EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OP(=S)(O)OCC5=[N+](C=CC(=C5)OC)[O-]
InChI: InChI=1S/C33H40N3O9PSSi/c1-23-20-35(32(38)34-31(23)37)30-19-28(45-46(40,47)42-21-24-18-25(41-5)16-17-36(24)39)29(44-30)22-43-48(33(2,3)4,26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-18,20,28-30H,19,21-22H2,1-5H3,(H,40,47)(H,34,37,38)/t28-,29+,30+,46?/m0/s1
SMILES: C1C[NH+]2C[C@@H]([C@@H]1C[C@@H]2CN3C=C(N=N3)COC4=CC=CC=C4)C(=O)NC5=NC=CS5
InChI: InChI=1S/C21H24N6O2S/c28-20(23-21-22-7-9-30-21)19-13-26-8-6-15(19)10-17(26)12-27-11-16(24-25-27)14-29-18-4-2-1-3-5-18/h1-5,7,9,11,15,17,19H,6,8,10,12-14H2,(H,22,23,28)/p+1/t15-,17+,19-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C23H15BrCl2N2O3/c24-13-6-9-15(10-7-13)27-22(29)19-20(17-11-8-14(25)12-18(17)26)28(31-21(19)23(27)30)16-4-2-1-3-5-16/h1-12,19-21H/t19-,20+,21+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)O)Cl)C5=CC=C(C=C5)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)CCC(=O)O
InChI: InChI=1S/C29H23Cl2FN2O7/c30-28-13-20-18(9-10-19-22(20)25(39)33(24(19)38)12-11-21(36)37)23(14-1-7-17(35)8-2-14)29(28,31)27(41)34(26(28)40)16-5-3-15(32)4-6-16/h1-9,19-20,22-23,35H,10-13H2,(H,36,37)/t19-,20+,22-,23-,28+,29-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C4=CN(N=N4)C[C@@H](CO)O)O)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C23H31N3O4/c1-22-8-6-18-17-5-3-15(28)10-14(17)2-4-19(18)20(22)7-9-23(22,30)21-12-26(25-24-21)11-16(29)13-27/h3,5,10,12,16,18-20,27-30H,2,4,6-9,11,13H2,1H3/t16-,18+,19+,20-,22-,23+/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N3CCC4=CC=CC=C43
InChI: InChI=1S/C19H23N3O3/c1-13-6-4-5-10-19(13)17(24)22(18(25)20-19)12-16(23)21-11-9-14-7-2-3-8-15(14)21/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,20,25)/t13-,19+/m0/s1
SMILES: C[C@@H]1[C@@H](OC(=O)C(C1=O)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C14H15NO5/c1-8-11(20-13(17)14(2,3)12(8)16)9-4-6-10(7-5-9)15(18)19/h4-8,11H,1-3H3/t8-,11-/m1/s1
SMILES: C[C@@H]1[C@@H]2CC(=O)[C@]3(CCCC(=C3[C@@H]2OC1=O)C)C
InChI: InChI=1S/C15H20O3/c1-8-5-4-6-15(3)11(16)7-10-9(2)14(17)18-13(10)12(8)15/h9-10,13H,4-7H2,1-3H3/t9-,10+,13-,15-/m1/s1
SMILES: CC1([C@H]([C@@H]([C@H](C1=O)C/C=C/CCC(=O)N)/C=C/C(CC2=CC3=CC=CC=C3S2)O)O)C
InChI: InChI=1S/C25H31NO4S/c1-25(2)23(29)19(9-4-3-5-11-22(26)28)20(24(25)30)13-12-17(27)15-18-14-16-8-6-7-10-21(16)31-18/h3-4,6-8,10,12-14,17,19-20,24,27,30H,5,9,11,15H2,1-2H3,(H2,26,28)/b4-3+,13-12+/t17?,19-,20-,24+/m1/s1
SMILES: CC1([C@H]2[C@@H]([C@@H](N1C)C3=CC=C(C=C3)Br)[C@@](N(C2=O)CC4=CC5=C(C=C4)OCO5)(C(F)(F)F)O[Si](C)(C)C)C
InChI: InChI=1S/C27H32BrF3N2O4Si/c1-25(2)22-21(23(32(25)3)17-8-10-18(28)11-9-17)26(27(29,30)31,37-38(4,5)6)33(24(22)34)14-16-7-12-19-20(13-16)36-15-35-19/h7-13,21-23H,14-15H2,1-6H3/t21-,22-,23-,26-/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@H]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C
InChI: InChI=1S/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16-,17-,18+,19+,20+,21-,22+,23-,24+,25-,26+,27+/m0/s1
SMILES: CCC(C)C(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O
InChI: InChI=1S/C45H55NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h10-19,23,29-31,33-36,38,49-50,55H,9,20-22H2,1-8H3,(H,46,52)/t23?,29-,30+,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
SMILES: C[C@@H]1[C@H]2CC=CC(=O)[C@@](C2)([C@@H]([C@@H]3[C@H]1OC(O3)(C)C)C)C
InChI: InChI=1S/C17H26O3/c1-10-12-7-6-8-13(18)17(5,9-12)11(2)15-14(10)19-16(3,4)20-15/h6,8,10-12,14-15H,7,9H2,1-5H3/t10-,11-,12+,14+,15-,17+/m1/s1
SMILES: COC1=C2C(=C(C3=C1OCO3)O)[C@@H]([C@H](CO2)C4=CC=CC=C4)O
InChI: InChI=1S/C17H16O6/c1-20-16-14-11(13(19)15-17(16)23-8-22-15)12(18)10(7-21-14)9-5-3-2-4-6-9/h2-6,10,12,18-19H,7-8H2,1H3/t10-,12-/m1/s1
SMILES: CCOC(=O)[C@@H]1C[C@@H]1CN(CC2=CC3=C(C=C2)OCO3)C(=O)C
InChI: InChI=1S/C17H21NO5/c1-3-21-17(20)14-7-13(14)9-18(11(2)19)8-12-4-5-15-16(6-12)23-10-22-15/h4-6,13-14H,3,7-10H2,1-2H3/t13-,14-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1SCC2=CC=C(C=C2)I)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H26INO8S/c1-11(24)23-18-20(30-14(4)27)19(29-13(3)26)17(9-28-12(2)25)31-21(18)32-10-15-5-7-16(22)8-6-15/h5-8,17-21H,9-10H2,1-4H3,(H,23,24)/t17-,18-,19+,20-,21-/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@](O[C@H]([C@@H]1N=[N+]=[N-])[C@@H]([C@H]2COC(O2)(C)C)OC(=O)C)(C(=O)OC)OCC3=CC=CC=C3
InChI: InChI=1S/C24H31N3O10/c1-14(28)34-17-11-24(22(30)31-5,33-12-16-9-7-6-8-10-16)37-21(19(17)26-27-25)20(35-15(2)29)18-13-32-23(3,4)36-18/h6-10,17-21H,11-13H2,1-5H3/t17-,18+,19+,20+,21+,24+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC(=S)NC3=CC=CC(=C3)C#N)NC4=NC=CC(=N4)C5=CC=C(C=C5)C6=CC=CC=C6
InChI: InChI=1S/C30H26N6O2S/c31-16-19-5-4-8-23(15-19)33-30(39)36-26-18-38-27-25(17-37-28(26)27)35-29-32-14-13-24(34-29)22-11-9-21(10-12-22)20-6-2-1-3-7-20/h1-15,25-28H,17-18H2,(H,32,34,35)(H2,33,36,39)/t25-,26-,27+,28+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)CC=C4[C@@]3(CCCC4)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C31H58O2Si2/c1-28(2,3)34(8,9)32-22-31-20-13-12-14-23(31)15-16-24-25-17-18-27(30(25,7)21-19-26(24)31)33-35(10,11)29(4,5)6/h15,24-27H,12-14,16-22H2,1-11H3/t24-,25-,26-,27-,30-,31+/m0/s1
SMILES: CCOC(O[C@H]\1[C@](CCC/C1=C/CC/C=C/2\[C@@H]([C@@](CCC2)(CO[Si](C(C)(C)C)(C)C)C)OC(OCC)C)(CO[Si](C(C)(C)C)(C)C)C)C
InChI: InChI=1S/C40H78O6Si2/c1-17-41-31(3)45-35-33(25-21-27-39(35,11)29-43-47(13,14)37(5,6)7)23-19-20-24-34-26-22-28-40(12,36(34)46-32(4)42-18-2)30-44-48(15,16)38(8,9)10/h23-24,31-32,35-36H,17-22,25-30H2,1-16H3/b33-23-,34-24-/t31?,32?,35-,36+,39-,40+
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC=CC=C4)C(=O)C5CCCC5)C(=O)NCCO)CO
InChI: InChI=1S/C30H36N2O7/c1-38-24-14-19(17-34)13-21-25-22(29(36)31-11-12-33)15-23(26(35)28(25)39-27(21)24)32(16-18-7-3-2-4-8-18)30(37)20-9-5-6-10-20/h2-4,7-8,13-15,20,23,25-26,28,33-35H,5-6,9-12,16-17H2,1H3,(H,31,36)/t23-,25+,26+,28+/m1/s1
SMILES: CC1(N([C@@H](CO1)[C@@H]2C[C@H]2C3=CC=CC=C3)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C19H27NO3/c1-18(2,3)23-17(21)20-16(12-22-19(20,4)5)15-11-14(15)13-9-7-6-8-10-13/h6-10,14-16H,11-12H2,1-5H3/t14-,15+,16-/m0/s1
SMILES: COC(=O)[C@]12[C@@H](N1[C@@H]3CC(=O)N3[C@H]2C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C5=C(C=CC=C5Cl)Cl
InChI: InChI=1S/C22H17Cl2N3O7/c1-33-21(30)22-18(17-13(23)3-2-4-14(17)24)26(22)15-9-16(28)25(15)19(22)20(29)34-10-11-5-7-12(8-6-11)27(31)32/h2-8,15,18-19H,9-10H2,1H3/t15-,18+,19+,22-,26?/m1/s1
SMILES: CC[NH+]1CCN(CC1)C(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)[O-])C3=C(C)C
InChI: InChI=1S/C18H28N2O3/c1-4-19-7-9-20(10-8-19)17(21)15-12-5-6-13(14(12)11(2)3)16(15)18(22)23/h12-13,15-16H,4-10H2,1-3H3,(H,22,23)/t12-,13+,15-,16-/m0/s1
SMILES: C[C@@H](C(=O)NCC1=CC=C(C=C1)C2O[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CN5CCC6=CC(=C(C=C6C5)OC)OC)OC(=O)C
InChI: InChI=1S/C41H46N2O8/c1-26(49-27(2)45)40(46)42-22-28-10-16-32(17-11-28)41-50-37(24-43-19-18-33-20-35(47-3)36(48-4)21-34(33)23-43)38(30-8-6-5-7-9-30)39(51-41)31-14-12-29(25-44)13-15-31/h5-17,20-21,26,37-39,41,44H,18-19,22-25H2,1-4H3,(H,42,46)/t26-,37+,38+,39-,41?/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C=C5)OC)O)C(=O)N(C4=O)C)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C29H26ClFN2O6/c1-29-18(26(36)33(28(29)38)14-5-8-20(31)19(30)11-14)12-17-15(6-7-16-23(17)27(37)32(2)25(16)35)24(29)13-4-9-22(39-3)21(34)10-13/h4-6,8-11,16-18,23-24,34H,7,12H2,1-3H3/t16-,17+,18-,23-,24-,29+/m0/s1
SMILES: CO[C@]12[C@H]([C@H](NO1)C3=CC=CC=C3O)[NH+]4CCC2CC4
InChI: InChI=1S/C15H20N2O3/c1-19-15-10-6-8-17(9-7-10)14(15)13(16-20-15)11-4-2-3-5-12(11)18/h2-5,10,13-14,16,18H,6-9H2,1H3/p+1/t13-,14+,15+/m1/s1
SMILES: CC1=CC2=C([C@@H]3[C@@H]4CC5=C([C@@H](N4[C@H]([C@H](C2)N3C)C#N)CNC(=O)[C@H](C)N)C(=O)C(=C(C5=O)C)OC)C(=C1OC)O
InChI: InChI=1S/C29H35N5O6/c1-12-7-15-8-17-19(10-30)34-18(23(33(17)4)21(15)25(36)27(12)39-5)9-16-22(20(34)11-32-29(38)14(3)31)26(37)28(40-6)13(2)24(16)35/h7,14,17-20,23,36H,8-9,11,31H2,1-6H3,(H,32,38)/t14-,17-,18-,19-,20-,23-/m0/s1
SMILES: CC(=O)[C@@H]1[C@@H](C(=O)N1C2=CC=C(C=C2)OC)OC3=CC=CC=C3
InChI: InChI=1S/C18H17NO4/c1-12(20)16-17(23-15-6-4-3-5-7-15)18(21)19(16)13-8-10-14(22-2)11-9-13/h3-11,16-17H,1-2H3/t16-,17+/m1/s1
SMILES: C[C@@]12CCC(C1(C)C)C[C@H]2OC(=O)/C=C\C3=CC=C(C=C3)O
InChI: InChI=1S/C19H24O3/c1-18(2)14-10-11-19(18,3)16(12-14)22-17(21)9-6-13-4-7-15(20)8-5-13/h4-9,14,16,20H,10-12H2,1-3H3/b9-6-/t14?,16-,19+/m1/s1
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C23H28N2O5/c1-3-13-6-5-7-14(4-2)21(13)24-17(26)12-30-18(27)11-25-22(28)19-15-8-9-16(10-15)20(19)23(25)29/h5-7,15-16,19-20H,3-4,8-12H2,1-2H3,(H,24,26)/t15-,16+,19-,20+
SMILES: CN1C2CCC1[C@H]([C@@H](C2)C3=CC(=CC=C3)Cl)COC4=C(C(=CC=C4)F)Cl
InChI: InChI=1S/C21H22Cl2FNO/c1-25-15-8-9-19(25)17(12-26-20-7-3-6-18(24)21(20)23)16(11-15)13-4-2-5-14(22)10-13/h2-7,10,15-17,19H,8-9,11-12H2,1H3/t15?,16-,17-,19?/m0/s1
SMILES: CCC1=CC=CC=C1NC(=O)[C@H]2CC(=O)N(C2)[C@H]3CCC[C@@H]([C@@H]3C)C
InChI: InChI=1S/C21H30N2O2/c1-4-16-9-5-6-10-18(16)22-21(25)17-12-20(24)23(13-17)19-11-7-8-14(2)15(19)3/h5-6,9-10,14-15,17,19H,4,7-8,11-13H2,1-3H3,(H,22,25)/t14-,15-,17-,19-/m0/s1
SMILES: CC1=C(C=CC(=C1)OC)CCN2CC[C@@]34CCCC[C@H]3[C@@H]2CC5=C4C=C(C=C5)O
InChI: InChI=1S/C26H33NO2/c1-18-15-22(29-2)9-7-19(18)10-13-27-14-12-26-11-4-3-5-23(26)25(27)16-20-6-8-21(28)17-24(20)26/h6-9,15,17,23,25,28H,3-5,10-14,16H2,1-2H3/t23-,25-,26-/m0/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+]2CCC[C@H]3[C@@H]2CCCC3
InChI: InChI=1S/C21H30N2O4S/c1-4-27-21(26)18-13(2)19(14(3)24)28-20(18)22-17(25)12-23-11-7-9-15-8-5-6-10-16(15)23/h15-16H,4-12H2,1-3H3,(H,22,25)/p+1/t15-,16-/m0/s1
SMILES: CCCCOC(=O)C(C(=O)OCCCC)[C@]1(CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CC(=O)OC)C)OC=O)OC=O)C)C5=CC=C(C=C5)CO
InChI: InChI=1S/C44H64O11/c1-7-9-19-52-40(49)39(41(50)53-20-10-8-2)44(30-13-11-29(25-45)12-14-30)18-17-42(4)31(24-44)22-35(54-26-46)38-33-16-15-32(28(3)21-37(48)51-6)43(33,5)36(55-27-47)23-34(38)42/h11-14,26-28,31-36,38-39,45H,7-10,15-25H2,1-6H3/t28-,31-,32-,33+,34+,35-,36+,38+,42+,43-,44+/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)Br)O
InChI: InChI=1S/C39H30BrClN2O6/c1-49-32-18-21(10-17-31(32)44)34-27-15-16-28-33(37(47)42(35(28)45)25-13-11-23(40)12-14-25)29(27)20-30-36(46)43(26-9-5-8-24(41)19-26)38(48)39(30,34)22-6-3-2-4-7-22/h2-15,17-19,28-30,33-34,44H,16,20H2,1H3/t28-,29+,30-,33-,34-,39+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H](C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC
InChI: InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32?,33+,34+,35-,37-,43+,44-,45+/m0/s1
SMILES: CC1(CC(=O)[C@H]2[C@@H](NC3=CC=CC=C3NC2=C1)C4=CC=C(C=C4)C(C)(C)C)C
InChI: InChI=1S/C25H30N2O/c1-24(2,3)17-12-10-16(11-13-17)23-22-20(14-25(4,5)15-21(22)28)26-18-8-6-7-9-19(18)27-23/h6-14,22-23,26-27H,15H2,1-5H3/t22-,23-/m0/s1
SMILES: C1[C@@H]2N(C1=O)[C@H]([C@H](S2)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H16N2O5S/c22-15-10-16-20(15)17(18(27-16)13-4-2-1-3-5-13)19(23)26-11-12-6-8-14(9-7-12)21(24)25/h1-9,16-18H,10-11H2/t16-,17-,18-/m1/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C(=C=C)N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CC=C3)SS(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C29H26N2O7S2/c1-3-24(29(34)38-19-21-14-16-22(37-2)17-15-21)31-27(33)26(30-25(32)18-20-10-6-4-7-11-20)28(31)39-40(35,36)23-12-8-5-9-13-23/h4-17,26,28H,1,18-19H2,2H3,(H,30,32)/t26-,28-/m1/s1
SMILES: C[C@H]1CCC[C@H]2[C@@]1([C@H]3[C@](O3)([C@H](C2)O)C(=C)CO)C
InChI: InChI=1S/C15H24O3/c1-9-5-4-6-11-7-12(17)15(10(2)8-16)13(18-15)14(9,11)3/h9,11-13,16-17H,2,4-8H2,1,3H3/t9-,11+,12-,13-,14+,15+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)Cl)O)C(=O)N(C4=O)C6=CC=C(C=C6)N7CCOCC7)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C37H34ClN3O6/c1-37-29(34(44)41(36(37)46)23-5-3-2-4-6-23)20-27-25(32(37)28-19-21(38)7-14-30(28)42)12-13-26-31(27)35(45)40(33(26)43)24-10-8-22(9-11-24)39-15-17-47-18-16-39/h2-12,14,19,26-27,29,31-32,42H,13,15-18,20H2,1H3/t26-,27+,29-,31-,32+,37+/m0/s1
SMILES: CCO[C@H]1[C@]2([C@@H]3CC[C@@H](O3)[C@@H]([C@]2(CC14SCCS4)O)C)C
InChI: InChI=1S/C16H26O3S2/c1-4-18-13-14(3)12-6-5-11(19-12)10(2)15(14,17)9-16(13)20-7-8-21-16/h10-13,17H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,15-/m0/s1
SMILES: CC(C)NC(=O)OC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O)OC
InChI: InChI=1S/C25H27NO8/c1-12(2)26-25(28)34-23-19(29-3)7-14(8-20(23)30-4)21-16-9-18-17(32-11-33-18)6-13(16)5-15-10-31-24(27)22(15)21/h6-9,12,15,21-22H,5,10-11H2,1-4H3,(H,26,28)/t15-,21+,22-/m0/s1
SMILES: C[C@@H]1[C@@H](CC[C@]2(C1CC[C@]3([C@H]2[C@@H](CC\4[C@@]3(C[C@@H](/C4=C(/CCC(=C(C)C)C5=CC=CC=C5OC)\C(=O)OCOC(=O)C(C)(C)C)OC(=O)C)C)O)C)C)O
InChI: InChI=1S/C44H64O9/c1-25(2)28(29-14-12-13-15-35(29)50-11)16-17-30(39(48)51-24-52-40(49)41(5,6)7)37-32-22-34(47)38-42(8)20-19-33(46)26(3)31(42)18-21-43(38,9)44(32,10)23-36(37)53-27(4)45/h12-15,26,31-34,36,38,46-47H,16-24H2,1-11H3/b37-30-/t26-,31?,32?,33+,34+,36-,38-,42-,43-,44-/m0/s1
SMILES: CC(C)(C)OC(=O)CNC(=O)C12[C@@H]3[C@@H]4C[C@H]([C@@H]3C(O1)([C@H]5[C@@H]2[C@H]6C[C@@H]5C=C6)C(=O)OC)C=C4
InChI: InChI=1S/C25H31NO6/c1-23(2,3)31-16(27)11-26-21(28)24-17-12-5-7-14(9-12)19(17)25(32-24,22(29)30-4)20-15-8-6-13(10-15)18(20)24/h5-8,12-15,17-20H,9-11H2,1-4H3,(H,26,28)/t12-,13+,14+,15-,17+,18-,19-,20+,24?,25?
SMILES: CN1C2=C(C(=O)NC1=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C11H14N4O6/c1-14-9-5(8(19)13-11(14)20)12-3-15(9)10-7(18)6(17)4(2-16)21-10/h3-4,6-7,10,16-18H,2H2,1H3,(H,13,19,20)/t4-,6-,7-,10-/m1/s1
SMILES: CC1=CC=CC=C1[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)NC3=CC=C(C=C3)Br
InChI: InChI=1S/C19H18BrN3O2/c1-11-5-3-4-6-15(11)17-16(12(2)21-19(25)23-17)18(24)22-14-9-7-13(20)8-10-14/h3-10,16-17H,2H2,1H3,(H,22,24)(H2,21,23,25)/t16-,17+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H](C(O3)O)O)O
InChI: InChI=1S/C14H18O7/c1-18-8-4-2-7(3-5-8)14-19-6-9-12(21-14)10(15)11(16)13(17)20-9/h2-5,9-17H,6H2,1H3/t9-,10-,11-,12-,13?,14-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H]3C[C@@H]2[C@@H]4[C@H]3N=NN4CC5=CC=CC=C5
InChI: InChI=1S/C17H19N3/c1-2-5-11(6-3-1)10-20-17-15-9-14(16(17)18-19-20)12-7-4-8-13(12)15/h1-6,8,12-17H,7,9-10H2/t12-,13-,14+,15-,16-,17+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H18N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15,19-20H,(H,22,23)/t19-,20-/m1/s1
SMILES: C1[C@@H]([C@H]1C(=O)N/N=C\C2=CC3=CC=CC=C3N=C2Cl)C4=CC=CC=C4
InChI: InChI=1S/C20H16ClN3O/c21-19-15(10-14-8-4-5-9-18(14)23-19)12-22-24-20(25)17-11-16(17)13-6-2-1-3-7-13/h1-10,12,16-17H,11H2,(H,24,25)/b22-12-/t16-,17+/m1/s1
SMILES: CC(C)(C)OC(=O)[C@H]1C(=CS[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C=O
InChI: InChI=1S/C20H22N2O5S/c1-20(2,3)27-19(26)16-13(10-23)11-28-18-15(17(25)22(16)18)21-14(24)9-12-7-5-4-6-8-12/h4-8,10-11,15-16,18H,9H2,1-3H3,(H,21,24)/t15-,16-,18-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1[C@H](C(OC(=O)[C@@H]1C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\I)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC)C
InChI: InChI=1S/C37H73IO5Si3/c1-17-45(18-2,19-3)41-32(24-23-27(7)34(28(8)25-29(9)38)42-44(15,16)37(12,13)14)26-33-30(10)35(31(11)36(39)40-33)43-46(20-4,21-5)22-6/h23-25,27-28,30-35H,17-22,26H2,1-16H3/b24-23-,29-25-/t27-,28-,30-,31+,32+,33?,34-,35-/m0/s1
SMILES: CC(=C)[C@@H]1CC2=C(O1)C=CC3=C2O[C@H]4COC5=CC(=C(C=C5[C@H]4C3=O)OC)OC
InChI: InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@]1(C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5C4=O)C)O)OC(=O)C(C)(C)C
InChI: InChI=1S/C25H36O4/c1-22(2,3)21(27)29-14-6-10-24(5)18-8-9-23(4)19(16-12-17(16)20(23)26)15(18)7-11-25(24,28)13-14/h7,11,14-19,28H,6,8-10,12-13H2,1-5H3/t14-,15+,16+,17-,18-,19+,23-,24+,25-/m0/s1
SMILES: C1CC(=O)N[C@H]([C@@H]1[N+](=O)[O-])C2=CC=CC3=CC=CC=C32
InChI: InChI=1S/C15H14N2O3/c18-14-9-8-13(17(19)20)15(16-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,15H,8-9H2,(H,16,18)/t13-,15+/m1/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)C
InChI: InChI=1S/C24H40O16/c1-23(2)37-17-10(35-22-19(18(17)38-23)39-24(3,4)40-22)7-32-20-15(31)13(29)16(9(6-26)34-20)36-21-14(30)12(28)11(27)8(5-25)33-21/h8-22,25-31H,5-7H2,1-4H3/t8-,9-,10-,11+,12+,13-,14-,15-,16-,17+,18+,19-,20-,21+,22-/m1/s1
SMILES: CC1=C[C@H]([C@H]2CC(=C3C[C@H]4[C@@H]([C@H]3[C@]2(C1=O)C)CC(=O)O4)O[Si](C)(C)C(C)(C)C)OC(=O)C
InChI: InChI=1S/C25H36O6Si/c1-13-9-20(29-14(2)26)17-12-19(31-32(7,8)24(3,4)5)15-10-18-16(11-21(27)30-18)22(15)25(17,6)23(13)28/h9,16-18,20,22H,10-12H2,1-8H3/t16-,17+,18-,20+,22-,25-/m0/s1
SMILES: CN1C(=O)N([C@@]([C@@]1(C2=CC=CC=C2)O)(C3=CC=CC=C3)O)C
InChI: InChI=1S/C17H18N2O3/c1-18-15(20)19(2)17(22,14-11-7-4-8-12-14)16(18,21)13-9-5-3-6-10-13/h3-12,21-22H,1-2H3/t16-,17+
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN)CSC4=NN=NN4C
InChI: InChI=1S/C22H27N5O3S/c1-14-19(13-31-22-24-25-26-27(22)2)29-21(18-9-3-15(11-23)4-10-18)30-20(14)17-7-5-16(12-28)6-8-17/h3-10,14,19-21,28H,11-13,23H2,1-2H3/t14-,19+,20+,21?/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O
InChI: InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19+,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2C3=C(C=C(C=C3)OC)O)(C)C(=O)[O-]
InChI: InChI=1S/C19H24N2O6/c1-4-5-8-21-16(23)13-14(17(21)24)19(2,18(25)26)20-15(13)11-7-6-10(27-3)9-12(11)22/h6-7,9,13-15,20,22H,4-5,8H2,1-3H3,(H,25,26)/t13-,14+,15-,19-/m1/s1
SMILES: COC1=CC=CC2=C1OC(=C2)C(=O)N(CCC3=CC4=CC=CC=C4N3)[C@@H]5CC(=C[C@@H]([C@H]5O)OC6=CC=CC=C6I)C(=O)NCCO
InChI: InChI=1S/C35H34IN3O7/c1-44-29-12-6-8-22-19-31(46-33(22)29)35(43)39(15-13-24-17-21-7-2-4-10-26(21)38-24)27-18-23(34(42)37-14-16-40)20-30(32(27)41)45-28-11-5-3-9-25(28)36/h2-12,17,19-20,27,30,32,38,40-41H,13-16,18H2,1H3,(H,37,42)/t27-,30+,32+/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)OCC=C)C
InChI: InChI=1S/C18H28O5/c1-5-10-19-15-12(3)14-7-6-11(2)13-8-9-17(4)21-16(20-15)18(13,14)23-22-17/h5,11-16H,1,6-10H2,2-4H3/t11-,12-,13+,14+,15?,16-,17+,18-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCCC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C19H19F3N2O3/c20-19(21,22)12-5-3-6-13(11-12)23-16(25)9-4-10-24-17(26)14-7-1-2-8-15(14)18(24)27/h1-3,5-6,11,14-15H,4,7-10H2,(H,23,25)/t14-,15+
SMILES: C1[C@]23C=C[C@H](O2)[C@@H]([C@@H]3C(=O)N1C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)[O-]
InChI: InChI=1S/C21H17NO5/c23-19-18-17(20(24)25)16-10-11-21(18,27-16)12-22(19)13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-11,16-18H,12H2,(H,24,25)/p-1/t16-,17-,18+,21-/m0/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3C([C@@H]([C@H](O3)COP(=O)(O)O)O)Cl)F)N
InChI: InChI=1S/C10H12ClFN5O6P/c11-4-6(18)3(1-22-24(19,20)21)23-9(4)17-2-14-5-7(13)15-10(12)16-8(5)17/h2-4,6,9,18H,1H2,(H2,13,15,16)(H2,19,20,21)/t3-,4?,6-,9-/m1/s1
SMILES: C=C1[C@@H]([C@H](N2C(=NC(=N2)SCC3=CC=CC=C3Cl)N1)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N
InChI: InChI=1S/C20H17ClN6O3S/c1-11-16(18(22)28)17(12-6-8-14(9-7-12)27(29)30)26-19(23-11)24-20(25-26)31-10-13-4-2-3-5-15(13)21/h2-9,16-17H,1,10H2,(H2,22,28)(H,23,24,25)/t16-,17+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H]4[C@]([C@]3(CO4)CC(=O)O)(CC(=O)O)Cl
InChI: InChI=1S/C19H25ClO6/c1-17-5-4-12-10(11(17)2-3-13(17)21)6-14-19(20,8-16(24)25)18(12,9-26-14)7-15(22)23/h10-12,14H,2-9H2,1H3,(H,22,23)(H,24,25)/t10-,11-,12-,14+,17-,18-,19-/m0/s1
SMILES: CC(C)/C=C/C=C\1/COC(=O)[C@H]2[C@@H]1CC[C@]3(C[C@@]2(CC[C@@H]3O)OC)C
InChI: InChI=1S/C21H32O4/c1-14(2)6-5-7-15-12-25-19(23)18-16(15)8-10-20(3)13-21(18,24-4)11-9-17(20)22/h5-7,14,16-18,22H,8-13H2,1-4H3/b6-5+,15-7-/t16-,17+,18-,20+,21-/m1/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC(=O)[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O
InChI: InChI=1S/C30H40O10/c1-16-11-22(32)25(35)26(39-16)40-18-5-8-28(15-31)21-12-23(33)27(2)19(17-3-4-24(34)38-14-17)7-10-30(27,37)20(21)6-9-29(28,36)13-18/h3-4,14-16,18-22,25-26,32,35-37H,5-13H2,1-2H3/t16-,18-,19+,20+,21-,22-,25-,26-,27-,28-,29-,30-/m0/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC(=C(C(=C6)[N+](=O)[O-])N(C)C)[N+](=O)[O-])O
InChI: InChI=1S/C31H25BrN4O9/c1-13-8-14(4-7-23(13)37)25-16-5-6-17-26(18(16)11-19-27(25)24(38)12-20(32)29(19)39)31(41)34(30(17)40)15-9-21(35(42)43)28(33(2)3)22(10-15)36(44)45/h4-5,7-10,12,17-18,25-26,37H,6,11H2,1-3H3/t17-,18+,25-,26-/m0/s1
SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.C[C@]12[C@@H]3[C@@H]4C[C@H]([C@@H]3[C@]1([C@H]5[C@@H]2[C@H]6C[C@@H]5C7=C(C=CC(=C67)OC)OC)C)[C@@H]8[C@H]4C9=C(C=C[N+](=C9)C)C1=C8C=[N+](C=C1)C
InChI: InChI=1S/C36H40N2O2.2BF4/c1-35-31-19-13-20(28-24-16-38(4)12-10-18(24)17-9-11-37(3)15-23(17)27(19)28)32(31)36(35,2)34-22-14-21(33(34)35)29-25(39-5)7-8-26(40-6)30(22)29;2*2-1(3,4)5/h7-12,15-16,19-22,27-28,31-34H,13-14H2,1-6H3;;/q+2;2*-1/t19-,20+,21+,22-,27-,28+,31-,32+,33+,34-,35-,36+;;
SMILES: B1(O[C@@H]2[C@H]3C[C@H](C3(C)C)C[C@@]2(O1)C)[C@H](CCCN=C(N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](C[Si](C)(C)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C31H57BN6O6Si/c1-29(2,3)42-28(41)36-21(18-45(7,8)9)26(40)38-15-11-12-22(38)25(39)37-23(13-10-14-35-27(33)34)32-43-24-20-16-19(30(20,4)5)17-31(24,6)44-32/h19-24H,10-18H2,1-9H3,(H,36,41)(H,37,39)(H4,33,34,35)/t19-,20+,21+,22-,23-,24+,31-/m0/s1
SMILES: C1C=C(C[C@@H]([C@H]1C(=O)[O-])C(=O)NC2=C(C=CC(=C2)Cl)Cl)Cl
InChI: InChI=1S/C14H12Cl3NO3/c15-7-1-3-9(14(20)21)10(5-7)13(19)18-12-6-8(16)2-4-11(12)17/h1-2,4,6,9-10H,3,5H2,(H,18,19)(H,20,21)/p-1/t9-,10-/m0/s1
SMILES: C[C@H]1[C@H](OC(=O)[C@H](N1C)/C=C/C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H21NO2/c1-15-19(17-11-7-4-8-12-17)23-20(22)18(21(15)2)14-13-16-9-5-3-6-10-16/h3-15,18-19H,1-2H3/b14-13+/t15-,18+,19-/m0/s1
SMILES: CC[C@]12CCC3C(C1CCC[C@@H]2F)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N
InChI: InChI=1S/C21H30FNO4S/c1-3-21-10-9-14-15(17(21)5-4-6-20(21)22)8-7-13-11-19(27-28(23,24)25)18(26-2)12-16(13)14/h11-12,14-15,17,20H,3-10H2,1-2H3,(H2,23,24,25)/t14?,15?,17?,20-,21-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)COC2=CC=CC3=C2OC(C3)(C)C
InChI: InChI=1S/C21H29NO5/c1-14-7-4-5-9-16(14)22-18(23)12-26-19(24)13-25-17-10-6-8-15-11-21(2,3)27-20(15)17/h6,8,10,14,16H,4-5,7,9,11-13H2,1-3H3,(H,22,23)/t14-,16-/m1/s1
SMILES: C[C@@H]1C=CC[C@H]2[C@H]1C(=O)N(C2=O)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C16H14Cl2N2O3/c1-8-3-2-4-10-13(8)16(23)20(15(10)22)19-14(21)9-5-6-11(17)12(18)7-9/h2-3,5-8,10,13H,4H2,1H3,(H,19,21)/t8-,10+,13+/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@H](N4CCCN4[C@@H]3C2=O)C5=CC=CC=C5)C
InChI: InChI=1S/C22H23N3O2/c1-14-9-10-17(13-15(14)2)25-21(26)18-19(16-7-4-3-5-8-16)23-11-6-12-24(23)20(18)22(25)27/h3-5,7-10,13,18-20H,6,11-12H2,1-2H3/t18-,19-,20+/m1/s1
SMILES: CC[C@@H]1[C@@]([C@H]2[C@H](N(C[C@@H](C[C@]([C@@H]([C@H](C(C(C(=O)O1)C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C=C/O2)C)C)C/C=C/C4=CC5=CC=CC=C5N=C4)C)(C)O
InChI: InChI=1S/C44H67N3O9/c1-11-36-44(8,51)40-31(6)47(19-14-16-32-23-33-17-12-13-18-34(33)45-25-32)26-27(2)24-43(7,53-21-15-20-52-40)39(29(4)37(48)30(5)41(50)55-36)56-42-38(49)35(46(9)10)22-28(3)54-42/h12-18,20,23,25,27-31,35-40,42,48-49,51H,11,19,21-22,24,26H2,1-10H3/b16-14+,20-15+/t27-,28-,29+,30?,31-,35+,36-,37?,38-,39-,40-,42+,43-,44-/m1/s1
SMILES: CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C2=CC=C(C=C2)OCCC3=CC=NC=C3
InChI: InChI=1S/C27H34N4O3/c1-19(2)17-22(18-28)30-27(33)24-5-3-4-6-25(24)31-26(32)21-7-9-23(10-8-21)34-16-13-20-11-14-29-15-12-20/h7-12,14-15,19,22,24-25H,3-6,13,16-17H2,1-2H3,(H,30,33)(H,31,32)/t22-,24+,25-/m0/s1