO5S/c1-22(2,3)12-9-10-15-16(11-12)29-19(17(15)21(27)28-4)23-18(24)13-7-5-6-8-14(13)20(25)26/h5-6,12-14H,7-11H2,1-4H3,(H,23,24)(H,25,26)/p-1/t12-,13+,14-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](C=C[C@@H]2[C@@H]1[C@H](C[C@@](C2)(C)/C=C/C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C24H42O3Si/c1-10-14-24(7)15-18-13-12-17(3)20(22(25)26-11-2)21(18)19(16-24)27-28(8,9)23(4,5)6/h10,12-14,17-21H,11,15-16H2,1-9H3/b14-10+/t17-,18-,19-,20-,21+,24-/m0/s1
SMILES: CC(C)OC1=C(C=C(C=C1)[C@@H]2[C@@H]3CNCC=C3[C@H](C(=N)C2(C#N)C#N)C#N)OC
InChI: InChI=1S/C22H23N5O2/c1-13(2)29-18-5-4-14(8-19(18)28-3)20-17-10-27-7-6-15(17)16(9-23)21(26)22(20,11-24)12-25/h4-6,8,13,16-17,20,26-27H,7,10H2,1-3H3/t16-,17-,20-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@]2(O1)C=C[C@@](CO2)(COCC3=CC(=C(C=C3)OC)OC)NC(=O)OC(C)(C)C)N=[N+]=[N-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C31H42N4O13/c1-18(36)43-15-24-25(45-19(2)37)26(46-20(3)38)27(34-35-32)31(47-24)12-11-30(17-44-31,33-28(39)48-29(4,5)6)16-42-14-21-9-10-22(40-7)23(13-21)41-8/h9-13,24-27H,14-17H2,1-8H3,(H,33,39)/t24-,25+,26+,27-,30+,31+/m1/s1
SMILES: CCCCC/C=C\C[C@]\1([C@H]2[C@](O2)(C(=O)/C1=C/C=C\CCCC(=O)OC)Br)O
InChI: InChI=1S/C21H29BrO5/c1-3-4-5-6-9-12-15-20(25)16(18(24)21(22)19(20)27-21)13-10-7-8-11-14-17(23)26-2/h7,9-10,12-13,19,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,16-13-/t19-,20-,21+/m0/s1
SMILES: C[C@@H]1[C@@H](C(=O)O[C@@H]1C2=CC(=O)C(C=C2Br)(OC)OC)C
InChI: InChI=1S/C14H17BrO5/c1-7-8(2)13(17)20-12(7)9-5-11(16)14(18-3,19-4)6-10(9)15/h5-8,12H,1-4H3/t7-,8+,12+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)COC(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C25H31NO5/c1-4-29-25(28)23-22(31-23)24(27)26-20(15-17(2)3)16-30-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-23H,4,15-16H2,1-3H3,(H,26,27)/t20-,22-,23-/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)(C)O)C)CCCCNC(=O)C2=CN(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C)O)(C)O
InChI: InChI=1S/C42H60ClN3O10/c1-9-34-42(7,54)37(49)27(5)45(22-24(2)21-41(6,53)36(48)25(3)35(47)26(4)40(52)56-34)19-11-10-18-44-38(50)32-23-46(33-17-16-30(55-8)20-31(32)33)39(51)28-12-14-29(43)15-13-28/h12-17,20,23-27,34-37,47-49,53-54H,9-11,18-19,21-22H2,1-8H3,(H,44,50)/t24-,25+,26-,27-,34-,35+,36-,37-,41-,42-/m1/s1
SMILES: CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N[C@H]2CCC[C@@H]([C@@H]2C)C)OC
InChI: InChI=1S/C20H28ClNO5/c1-5-26-19-15(21)9-14(10-17(19)25-4)20(24)27-11-18(23)22-16-8-6-7-12(2)13(16)3/h9-10,12-13,16H,5-8,11H2,1-4H3,(H,22,23)/t12-,13-,16-/m0/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=C(C=CC(=C4)Cl)O)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)N(C5=O)CCC(=O)O
InChI: InChI=1S/C25H19BrClNO7/c26-16-9-18(30)22-15(23(16)33)8-13-11(20(22)14-7-10(27)1-4-17(14)29)2-3-12-21(13)25(35)28(24(12)34)6-5-19(31)32/h1-2,4,7,9,12-13,20-21,29H,3,5-6,8H2,(H,31,32)/t12-,13+,20+,21-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C3=C(C=C4C(=C3O)C(=O)C=C(O4)C5=CC=C(C=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1
InChI: InChI=1S/C63H56O10/c64-52-35-53(50-31-33-51(34-32-50)67-38-45-21-9-2-10-22-45)72-55-36-54(68-39-46-23-11-3-12-24-46)58(59(65)57(52)55)61-63(71-42-49-29-17-6-18-30-49)62(70-41-48-27-15-5-16-28-48)60(69-40-47-25-13-4-14-26-47)56(73-61)43-66-37-44-19-7-1-8-20-44/h1-36,56,60-63,65H,37-43H2/t56-,60-,61+,62+,63+/m1/s1
SMILES: CC1=C(C(=O)C[C@]2(C1C[C@@H]3[C@]45C2[C@H](C([C@]([C@@H]4[C@H](C(=O)O3)O)(OC5)C(=O)OC)O)O)C)OC(=O)/C=C(/C6=CC=CC=C6)\C(F)(F)F
InChI: InChI=1S/C31H31F3O11/c1-13-15-9-18-29-12-43-30(27(41)42-3,24(29)21(38)26(40)44-18)25(39)20(37)23(29)28(15,2)11-17(35)22(13)45-19(36)10-16(31(32,33)34)14-7-5-4-6-8-14/h4-8,10,15,18,20-21,23-25,37-39H,9,11-12H2,1-3H3/b16-10-/t15?,18-,20-,21-,23?,24-,25?,28+,29-,30+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@H]2[C@H]([C@@H]([C@H](C(=O)N2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C41H41NO6/c43-41-40(47-29-35-22-12-4-13-23-35)39(46-28-34-20-10-3-11-21-34)38(45-27-33-18-8-2-9-19-33)37(31-44-26-32-16-6-1-7-17-32)42(41)48-30-36-24-14-5-15-25-36/h1-25,37-40H,26-31H2/t37-,38+,39-,40+/m0/s1
SMILES: C[C@]1(CC[C@H]2[C@@H](O1)C3=CC=CC=C3OC2(C)C)C#CCN4CCN(CC4)C
InChI: InChI=1S/C23H32N2O2/c1-22(2)19-10-12-23(3,11-7-13-25-16-14-24(4)15-17-25)27-21(19)18-8-5-6-9-20(18)26-22/h5-6,8-9,19,21H,10,12-17H2,1-4H3/t19-,21-,23+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@@H](C2=CC=CO2)O)COCC3=CC=CC=C3)C
InChI: InChI=1S/C18H22O5/c1-18(2)22-15(12-20-11-13-7-4-3-5-8-13)17(23-18)16(19)14-9-6-10-21-14/h3-10,15-17,19H,11-12H2,1-2H3/t15-,16+,17+/m0/s1
SMILES: CC(C)C1=CC=CC=C1OC[C@@H](C[NH+]2CCC[C@H]3[C@H]2CCCC3)O
InChI: InChI=1S/C21H33NO2/c1-16(2)19-10-4-6-12-21(19)24-15-18(23)14-22-13-7-9-17-8-3-5-11-20(17)22/h4,6,10,12,16-18,20,23H,3,5,7-9,11,13-15H2,1-2H3/p+1/t17-,18+,20+/m0/s1
SMILES: CCCC[C@H]1[C@@H]([C@@H](OC(O1)(C)C)COCC2=CC=CC=C2)C
InChI: InChI=1S/C19H30O3/c1-5-6-12-17-15(2)18(22-19(3,4)21-17)14-20-13-16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3/t15-,17-,18-/m0/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C
InChI: InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12?,24-13?/t20-,22+,25-,26+,27+,28+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(N=N2)C(=O)N)CC#N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H19N5O8/c1-7(22)26-6-11-13(27-8(2)23)14(28-9(3)24)16(29-11)21-10(4-5-17)12(15(18)25)19-20-21/h11,13-14,16H,4,6H2,1-3H3,(H2,18,25)/t11-,13-,14-,16-/m1/s1
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])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=C(C=C(C=C6)O)Cl)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F)[N+](=O)[O-]
InChI: InChI=1S/C40H31Cl2FN6O9/c1-45(2)35-31(48(55)56)15-23(16-32(35)49(57)58)46-36(51)27-14-13-25-28(33(27)38(46)53)18-29-37(52)47(44-22-9-7-21(43)8-10-22)39(54)40(29,19-3-5-20(41)6-4-19)34(25)26-12-11-24(50)17-30(26)42/h3-13,15-17,27-29,33-34,44,50H,14,18H2,1-2H3/t27-,28+,29-,33-,34+,40+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3
InChI: InChI=1S/C17H22N2O2S/c1-10-4-3-5-13(11(10)2)19-17(21)12-6-7-15-14(8-12)18-16(20)9-22-15/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,18,20)(H,19,21)/t10-,11-,13-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=C(C(=O)NC7=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C47H59N4O13PSSi/c1-29-25-50(44(54)48-42(29)52)40-23-36(63-65(56,66)60-28-39-37(64-67(8,9)46(3,4)5)24-41(62-39)51-26-30(2)43(53)49-45(51)55)38(61-40)27-59-47(31-13-11-10-12-14-31,32-15-19-34(57-6)20-16-32)33-17-21-35(58-7)22-18-33/h10-22,25-26,36-41H,23-24,27-28H2,1-9H3,(H,56,66)(H,48,52,54)(H,49,53,55)/t36-,37-,38+,39+,40+,41+,65?/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)O
InChI: InChI=1S/C16H21N5O2S/c1-11-4-2-3-5-14(11)17-15(23)10-24-16-18-19-20-21(16)12-6-8-13(22)9-7-12/h6-9,11,14,22H,2-5,10H2,1H3,(H,17,23)/t11-,14+/m1/s1
SMILES: CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C22H30N2O5/c1-13(2)24-14(3)11-18(15(24)4)19(25)12-29-20(26)9-10-23-21(27)16-7-5-6-8-17(16)22(23)28/h11,13,16-17H,5-10,12H2,1-4H3/t16-,17-/m1/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@H]4C(=O)C(=CC(=O)[C@]4([C@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C35H31N3O6/c1-36-33(42)37-17-16-24-28(38(37)34(36)43)21-27-32(41)26(22-10-4-2-5-11-22)20-30(40)35(27,23-12-6-3-7-13-23)31(24)25-14-8-9-15-29(25)44-19-18-39/h2-16,20,27-28,31,39H,17-19,21H2,1H3/t27-,28+,31+,35-/m0/s1
SMILES: CCC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O
InChI: InChI=1S/C22H30N2O4S/c1-4-22(2,3)12-9-10-15-16(11-12)29-20(17(15)18(23)25)24-19(26)13-7-5-6-8-14(13)21(27)28/h5-6,12-14H,4,7-11H2,1-3H3,(H2,23,25)(H,24,26)(H,27,28)/t12-,13-,14-/m1/s1
SMILES: CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]4C3=O)C(=C5)C
InChI: InChI=1S/C25H24N2O3/c1-3-15-6-4-5-7-20(15)26-23(28)16-8-10-18(11-9-16)27-24(29)21-17-12-14(2)19(13-17)22(21)25(27)30/h4-12,17,19,21-22H,3,13H2,1-2H3,(H,26,28)/t17-,19-,21+,22+/m1/s1
SMILES: COC1=CC=CC=C1C(=O)NC2=CC3=C4C(=C2)[C@@H]5CCC[C@@H]5CN4C[C@@H]6[C@@H]3CCC6
InChI: InChI=1S/C26H30N2O2/c1-30-24-11-3-2-8-21(24)26(29)27-18-12-22-19-9-4-6-16(19)14-28-15-17-7-5-10-20(17)23(13-18)25(22)28/h2-3,8,11-13,16-17,19-20H,4-7,9-10,14-15H2,1H3,(H,27,29)/t16-,17-,19-,20+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C(F)(F)F)O)CCC4=C(C(=O)CC[C@H]34)O
InChI: InChI=1S/C19H25F3O3/c1-17-8-6-11-10-4-5-15(23)16(24)13(10)3-2-12(11)14(17)7-9-18(17,25)19(20,21)22/h10-12,14,24-25H,2-9H2,1H3/t10-,11-,12-,14+,17+,18+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)(C(C)O)[N+](=O)[O-])C
InChI: InChI=1S/C17H27NO7/c1-9-5-6-13-10(2)17(11(3)19,18(20)21)23-14-16(13)12(9)7-8-15(4,22-14)24-25-16/h9-14,19H,5-8H2,1-4H3/t9-,10-,11?,12+,13+,14+,15+,16-,17-/m1/s1
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CCN=C2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C28H45NO/c1-18(2)19(3)7-8-20(4)24-13-16-29-26-23-10-9-21-17-22(30)11-14-27(21,5)25(23)12-15-28(24,26)6/h18,20-22,24,30H,3,7-17H2,1-2,4-6H3/t20-,21?,22+,24-,27+,28-/m1/s1
SMILES: CC[C@@H]1CN([C@H]2C[C@@H]1[C@@H](CN3C2=CC4=CC=CC=C43)C(=O)OC)CC(SC)SC
InChI: InChI=1S/C23H32N2O2S2/c1-5-15-12-24(14-22(28-3)29-4)20-11-17(15)18(23(26)27-2)13-25-19-9-7-6-8-16(19)10-21(20)25/h6-10,15,17-18,20,22H,5,11-14H2,1-4H3/t15-,17+,18-,20+/m1/s1
SMILES: C1=CC=C(C=C1)C2=CC(=N[C@H]3[C@H]2C(=C(S3)C(=O)NC4=CC(=CC=C4)F)N)C(F)(F)F
InChI: InChI=1S/C21H15F4N3OS/c22-12-7-4-8-13(9-12)27-19(29)18-17(26)16-14(11-5-2-1-3-6-11)10-15(21(23,24)25)28-20(16)30-18/h1-10,16,20H,26H2,(H,27,29)/t16-,20-/m1/s1
SMILES: C1[C@H]([C@H](O[C@H](O1)C2=CC=CC(=C2)COC3=CC=C(C=C3)/C(=C\CCCCC(=O)O)/C4=CN=CC=C4)C5=CC=CC=C5O)C/C=C\CCC(=O)O
InChI: InChI=1S/C41H43NO8/c43-37-17-8-7-16-36(37)40-33(12-3-1-5-18-38(44)45)28-49-41(50-40)31-13-9-11-29(25-31)27-48-34-22-20-30(21-23-34)35(32-14-10-24-42-26-32)15-4-2-6-19-39(46)47/h1,3,7-11,13-17,20-26,33,40-41,43H,2,4-6,12,18-19,27-28H2,(H,44,45)(H,46,47)/b3-1-,35-15+/t33-,40+,41+/m1/s1
SMILES: COC1=CC=C(C=C1)OCCC(=O)NNC(=S)N[C@@H]2C[C@H]3C[C@@H]2C=C3
InChI: InChI=1S/C18H23N3O3S/c1-23-14-4-6-15(7-5-14)24-9-8-17(22)20-21-18(25)19-16-11-12-2-3-13(16)10-12/h2-7,12-13,16H,8-11H2,1H3,(H,20,22)(H2,19,21,25)/t12-,13+,16-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=C(N=CC=C3)Cl
InChI: InChI=1S/C17H19ClN4O4/c1-10-5-2-3-7-12(10)22-16(25)15(24)21(17(22)26)9-13(23)20-11-6-4-8-19-14(11)18/h4,6,8,10,12H,2-3,5,7,9H2,1H3,(H,20,23)/t10-,12-/m0/s1
SMILES: CCN1CCN(CC[Si](CCN(CCN(CC[Si](CC1)(C)C)CC)CC)(C)C)CC.C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl
InChI: InChI=1S/C27H29NO11.C24H56N4Si2.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;1-9-25-13-14-26(10-2)18-23-30(7,8)24-20-28(12-4)16-15-27(11-3)19-22-29(5,6)21-17-25;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;9-24H2,1-8H3;1H/t10-,13-,15-,17-,22+,27-;;/m0../s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N[C@H]2C[C@@H]([C@H](O2)CO)O
InChI: InChI=1S/C12H16N2O5/c1-7-2-3-8(14(17)18)4-9(7)13-12-5-10(16)11(6-15)19-12/h2-4,10-13,15-16H,5-6H2,1H3/t10-,11+,12+/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2C(=O)[C@@H]3CC[C@@H]4[C@@H]([C@@H]3C2=O)[C@@H]([C@@H](CC4=NOCC(C)C)O)O
InChI: InChI=1S/C24H32N2O5/c1-13(2)12-31-25-18-11-19(27)22(28)20-16(18)9-10-17-21(20)24(30)26(23(17)29)14(3)15-7-5-4-6-8-15/h4-8,13-14,16-17,19-22,27-28H,9-12H2,1-3H3/t14-,16-,17+,19+,20-,21+,22+/m0/s1