EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CCC3C(C1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@]34OO
InChI: InChI=1S/C20H26O4/c1-3-19(22)10-8-16-15-5-4-13-12-14(21)6-11-20(13,24-23)17(15)7-9-18(16,19)2/h1,12,15-17,22-23H,4-11H2,2H3/t15?,16?,17?,18-,19-,20+/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)SCCC5=NC=CN=C5)OCC=C
InChI: InChI=1S/C48H72N4O7S/c1-4-7-8-9-10-11-12-13-14-17-25-51-47(55)58-38-22-23-43-41(33-38)45-39(21-16-19-29-54)36(20-15-18-28-53)32-40-42(52-57-6-3)34-44(48(59-43,46(40)45)56-30-5-2)60-31-24-37-35-49-26-27-50-37/h5,22-23,26-27,32-33,35-36,39,44-46,53-54H,2,4,6-21,24-25,28-31,34H2,1,3H3,(H,51,55)/t36-,39+,44-,45+,46+,48+/m0/s1
SMILES: C1[C@@H]2C[C@H]([C@H]1C=C2)CN(CC3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C22H22N2O3/c25-22(18-5-6-20-21(10-18)27-14-26-20)24(12-16-2-1-7-23-11-16)13-19-9-15-3-4-17(19)8-15/h1-7,10-11,15,17,19H,8-9,12-14H2/t15-,17+,19+/m1/s1
SMILES: C[C@H]1[C@H]2[C@H]3[C@@H]([C@H](O2)C(=C1C4=CC=C(C=C4)C)C)OC(O3)(C)C
InChI: InChI=1S/C19H24O3/c1-10-6-8-13(9-7-10)14-11(2)15-17-18(16(20-15)12(14)3)22-19(4,5)21-17/h6-9,11,15-18H,1-5H3/t11-,15+,16-,17+,18-/m1/s1
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3C([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N
InChI: InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14?,15-,16-,20-,21-/m1/s1
SMILES: C1=CC=NC(=C1)S[C@@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C23H17ClN2O2S2/c24-16-10-12-17(13-11-16)30(27,28)26-22-18-7-3-5-15-6-4-8-19(21(15)18)23(22)29-20-9-1-2-14-25-20/h1-14,22-23,26H/t22-,23+/m1/s1
SMILES: C1=CC=C(C(=C1)[C@H]2[C@@H]3[C@@H]([C@@H]([NH2+]2)C(=O)[O-])C(=O)N(C3=O)C4=CC=C(C=C4)F)O
InChI: InChI=1S/C19H15FN2O5/c20-9-5-7-10(8-6-9)22-17(24)13-14(18(22)25)16(19(26)27)21-15(13)11-3-1-2-4-12(11)23/h1-8,13-16,21,23H,(H,26,27)/t13-,14-,15-,16+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OC(=S)OC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H36O7S/c1-36-34-33(39-24-28-18-10-4-11-19-28)32(38-23-27-16-8-3-9-17-27)31(42-35(43)40-29-20-12-5-13-21-29)30(41-34)25-37-22-26-14-6-2-7-15-26/h2-21,30-34H,22-25H2,1H3/t30-,31-,32+,33-,34+/m1/s1
SMILES: CCO[C@@]12CC3=C([C@H]4[C@@]15CCN([C@@H]2CC6=C5C(=C(C=C6)O)O4)CC=C)N(C7=CC=CC=C37)C.Cl
InChI: InChI=1S/C28H30N2O3.ClH/c1-4-13-30-14-12-27-23-17-10-11-21(31)25(23)33-26(27)24-19(16-28(27,32-5-2)22(30)15-17)18-8-6-7-9-20(18)29(24)3;/h4,6-11,22,26,31H,1,5,12-16H2,2-3H3;1H/t22-,26+,27+,28-;/m1./s1
SMILES: C[C@@H](C(=O)OCC(=O)NCC(=O)NC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C18H25N3O6/c1-10(2)20-14(22)8-19-15(23)9-27-18(26)11(3)21-16(24)12-6-4-5-7-13(12)17(21)25/h4-5,10-13H,6-9H2,1-3H3,(H,19,23)(H,20,22)/t11-,12-,13+/m0/s1
SMILES: CC1CC(=C2[C@@]13CC[C@](C2(C)C)([C@@H](C3)OC(=O)C)C)C
InChI: InChI=1S/C18H28O2/c1-11-9-12(2)18-8-7-17(6,16(4,5)15(11)18)14(10-18)20-13(3)19/h12,14H,7-10H2,1-6H3/t12?,14-,17+,18-/m1/s1
SMILES: CCCN1C(=O)[C@]2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@@H]2CCCCC4)C(=O)N(C1=O)C
InChI: InChI=1S/C21H26N4O5/c1-3-10-24-19(27)21(18(26)22(2)20(24)28)13-14-12-15(25(29)30)8-9-16(14)23-11-6-4-5-7-17(21)23/h8-9,12,17H,3-7,10-11,13H2,1-2H3/t17-,21+/m1/s1
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@@]12CC[C@@]3([C@@H](C1=CC(CC2)(C)C)CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)OC(=O)CC(C)(C)C(=O)O)C)C)C
InChI: InChI=1S/C42H67NO7/c1-25(2)22-28(33(45)46)43-34(47)42-20-18-36(3,4)23-27(42)26-12-13-30-39(9)16-15-31(50-32(44)24-37(5,6)35(48)49)38(7,8)29(39)14-17-41(30,11)40(26,10)19-21-42/h23,25-26,28-31H,12-22,24H2,1-11H3,(H,43,47)(H,45,46)(H,48,49)/t26-,28+,29?,30-,31+,39+,40-,41-,42+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)C#CCC(CC#C)(C(=O)OC)C(=O)OC)OC(=O)C
InChI: InChI=1S/C21H24O9/c1-6-11-21(19(24)26-4,20(25)27-5)12-7-8-16-9-10-17(29-15(3)23)18(30-16)13-28-14(2)22/h1,9-10,16-18H,11-13H2,2-5H3/t16-,17+,18-/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)NC5=CC=C(C=C5)OC6=CC=CC=C6)CSC7=NN=NN7C8=CC=CC=C8
InChI: InChI=1S/C46H42N6O5S/c1-31-42(30-58-46-49-50-51-52(46)38-11-4-2-5-12-38)56-44(57-43(31)34-18-16-32(29-53)17-19-34)35-22-20-33(21-23-35)41-15-9-8-10-36(41)28-47-45(54)48-37-24-26-40(27-25-37)55-39-13-6-3-7-14-39/h2-27,31,42-44,53H,28-30H2,1H3,(H2,47,48,54)/t31-,42+,43+,44+/m1/s1
SMILES: CCC1=CCN2CC[C@@]34[C@@H]2C1[C@H]([C@@]([C@@H]3N(C5=CC(=C(C=C45)[C@]6(C[C@@H]7CN(CC(=C7)C(C)F)CC8=C6NC9=CC=CC=C89)C(=O)OC)OC)C)(C(=O)OC)O)OC(=O)C
InChI: InChI=1S/C45H53FN4O8/c1-8-27-13-15-50-16-14-43-31-18-32(35(55-5)19-34(31)48(4)40(43)45(54,42(53)57-7)39(58-25(3)51)36(27)38(43)50)44(41(52)56-6)20-26-17-28(24(2)46)22-49(21-26)23-30-29-11-9-10-12-33(29)47-37(30)44/h9-13,17-19,24,26,36,38-40,47,54H,8,14-16,20-23H2,1-7H3/t24?,26-,36?,38+,39-,40-,43-,44+,45-/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C=CC5=CC(=C(C(=C5)OC)O)OC)C(=O)C=C(C4=O)C
InChI: InChI=1S/C30H31NO7/c1-5-10-31-29(35)19-9-8-17-18(7-6-16-12-23(37-3)28(34)24(13-16)38-4)25-21(14-20(17)26(19)30(31)36)27(33)15(2)11-22(25)32/h6-8,11-13,18-20,26,34H,5,9-10,14H2,1-4H3/t18-,19-,20+,26-/m0/s1
SMILES: C[C@@H]([C@@H]1CC[C@]2(CO[C@@]3([C@@]2(C1)O[C@H]3COC(=O)C)C)C)C(=O)OC
InChI: InChI=1S/C18H28O6/c1-11(15(20)21-5)13-6-7-16(3)10-23-17(4)14(9-22-12(2)19)24-18(16,17)8-13/h11,13-14H,6-10H2,1-5H3/t11-,13+,14-,16-,17-,18-/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]([C@@H]5[C@](O4)(CN5C(=O)COC6=CC=CC=C6)N7C=CC(=O)NC7=O)O
InChI: InChI=1S/C39H37N3O9/c1-47-29-17-13-27(14-18-29)39(26-9-5-3-6-10-26,28-15-19-30(48-2)20-16-28)50-23-32-35(45)36-38(51-32,42-22-21-33(43)40-37(42)46)25-41(36)34(44)24-49-31-11-7-4-8-12-31/h3-22,32,35-36,45H,23-25H2,1-2H3,(H,40,43,46)/t32-,35-,36-,38-/m1/s1
SMILES: C[C@H]1CC[C@@H](O[C@@H]1[C@@H]2[C@H](CC[C@@H](O2)[C@H]3[C@@H](C(=O)CCO3)C)C)[C@H]4[C@@H](C(=O)CCO4)C
InChI: InChI=1S/C24H38O6/c1-13-5-7-19(23-15(3)17(25)9-11-27-23)29-21(13)22-14(2)6-8-20(30-22)24-16(4)18(26)10-12-28-24/h13-16,19-24H,5-12H2,1-4H3/t13-,14-,15+,16+,19+,20+,21-,22-,23+,24+/m0/s1
SMILES: C[C@H]1[C@@H]2C[C@H](C1NCC(=O)N(C3CCCCC3)C4=CC=CC=C4)CC2(C)C
InChI: InChI=1S/C24H36N2O/c1-17-21-14-18(15-24(21,2)3)23(17)25-16-22(27)26(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,17-18,20-21,23,25H,5,8-9,12-16H2,1-3H3/t17-,18-,21-,23?/m0/s1
SMILES: CC(=C)[C@H]1CN([C@H]([C@H]1C[C@@H](C=C)O)C(=O)OC)C(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C21H27NO5/c1-5-16(23)11-17-18(14(2)3)12-22(19(17)20(24)26-4)21(25)27-13-15-9-7-6-8-10-15/h5-10,16-19,23H,1-2,11-13H2,3-4H3/t16-,17+,18-,19-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@@H]([C@@H]3C(=O)C=C2C1)CC[C@@H]4OC(=O)C)C)C
InChI: InChI=1S/C23H32O5/c1-13(24)27-16-7-9-22(3)15(11-16)12-19(26)21-17-5-6-20(28-14(2)25)23(17,4)10-8-18(21)22/h12,16-18,20-21H,5-11H2,1-4H3/t16-,17+,18-,20-,21-,22-,23-/m0/s1
SMILES: CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C#N)C4=CC=C(C=C4)Cl)C
InChI: InChI=1S/C24H25ClN2O6S/c1-24(2)7-14-18(15(29)8-24)17(11-3-5-12(25)6-4-11)13(9-26)23(34)27(14)22-21(32)20(31)19(30)16(10-28)33-22/h3-6,16,19-22,28,30-32H,7-8,10H2,1-2H3/t16-,19-,20+,21-,22-/m1/s1
SMILES: CO[C@@]12[C@@H](C3=C(N1C[C@H]4[C@@H]2N4)C(=O)C(=C(C3=O)N)CSCCO)COC(=O)N
InChI: InChI=1S/C17H22N4O6S/c1-26-17-8(5-27-16(19)25)10-12(21(17)4-9-15(17)20-9)13(23)7(6-28-3-2-22)11(18)14(10)24/h8-9,15,20,22H,2-6,18H2,1H3,(H2,19,25)/t8-,9+,15+,17-/m1/s1
SMILES: C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45C3(CC[C@](C4)(C(=C)C5=O)OC)C)OC2=O
InChI: InChI=1S/C21H28O4/c1-13-15(22)19-9-6-14-17(2)7-5-8-21(14,25-16(17)23)18(19,3)10-11-20(13,12-19)24-4/h14H,1,5-12H2,2-4H3/t14-,17-,18?,19+,20+,21+/m1/s1
SMILES: C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C)[C@H]([C@@]3([C@@H](C=C[C@H]4[C@H]3[C@@](C2=O)(OC4(C)C)C)OC(=O)C5=CN=CC=C5)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H41NO12/c1-17-14-34(46-21(5)39)25(26(17)43-19(3)37)28(44-20(4)38)33(16-42-18(2)36)24(45-29(40)22-10-9-13-35-15-22)12-11-23-27(33)32(8,30(34)41)47-31(23,6)7/h9-13,15,17,23-28H,14,16H2,1-8H3/t17-,23-,24+,25+,26-,27-,28+,32-,33+,34+/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC(=O)CC[C@@H]1C[C@H]1[C@H](C2=CC=CC=C2)NP(=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C34H46NO3PSi/c1-25(2)40(26(3)4,27(5)6)38-33(36)23-22-29-24-32(29)34(28-16-10-7-11-17-28)35-39(37,30-18-12-8-13-19-30)31-20-14-9-15-21-31/h7-21,25-27,29,32,34H,22-24H2,1-6H3,(H,35,37)/t29-,32-,34+/m1/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI: InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)COP(=O)([O-])[O-])O)C
InChI: InChI=1S/C21H31O7P/c1-19-8-5-14(22)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,24)18(23)12-28-29(25,26)27/h11,15-17,24H,3-10,12H2,1-2H3,(H2,25,26,27)/p-2/t15-,16+,17+,19+,20+,21+/m1/s1
SMILES: C[C@@]12C3[C@@H](CCC[C@@H]4[C@](C35CC5)(O4)C=C1Cl)C(=O)O2
InChI: InChI=1S/C15H17ClO3/c1-13-9(16)7-15-10(18-15)4-2-3-8(12(17)19-13)11(13)14(15)5-6-14/h7-8,10-11H,2-6H2,1H3/t8-,10-,11?,13+,15-/m1/s1
SMILES: C1CCC(C1)C2=NC(=NC=C2)N[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)NC5=CC=CC=C5
InChI: InChI=1S/C22H26N4O4/c27-22(24-15-8-2-1-3-9-15)30-18-13-29-19-17(12-28-20(18)19)26-21-23-11-10-16(25-21)14-6-4-5-7-14/h1-3,8-11,14,17-20H,4-7,12-13H2,(H,24,27)(H,23,25,26)/t17-,18+,19+,20+/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)[C@@](C)(CC2=CC=CC=C2)C(=O)C)C(C)C
InChI: InChI=1S/C22H32O3/c1-15(2)19-12-11-16(3)13-20(19)25-21(24)22(5,17(4)23)14-18-9-7-6-8-10-18/h6-10,15-16,19-20H,11-14H2,1-5H3/t16-,19-,20-,22+/m1/s1
SMILES: CCCCCCCCCC[N+]1=CC=CC2=C1CC[C@H]3[C@@H]2N(CC3)C.[I-]
InChI: InChI=1S/C22H37N2.HI/c1-3-4-5-6-7-8-9-10-16-24-17-11-12-20-21(24)14-13-19-15-18-23(2)22(19)20;/h11-12,17,19,22H,3-10,13-16,18H2,1-2H3;1H/q+1;/p-1/t19-,22+;/m1./s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OCCSC6=CC=CC=C6)CCCCO)CCCCO)SCCC7=NC=CN=C7
InChI: InChI=1S/C48H56N4O8S2/c1-2-25-58-48-45(62-27-20-36-32-49-21-22-50-36)31-43(51-59-33-34-14-16-37(17-15-34)52(55)56)41-29-35(10-6-8-23-53)40(13-7-9-24-54)46(47(41)48)42-30-38(18-19-44(42)60-48)57-26-28-61-39-11-4-3-5-12-39/h2-5,11-12,14-19,21-22,29-30,32,35,40,45-47,53-54H,1,6-10,13,20,23-28,31,33H2/t35-,40+,45-,46+,47+,48+/m0/s1
SMILES: COC1=CC2=C(C=C1)[C@H]([C@@H](C2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5
InChI: InChI=1S/C28H31NO2/c1-30-25-13-14-26-23(19-25)20-27(21-7-3-2-4-8-21)28(26)22-9-11-24(12-10-22)31-18-17-29-15-5-6-16-29/h2-4,7-14,19,27-28H,5-6,15-18,20H2,1H3/t27-,28+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CN)O)O)N)O)O)N
InChI: InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
SMILES: CC(C)(C)OC(=O)N1CC=C2[C@@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)Br)OC
InChI: InChI=1S/C24H24BrN5O3/c1-23(2,3)33-22(31)30-8-7-15-17(10-26)21(29)24(12-27,13-28)20(18(15)11-30)16-9-14(25)5-6-19(16)32-4/h5-7,9,18,20H,8,11,29H2,1-4H3/t18-,20-/m1/s1
SMILES: CC1=CC(=C(C(=C1[C@H]2[C@@H]3CCCC=C3[C@H](C(=N)C2(C#N)C#N)C#N)C)[N+](=O)[O-])C
InChI: InChI=1S/C22H21N5O2/c1-12-8-13(2)20(27(28)29)14(3)18(12)19-16-7-5-4-6-15(16)17(9-23)21(26)22(19,10-24)11-25/h6,8,16-17,19,26H,4-5,7H2,1-3H3/t16-,17-,19-/m1/s1
SMILES: CCN1C[C@]2([C@H]3[C@H]([C@@H]4C1[C@]3([C@H](CC2=O)OC)[C@@H]5C[C@@]6([C@H](C[C@]4([C@H]5[C@H]6OC(=O)C7=CC=C(C=C7)OC)OC(=O)C)OC)O)OC)COC
InChI: InChI=1S/C35H47NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21,23-30,40H,8,13-17H2,1-7H3/t21-,23+,24+,25-,26-,27+,28-,29?,30-,32+,33+,34-,35+/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@@]4([C@@H]3CC[C@@]2(C1)C)C
InChI: InChI=1S/C21H34O2/c1-14(22)23-16-12-19-17-8-7-15-6-4-5-10-21(15,3)18(17)9-11-20(19,2)13-16/h15-19H,4-13H2,1-3H3/t15-,16-,17+,18+,19+,20+,21-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@H]3CC=C4C[C@@H](CC[C@@]4([C@@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)OP(=O)([O-])[O-]
InChI: InChI=1S/C22H35O6P/c1-13-11-19-17-6-5-15-12-16(28-29(25,26)27)7-9-20(15,3)18(17)8-10-21(19,4)22(13,24)14(2)23/h5,13,16-19,24H,6-12H2,1-4H3,(H2,25,26,27)/p-2/t13-,16-,17+,18-,19+,20+,21+,22+/m1/s1
SMILES: CCOC(=O)C([C@H]1[C@@H](OC(=O)C12C3[C@]2(C(=O)O[C@H]3O[C@@H]4C[C@@H](CC[C@H]4C(C)C)C)Br)O[C@@H]5C[C@@H](CC[C@H]5C(C)C)C)C(=O)OCC
InChI: InChI=1S/C35H53BrO10/c1-9-41-28(37)25(29(38)42-10-2)26-30(43-23-15-19(7)11-13-21(23)17(3)4)45-32(39)34(26)27-31(46-33(40)35(27,34)36)44-24-16-20(8)12-14-22(24)18(5)6/h17-27,30-31H,9-16H2,1-8H3/t19-,20-,21+,22+,23-,24-,26+,27?,30-,31-,34?,35-/m1/s1
SMILES: C[C@H](COCC1=CC=CC=C1)[C@H]2C(=O)O[C@H]3[C@@]2(CCC[C@@H]3I)C
InChI: InChI=1S/C19H25IO3/c1-13(11-22-12-14-7-4-3-5-8-14)16-18(21)23-17-15(20)9-6-10-19(16,17)2/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3/t13-,15+,16+,17-,19-/m1/s1
SMILES: C[C@H](/C=C/C(C(C)C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C30H48O2/c1-18(2)23(19(3)4)9-8-20(5)24-10-11-25-28-26(13-15-30(24,25)7)29(6)14-12-22(31)16-21(29)17-27(28)32/h8-9,17-20,22-26,28,31H,10-16H2,1-7H3/b9-8+/t20-,22+,24-,25+,26+,28+,29+,30-/m1/s1
SMILES: CC(=O)N1[C@@H]([C@H]2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=CC=C4
InChI: InChI=1S/C20H20N2O2/c1-13(23)22-20(14-6-4-3-5-7-14)18-10-8-15-12-16(24-2)9-11-17(15)19(18)21-22/h3-7,9,11-12,18,20H,8,10H2,1-2H3/t18-,20+/m0/s1
SMILES: C[C@]12CC[C@@H]3C[C@@]1(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)OC3O
InChI: InChI=1S/C18H34O3Si/c1-16(2,3)22(5,6)21-14-8-7-10-18-12-13(15(19)20-18)9-11-17(14,18)4/h13-15,19H,7-12H2,1-6H3/t13-,14+,15?,17-,18-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@]1(CCC2=O)O)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C19H24O3/c1-18-9-7-15-14-5-4-13(22-2)11-12(14)3-6-16(15)19(18,21)10-8-17(18)20/h4-5,11,15-16,21H,3,6-10H2,1-2H3/t15-,16-,18-,19-/m1/s1
SMILES: C[Si](C)(C)C1=C2CN3CC[C@]4([C@@H]3C[C@@H](C=C4)O)C2=C5C(=C1)OC(O5)(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C31H33NO3Si/c1-36(2,3)26-19-25-29(28-24(26)20-32-17-16-30(28)15-14-23(33)18-27(30)32)35-31(34-25,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-15,19,23,27,33H,16-18,20H2,1-3H3/t23-,27+,30-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C(C)(C)C)[C@]3([NH2+]1)C4=C(C=CC(=C4)F)NC3=O
InChI: InChI=1S/C18H20FN3O3/c1-8-12-13(15(24)22(14(12)23)17(2,3)4)18(21-8)10-7-9(19)5-6-11(10)20-16(18)25/h5-8,12-13,21H,1-4H3,(H,20,25)/p+1/t8-,12+,13-,18+/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NCC3=CC=CC=C3Cl
InChI: InChI=1S/C20H24ClN3O5/c1-13-6-4-5-9-20(13)18(27)24(19(28)23-20)11-17(26)29-12-16(25)22-10-14-7-2-3-8-15(14)21/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,22,25)(H,23,28)/t13-,20+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)C4=C3C=CC5=C4C(=O)[C@@H]6[C@H]5[C@H]7CC[C@@H]6C7
InChI: InChI=1S/C22H22O2/c23-21-17-11-3-1-9(7-11)15(17)13-5-6-14-16-10-2-4-12(8-10)18(16)22(24)20(14)19(13)21/h5-6,9-12,15-18H,1-4,7-8H2/t9-,10+,11+,12-,15-,16+,17-,18+
SMILES: CC(C)C[C@H](CC(=O)O)C(=O)N[C@@H]1[C@H]([C@H]1C2=CC=C(C=C2)OC)COC=O
InChI: InChI=1S/C20H27NO6/c1-12(2)8-14(9-17(23)24)20(25)21-19-16(10-27-11-22)18(19)13-4-6-15(26-3)7-5-13/h4-7,11-12,14,16,18-19H,8-10H2,1-3H3,(H,21,25)(H,23,24)/t14-,16+,18-,19-/m1/s1
SMILES: CCOC1O[C@]23C=C4CC(=O)C(=C4[C@@]2(O1)C=C5C3=C(C(=O)C5)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C35H54O5Si2/c1-14-38-33-39-34-18-26-16-28(37)32(42(22(8)9,23(10)11)24(12)13)30(26)35(34,40-33)17-25-15-27(36)31(29(25)34)41(19(2)3,20(4)5)21(6)7/h17-24,33H,14-16H2,1-13H3/t34-,35-/m0/s1
SMILES: C[C@@H]1C[NH+](CC[C@@H]1O)C(C)(C)C#CC#CC(C)(C)[NH+]2CC[C@H]([C@H](C2)C)O
InChI: InChI=1S/C22H36N2O2/c1-17-15-23(13-9-19(17)25)21(3,4)11-7-8-12-22(5,6)24-14-10-20(26)18(2)16-24/h17-20,25-26H,9-10,13-16H2,1-6H3/p+2/t17-,18+,19+,20-
SMILES: C[C@H](CC1=CC=CC=C1)[C@@H](C(=C)CC[C@@]23[C@@H]([C@H]([C@@](O2)(C[C@H](O3)CO)COCOC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C45H54O8/c1-34(41(49-29-37-18-10-5-11-19-37)35(2)26-36-16-8-4-9-17-36)24-25-45-43(51-31-39-22-14-7-15-23-39)42(50-30-38-20-12-6-13-21-38)44(53-45,32-48-33-47-3)27-40(28-46)52-45/h4-23,35,40-43,46H,1,24-33H2,2-3H3/t35-,40+,41-,42-,43-,44-,45+/m1/s1
SMILES: CC1=C(SC(=N1)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)C
InChI: InChI=1S/C14H16N2O3S/c1-6-7(2)20-14(15-6)16-12(17)10-8-3-4-9(5-8)11(10)13(18)19/h3-4,8-11H,5H2,1-2H3,(H,18,19)(H,15,16,17)/p-1/t8-,9+,10-,11+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3CC[C@H]([C@@H](N3C(=O)OC)C(=O)OC)C=C
InChI: InChI=1S/C28H37NO5Si/c1-7-21-18-19-22(29(27(31)33-6)25(21)26(30)32-5)20-34-35(28(2,3)4,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h7-17,21-22,25H,1,18-20H2,2-6H3/t21-,22+,25-/m1/s1
SMILES: [2H]C([2H])C[C@@H]1C=C[C@H]([C@H]([C@H]([C@@H]1O)C)OCC2=CC=CC=C2)C
InChI: InChI=1S/C18H26O2/c1-4-16-11-10-13(2)18(14(3)17(16)19)20-12-15-8-6-5-7-9-15/h5-11,13-14,16-19H,4,12H2,1-3H3/t13-,14+,16-,17+,18-/m1/s1/i1D2
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2NC(=O)CCl)C(C)C
InChI: InChI=1S/C19H26ClNO3/c1-12(2)14-9-8-13(3)10-17(14)24-19(23)15-6-4-5-7-16(15)21-18(22)11-20/h4-7,12-14,17H,8-11H2,1-3H3,(H,21,22)/t13-,14+,17-/m1/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@@H]3C[C@@H](O[C@@H](O3)C4=CC=CC(=C4)C5=CC=CC(=C5)CNC(=O)C6=CC=CC=C6)C7=CC=C(C=C7)CO
InChI: InChI=1S/C46H55N3O5/c1-46(2,3)48-44(52)41-24-23-33-12-7-8-18-40(33)49(41)29-39-27-42(34-21-19-31(30-50)20-22-34)54-45(53-39)38-17-10-16-37(26-38)36-15-9-11-32(25-36)28-47-43(51)35-13-5-4-6-14-35/h4-6,9-11,13-17,19-22,25-26,33,39-42,45,50H,7-8,12,18,23-24,27-30H2,1-3H3,(H,47,51)(H,48,52)/t33-,39+,40-,41-,42-,45-/m1/s1
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)CC(CCC(C(=O)O)N)N
InChI: InChI=1S/C16H25N7O4/c17-8(1-2-9(18)16(26)27)3-7-4-10(13(25)12(7)24)23-6-22-11-14(19)20-5-21-15(11)23/h5-10,12-13,24-25H,1-4,17-18H2,(H,26,27)(H2,19,20,21)/t7-,8?,9?,10+,12+,13-/m0/s1
SMILES: CC(=CC#CC(=C)[C@H]1C[C@@H](/C(=C\OC(=O)C)/C[C@H]1O)OC(=O)C)C
InChI: InChI=1S/C19H24O5/c1-12(2)7-6-8-13(3)17-10-19(24-15(5)21)16(9-18(17)22)11-23-14(4)20/h7,11,17-19,22H,3,9-10H2,1-2,4-5H3/b16-11-/t17-,18-,19+/m1/s1
SMILES: CNC(=O)[C@H]1C[C@H]1[C@@H](C(=O)N2CCC[C@H]2C(=O)N)N
InChI: InChI=1S/C12H20N4O3/c1-15-11(18)7-5-6(7)9(13)12(19)16-4-2-3-8(16)10(14)17/h6-9H,2-5,13H2,1H3,(H2,14,17)(H,15,18)/t6-,7+,8+,9+/m1/s1
SMILES: CNC(=O)OCCCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCCCOC(=O)NC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3
InChI: InChI=1S/C33H48N4O7/c1-34-31(40)43-21-13-5-11-19-36-27(23-25-15-7-3-8-16-25)29(38)30(39)28(24-26-17-9-4-10-18-26)37(33(36)42)20-12-6-14-22-44-32(41)35-2/h3-4,7-10,15-18,27-30,38-39H,5-6,11-14,19-24H2,1-2H3,(H,34,40)(H,35,41)/t27-,28-,29+,30+/m1/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@@H]3[C@H]([C@@H]([C@H](S3)CO)O)O)F)N
InChI: InChI=1S/C10H12FN5O3S/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9+/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@@H]([C@H](C(O2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C
InChI: InChI=1S/C23H24O8/c1-23(2)27-13-16(31-23)17-18(29-20(24)14-9-5-3-6-10-14)19(22(26)28-17)30-21(25)15-11-7-4-8-12-15/h3-12,16-19,22,26H,13H2,1-2H3/t16-,17+,18+,19-,22?/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=C(C=CC(=C2)Br)F)/C#N
InChI: InChI=1S/C17H18BrFN2O/c1-11-4-2-3-5-16(11)21-17(22)13(10-20)8-12-9-14(18)6-7-15(12)19/h6-9,11,16H,2-5H2,1H3,(H,21,22)/b13-8+/t11-,16-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C26H26N2O6S/c1-26(2,3)34-25(32)27-19-22(30)28-20(18(14-29)15-35-23(19)28)24(31)33-21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14,19,21,23H,15H2,1-3H3,(H,27,32)/t19-,23-/m1/s1
SMILES: C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
InChI: InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26?,27?/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=CC(=C(C=C3)OC)Cl
InChI: InChI=1S/C20H23ClN2O6/c1-12-5-3-4-8-20(12)18(26)23(19(27)22-20)10-17(25)29-11-15(24)13-6-7-16(28-2)14(21)9-13/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,22,27)/t12-,20+/m1/s1
SMILES: C1[C@@H](C2=C(C=CC3=C2C=CC(=C3)OC(=O)C4=CC=CC=C4)[C@@]56C1C(=C(F)F)C[C@@H]5C6)O
InChI: InChI=1S/C26H20F2O3/c27-24(28)19-11-16-13-26(16)20-9-6-15-10-17(31-25(30)14-4-2-1-3-5-14)7-8-18(15)23(20)22(29)12-21(19)26/h1-10,16,21-22,29H,11-13H2/t16-,21?,22+,26+/m1/s1
SMILES: C1=CC=C(C(=C1)/C=N\NC2=NC3=C(N=CN=C3N2[C@@H]4[C@H]([C@H]([C@@H](O4)CO)O)O)N)OCC5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H24N8O7/c25-21-18-22(27-12-26-21)31(23-20(35)19(34)17(10-33)39-23)24(29-18)30-28-9-14-3-1-2-4-16(14)38-11-13-5-7-15(8-6-13)32(36)37/h1-9,12,17,19-20,23,33-35H,10-11H2,(H,29,30)(H2,25,26,27)/b28-9-/t17-,19-,20-,23-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=C(C=CC(=C3)F)F
InChI: InChI=1S/C20H25F2N3O3/c1-11-5-4-6-16(12(11)2)23-17(26)10-25-18(27)20(3,24-19(25)28)14-9-13(21)7-8-15(14)22/h7-9,11-12,16H,4-6,10H2,1-3H3,(H,23,26)(H,24,28)/t11-,12-,16-,20-/m1/s1
SMILES: CO[C]1[CH][CH][C@H]2[C@@H](C[C@@H]1N2C(=O)OC)C(=O)OC
InChI: InChI=1S/C12H16NO5/c1-16-10-5-4-8-7(11(14)17-2)6-9(10)13(8)12(15)18-3/h4-5,7-9H,6H2,1-3H3/t7-,8+,9+/m1/s1
SMILES: CCOCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)CO)C(=O)NCCO)C(=O)C(C)C
InChI: InChI=1S/C26H38N2O8/c1-5-35-10-6-8-28(26(33)15(2)3)19-13-18(25(32)27-7-9-29)21-17-11-16(14-30)12-20(34-4)23(17)36-24(21)22(19)31/h11-13,15,19,21-22,24,29-31H,5-10,14H2,1-4H3,(H,27,32)/t19-,21+,22+,24+/m1/s1
SMILES: CCCCCCC/C=C/C/C=C/CC[C@@H]1[C@@H]2[C@@H](O2)C(O1)OCC
InChI: InChI=1S/C20H34O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(23-18)20(22-17)21-4-2/h10-11,13-14,17-20H,3-9,12,15-16H2,1-2H3/b11-10+,14-13+/t17-,18-,19-,20?/m1/s1
SMILES: CC1=C(C[C@H]([C@H](C1)C(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)F)C(=O)[O-])C
InChI: InChI=1S/C20H21FN2O3S/c1-10-8-15(16(19(25)26)9-11(10)2)18(24)23-20-22-17(12(3)27-20)13-4-6-14(21)7-5-13/h4-7,15-16H,8-9H2,1-3H3,(H,25,26)(H,22,23,24)/p-1/t15-,16+/m0/s1
SMILES: CC(=CCC[C@@](C)(C1CC[C@@]2(C1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O)C
InChI: InChI=1S/C30H50O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-24,32H,9,11-19H2,1-8H3/t21?,22?,23-,24+,27-,28+,29+,30-/m0/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O
InChI: InChI=1S/C18H23N4O14P/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
SMILES: CCCCCCCCCCCCCCCCNC(CC(=O)OCC)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C35H59NO6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-36-29(26-30(37)38-6-2)31-32(39-27-28-23-20-19-21-24-28)33-34(40-31)42-35(3,4)41-33/h19-21,23-24,29,31-34,36H,5-18,22,25-27H2,1-4H3/t29?,31-,32+,33-,34-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CN(C)CC3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C18H23Cl2N3O2/c1-12-5-3-4-8-18(12)16(24)23(17(25)21-18)11-22(2)10-13-6-7-14(19)15(20)9-13/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,21,25)/t12-,18-/m1/s1
SMILES: CC1=CC(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4C[C@H](O3)OC)(OC5)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C33H58O6Si2/c1-20-15-21(34)18-31(8)22(20)16-24-33-19-36-32(9,23(33)17-25(35-10)37-24)28(39-41(13,14)30(5,6)7)26(27(31)33)38-40(11,12)29(2,3)4/h15,22-28H,16-19H2,1-14H3/t22-,23-,24+,25-,26+,27+,28-,31-,32-,33+/m0/s1
SMILES: COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C=C[C@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2-3,6-8,10-14,16-22H,4-5H2,1H3/t7-,8+,10+,11+,12+,13-,14+,16-,17-/m0/s1