EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H24N2O7/c1-12(23-18(25)15-5-3-4-6-16(15)19(23)26)20(27)30-11-17(24)22-14-9-7-13(8-10-14)21(28)29-2/h7-10,12,15-16H,3-6,11H2,1-2H3,(H,22,24)/t12-,15-,16+/m0/s1
SMILES: CN1C(=NN=N1)SC[C@]2(CO[C@@H]3[C@@](C(=O)N3[C@H]2C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)(NC(=O)CC6=CC=CS6)OC)SC
InChI: InChI=1S/C31H32N6O6S3/c1-36-29(33-34-35-36)46-19-30(44-3)18-42-28-31(41-2,32-23(38)17-22-15-10-16-45-22)27(40)37(28)25(30)26(39)43-24(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-16,24-25,28H,17-19H2,1-3H3,(H,32,38)/t25-,28+,30-,31-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NCC(=O)NC(C)C
InChI: InChI=1S/C20H33N3O5/c1-12(2)22-17(24)9-21-18(25)11-28-20(27)15-8-19(26)23(10-15)16-7-5-6-13(3)14(16)4/h12-16H,5-11H2,1-4H3,(H,21,25)(H,22,24)/t13-,14-,15-,16+/m1/s1
SMILES: CC1=C2CCC3=C2C(=CC4=C3C=CC5=C4[C@H]6[C@H](O6)[C@@H]([C@H]5O)O)C=C1
InChI: InChI=1S/C21H18O3/c1-9-2-3-10-8-15-12(13-6-4-11(9)16(10)13)5-7-14-17(15)20-21(24-20)19(23)18(14)22/h2-3,5,7-8,18-23H,4,6H2,1H3/t18-,19+,20-,21+/m0/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)OC3=NN(C(=O)[C@H]4[C@@H]3C4)CCOC)O)C
InChI: InChI=1S/C20H23N3O5/c1-20(2)17(24)16(14-8-11(10-21)4-5-15(14)28-20)27-18-12-9-13(12)19(25)23(22-18)6-7-26-3/h4-5,8,12-13,16-17,24H,6-7,9H2,1-3H3/t12-,13+,16+,17-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CC=CC=C2[S@](=O)C
InChI: InChI=1S/C18H24N2O5S/c1-12-7-3-5-9-14(12)19-18(23)20-16(21)11-25-17(22)13-8-4-6-10-15(13)26(2)24/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3,(H2,19,20,21,23)/t12-,14+,26+/m0/s1
SMILES: C1CC(C1)[C@@H](C(=O)N2[C@@H](C[C@H]3[C@@H]2C3)C#N)N
InChI: InChI=1S/C12H17N3O/c13-6-9-4-8-5-10(8)15(9)12(16)11(14)7-2-1-3-7/h7-11H,1-5,14H2/t8-,9+,10+,11+/m1/s1
SMILES: C1COC2=C(O1)C=CC(=C2)C[C@@H]3[C@@H]([C@H]([C@H](N(C(=O)N3CC4=CC5=CC=CC=C5C=C4)CC6=CC7=CC=CC=C7C=C6)CC8=CC9=C(C=C8)OCCO9)O)O
InChI: InChI=1S/C45H42N2O7/c48-43-37(23-29-11-15-39-41(25-29)53-19-17-51-39)46(27-31-9-13-33-5-1-3-7-35(33)21-31)45(50)47(28-32-10-14-34-6-2-4-8-36(34)22-32)38(44(43)49)24-30-12-16-40-42(26-30)54-20-18-52-40/h1-16,21-22,25-26,37-38,43-44,48-49H,17-20,23-24,27-28H2/t37-,38-,43+,44+/m1/s1
SMILES: CCCC[C@@]1(CS(=O)(=O)C2=C(C=C(C=C2)[N+](C)(C)C)[C@H]([C@H]1O)C3=CC=CC=C3)CC.[I-]
InChI: InChI=1S/C25H36NO3S.HI/c1-6-8-16-25(7-2)18-30(28,29)22-15-14-20(26(3,4)5)17-21(22)23(24(25)27)19-12-10-9-11-13-19;/h9-15,17,23-24,27H,6-8,16,18H2,1-5H3;1H/q+1;/p-1/t23-,24-,25-;/m1./s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2=C3C=C[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O
InChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-21,23,25,28H,6-8,11-17H2,1-5H3/t19-,20+,21+,23-,25+,26+,27-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2CCO[C@@H](C2)C(C)C
InChI: InChI=1S/C17H33NO2/c1-12(2)16-11-18(8-9-20-16)17(4,5)14-7-6-13(3)10-15(14)19/h12-16,19H,6-11H2,1-5H3/t13-,14-,15-,16+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[C@@H](CCO)CC(=O)NCCC2=CNC3=CC=CC=C32)C(C)(C)C4=CC=CC=C4
InChI: InChI=1S/C33H44N2O4/c1-23-13-14-28(33(2,3)26-9-5-4-6-10-26)30(19-23)39-32(38)21-24(16-18-36)20-31(37)34-17-15-25-22-35-29-12-8-7-11-27(25)29/h4-12,22-24,28,30,35-36H,13-21H2,1-3H3,(H,34,37)/t23-,24+,28-,30-/m1/s1
SMILES: CC1=C(C(=CC(=C1C)Br)C(=O)N[C@H]2C[C@H]3CC[C@@]2(C3(C)C)C)C
InChI: InChI=1S/C20H28BrNO/c1-11-12(2)15(10-16(21)13(11)3)18(23)22-17-9-14-7-8-20(17,6)19(14,4)5/h10,14,17H,7-9H2,1-6H3,(H,22,23)/t14-,17+,20+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4CC#N)O)C)C
InChI: InChI=1S/C23H35NO3/c1-15(25)27-18-7-10-21(2)17(14-18)4-5-20-19(21)8-11-22(3)16(9-13-24)6-12-23(20,22)26/h16-20,26H,4-12,14H2,1-3H3/t16-,17-,18+,19+,20-,21+,22-,23+/m1/s1
SMILES: CC1=CN=C(S1)NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C15H17N3O3S/c1-8-7-16-15(22-8)17-12(19)9(2)18-13(20)10-5-3-4-6-11(10)14(18)21/h3-4,7,9-11H,5-6H2,1-2H3,(H,16,17,19)/t9-,10-,11+/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O
InChI: InChI=1S/C21H31N3O2/c25-20-7-5-19(6-8-20)23-13-11-22(12-14-23)16-21(26)24-10-9-17-3-1-2-4-18(17)15-24/h5-8,17-18,25H,1-4,9-16H2/p+1/t17-,18-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@]4(CCC5=CC=CC=C5)O)C)C
InChI: InChI=1S/C29H42O3/c1-20(30)32-23-12-15-27(2)22(19-23)9-10-24-25(27)13-16-28(3)26(24)14-18-29(28,31)17-11-21-7-5-4-6-8-21/h4-8,22-26,31H,9-19H2,1-3H3/t22-,23+,24-,25+,26-,27-,28-,29-/m1/s1
SMILES: CC1=C([C@H](C2=C(N1)C[C@H]([C@H](C2=O)C(=O)OC)C3=CC=CS3)C4=CC=CC=N4)C(=O)OC
InChI: InChI=1S/C23H22N2O5S/c1-12-17(22(27)29-2)19(14-7-4-5-9-24-14)20-15(25-12)11-13(16-8-6-10-31-16)18(21(20)26)23(28)30-3/h4-10,13,18-19,25H,11H2,1-3H3/t13-,18+,19+/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)CNC(=O)CCCC(=O)O)CN4CCOCC4
InChI: InChI=1S/C29H38N2O7/c1-20-25(18-31-13-15-36-16-14-31)37-29(38-28(20)23-9-7-22(19-32)8-10-23)24-11-5-21(6-12-24)17-30-26(33)3-2-4-27(34)35/h5-12,20,25,28-29,32H,2-4,13-19H2,1H3,(H,30,33)(H,34,35)/t20-,25+,28+,29+/m1/s1
SMILES: CC(=O)[C@H]1C2=C3C4=C(C[C@@]1(C)O)C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC
InChI: InChI=1S/C30H26O10/c1-10(31)25-24-22-16-11(9-30(25,2)36)28(39-5)26(34)17-12(32)7-14(37-3)19(21(16)17)20-15(38-4)8-13(33)18(23(20)22)27(35)29(24)40-6/h7-8,25,34-36H,9H2,1-6H3/t25-,30+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H24ClN3OS/c1-12-5-4-6-18(13(12)2)23-20(26)19-11-17-14(3)24-25(21(17)27-19)16-9-7-15(22)8-10-16/h7-13,18H,4-6H2,1-3H3,(H,23,26)/t12-,13-,18+/m1/s1
SMILES: C[C@@]1(CC[C@]2([C@@]13CC(=O)[C@]([C@]2(COC(=O)C3)C)(C)O)O)O
InChI: InChI=1S/C15H22O6/c1-11-8-21-10(17)7-14(6-9(16)13(11,3)19)12(2,18)4-5-15(11,14)20/h18-20H,4-8H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1
SMILES: CC(=O)[C@]1(CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CCC4=C[C@H](CC[C@]34C)O)C)OC(=O)C
InChI: InChI=1S/C23H34O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,17-20,26H,5-12H2,1-4H3/t17-,18+,19+,20+,21-,22-,23-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@@]23CN(C(=O)O3)CC4=CC=CC=C4)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(C=C6)C7=CC=CC=C7)C
InChI: InChI=1S/C43H45NO4/c1-30-10-9-24-42(2)39(23-25-43(42)29-44(41(47)48-43)28-31-11-5-3-6-12-31)37-22-16-32(26-36(45)21-15-30)27-38(37)40(46)35-19-17-34(18-20-35)33-13-7-4-8-14-33/h3-8,10-14,16-20,22,27,36,39,45H,9,15,21,23-26,28-29H2,1-2H3/t36-,39-,42-,43+/m0/s1
SMILES: C1C[C@@H]2[C@@H](C[C@@H]1C3=CC=CC=C3)C(=O)N(C2=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C20H18BrNO2/c21-15-7-9-16(10-8-15)22-19(23)17-11-6-14(12-18(17)20(22)24)13-4-2-1-3-5-13/h1-5,7-10,14,17-18H,6,11-12H2/t14-,17-,18-/m1/s1
SMILES: CC[C@@H]1[C@H](N2[C@H]3CC1C4C2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4OC(=O)CCl)OC(=O)CCl
InChI: InChI=1S/C24H28Cl2N2O4/c1-3-12-13-8-16-21-24(14-6-4-5-7-15(14)27(21)2)9-17(20(13)22(24)31-18(29)10-25)28(16)23(12)32-19(30)11-26/h4-7,12-13,16-17,20-23H,3,8-11H2,1-2H3/t12-,13?,16-,17?,20?,21-,22+,23+,24?/m0/s1
SMILES: CCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C)C
InChI: InChI=1S/C43H62O3Si/c1-7-8-9-10-17-22-40(44)45-39-26-25-37-36-24-23-32-31-33(27-29-42(32,5)38(36)28-30-43(37,39)6)46-47(41(2,3)4,34-18-13-11-14-19-34)35-20-15-12-16-21-35/h11-16,18-21,23,33,36-39H,7-10,17,22,24-31H2,1-6H3/t33-,36-,37-,38-,39-,42-,43-/m0/s1
SMILES: C[C@@H]1CC2C3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)O
InChI: InChI=1S/C22H34O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h5,13,16-19,24-25H,6-12H2,1-4H3/t13-,16+,17?,18+,19?,20+,21+,22+/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI: InChI=1S/C13H13ClN2O5/c1-7-4-9(7)13(18)21-6-12(17)15-11-3-2-8(16(19)20)5-10(11)14/h2-3,5,7,9H,4,6H2,1H3,(H,15,17)/t7-,9+/m1/s1
SMILES: C[C@H]1[C@H]2C[C@@H]([C@@H]1CO[Si](C)(C)C(C)(C)C)C(=O)[C@]2(C)C(=O)OCC=C
InChI: InChI=1S/C20H34O4Si/c1-9-10-23-18(22)20(6)16-11-14(17(20)21)15(13(16)2)12-24-25(7,8)19(3,4)5/h9,13-16H,1,10-12H2,2-8H3/t13-,14+,15-,16-,20-/m1/s1
SMILES: C1CN(CC[NH+]1C[C@H]2C[C@@H]3C[C@@H]2C=C3)C4=CC=CC=C4F
InChI: InChI=1S/C18H23FN2/c19-17-3-1-2-4-18(17)21-9-7-20(8-10-21)13-16-12-14-5-6-15(16)11-14/h1-6,14-16H,7-13H2/p+1/t14-,15-,16+/m0/s1
SMILES: CCC1=CC=C(O1)[C@H]2[C@@H]([C@@H]3CC[C@H]([C@H]4[C@]35[C@H](O2)O[C@](CCC4)(OO5)C)C)C
InChI: InChI=1S/C22H32O5/c1-5-15-9-11-18(23-15)19-14(3)17-10-8-13(2)16-7-6-12-21(4)25-20(24-19)22(16,17)27-26-21/h9,11,13-14,16-17,19-20H,5-8,10,12H2,1-4H3/t13-,14-,16+,17+,19-,20-,21+,22-/m1/s1
SMILES: CC12[C@@H]3[C@H](C(C4=CC=CC=C41)(C5=CC=CC=C25)C)OC(=O)N3
InChI: InChI=1S/C19H17NO2/c1-18-11-7-3-5-9-13(11)19(2,14-10-6-4-8-12(14)18)16-15(18)20-17(21)22-16/h3-10,15-16H,1-2H3,(H,20,21)/t15-,16+,18?,19?/m0/s1
SMILES: COC1=CC=C(C=C1)COCCC(C#CC[C@@H]2[C@H](C=C[C@H](O2)CC=C)O)O
InChI: InChI=1S/C22H28O5/c1-3-5-20-12-13-21(24)22(27-20)7-4-6-18(23)14-15-26-16-17-8-10-19(25-2)11-9-17/h3,8-13,18,20-24H,1,5,7,14-16H2,2H3/t18?,20-,21+,22-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)CCC(=O)O)CN4CCC[C@H]4CO
InChI: InChI=1S/C29H38N2O7/c1-19-25(16-31-14-2-3-24(31)18-33)37-29(38-28(19)22-8-6-21(17-32)7-9-22)23-10-4-20(5-11-23)15-30-26(34)12-13-27(35)36/h4-11,19,24-25,28-29,32-33H,2-3,12-18H2,1H3,(H,30,34)(H,35,36)/t19-,24-,25+,28+,29+/m0/s1
SMILES: CC1=C(C(=O)[C@@]2([C@H](C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=C(C6=CC=CC=C56)O)C(=O)NC4=O)C)C
InChI: InChI=1S/C29H27NO5/c1-13-14(2)26(33)29(3)21(25(13)32)12-20-18(8-9-19-23(20)28(35)30-27(19)34)24(29)17-10-11-22(31)16-7-5-4-6-15(16)17/h4-8,10-11,19-21,23-24,31H,9,12H2,1-3H3,(H,30,34,35)/t19-,20+,21-,23-,24-,29+/m0/s1
SMILES: C[C@H](C1=CC=C(C=C1)Br)N2C[C@@]34C=C[C@@H](O3)[C@H]([C@H]4C2=O)C(=O)OC
InChI: InChI=1S/C18H18BrNO4/c1-10(11-3-5-12(19)6-4-11)20-9-18-8-7-13(24-18)14(17(22)23-2)15(18)16(20)21/h3-8,10,13-15H,9H2,1-2H3/t10-,13-,14-,15+,18-/m1/s1
SMILES: C1CC[C@@]23CCN([C@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCCC5=CC=CC=C5
InChI: InChI=1S/C25H31NO/c27-21-12-11-20-17-24-22-10-4-5-13-25(22,23(20)18-21)14-16-26(24)15-6-9-19-7-2-1-3-8-19/h1-3,7-8,11-12,18,22,24,27H,4-6,9-10,13-17H2/t22-,24-,25+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=O)C(=C4)N
InChI: InChI=1S/C19H25NO2/c1-19-9-8-13-12-4-6-17(21)16(20)10-11(12)2-3-14(13)15(19)5-7-18(19)22/h4,6,10,13-15,18,22H,2-3,5,7-9H2,1H3,(H2,20,21)/t13-,14-,15+,18+,19+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C[NH+]2CC3=CC=CC=C3C[C@@H]2C(=O)OC
InChI: InChI=1S/C20H28N2O3/c1-14-7-3-6-10-17(14)21-19(23)13-22-12-16-9-5-4-8-15(16)11-18(22)20(24)25-2/h4-5,8-9,14,17-18H,3,6-7,10-13H2,1-2H3,(H,21,23)/p+1/t14-,17+,18+/m0/s1
SMILES: C1CC[C@]2(CCN(C[C@@H]2C1)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)O
InChI: InChI=1S/C25H25ClN2O2/c26-19-10-8-17(9-11-19)23-15-21(20-6-1-2-7-22(20)27-23)24(29)28-14-13-25(30)12-4-3-5-18(25)16-28/h1-2,6-11,15,18,30H,3-5,12-14,16H2/t18-,25+/m0/s1
SMILES: C[C@H]1CC[C@H](C[C@@H]1C)OC(=O)CCC(=O)NC2=CC=C(C=C2)F
InChI: InChI=1S/C18H24FNO3/c1-12-3-8-16(11-13(12)2)23-18(22)10-9-17(21)20-15-6-4-14(19)5-7-15/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,20,21)/t12-,13-,16+/m0/s1
SMILES: CCOC(=O)C1=C(NC2=C([C@H]1C3=CC=CC=C3C(F)(F)F)C(=O)[C@H]([C@H](C2)C)C(=O)OC)C
InChI: InChI=1S/C23H24F3NO5/c1-5-32-22(30)17-12(3)27-15-10-11(2)16(21(29)31-4)20(28)19(15)18(17)13-8-6-7-9-14(13)23(24,25)26/h6-9,11,16,18,27H,5,10H2,1-4H3/t11-,16-,18-/m0/s1
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC5=C(C=C24)[C@H]([C@@H]([C@H]6[C@@H]5O6)O)O
InChI: InChI=1S/C22H16O3/c23-19-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18(17)21-22(25-21)20(19)24/h1-10,19-24H/t19-,20+,21-,22+/m1/s1
SMILES: CC1=CC(=CC(=C1O)C/C=C(\C)/CC2=C(C(=O)[C@@]3(CCC[C@@]3(C2)C)C)CC(C)(C)O)OC
InChI: InChI=1S/C28H40O4/c1-18(9-10-20-15-22(32-7)14-19(2)24(20)29)13-21-16-27(5)11-8-12-28(27,6)25(30)23(21)17-26(3,4)31/h9,14-15,29,31H,8,10-13,16-17H2,1-7H3/b18-9+/t27-,28+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3N=C(N=C4Cl)N)OC(=S)O2
InChI: InChI=1S/C17H24ClN5O4SSi/c1-17(2,3)29(4,5)24-6-8-10-11(27-16(28)26-10)14(25-8)23-7-20-9-12(18)21-15(19)22-13(9)23/h7-8,10-11,14H,6H2,1-5H3,(H2,19,21,22)/t8-,10-,11-,14-/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@H](O5)CO)O)O)O)OC)O[C@H]6[C@@H]([C@@H]([C@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C32H42O16/c1-41-19-7-13(3-5-17(19)45-31-27(39)25(37)23(35)21(9-33)47-31)29-15-11-44-30(16(15)12-43-29)14-4-6-18(20(8-14)42-2)46-32-28(40)26(38)24(36)22(10-34)48-32/h3-8,15-16,21-40H,9-12H2,1-2H3/t15-,16-,21+,22+,23-,24-,25+,26+,27+,28+,29+,30+,31+,32+/m0/s1
SMILES: C1[C@@H]2C[C@H]([C@H]1C=C2)CNC(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H23N/c1-3-7-17(8-4-1)21(18-9-5-2-6-10-18)22-15-20-14-16-11-12-19(20)13-16/h1-12,16,19-22H,13-15H2/t16-,19+,20+/m1/s1
SMILES: C[C@@H]1[C@@H](NC1=O)O[C@H](COS(=O)(=O)C(C)C)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC
InChI: InChI=1S/C17H29NO9S/c1-8(2)28(20,21)23-7-10(24-15-9(3)14(19)18-15)11-12(22-6)13-16(25-11)27-17(4,5)26-13/h8-13,15-16H,7H2,1-6H3,(H,18,19)/t9-,10+,11+,12-,13+,15-,16+/m0/s1
SMILES: CC1=NC=CC(=C1Br)NC(=O)C[C@H]2CC[C@@H]3[C@@]2(CCC4C3CC(=C5[C@@]4(CCC(=O)N5C)C)Cl)C
InChI: InChI=1S/C27H35BrClN3O2/c1-15-24(28)21(9-12-30-15)31-22(33)13-16-5-6-18-17-14-20(29)25-27(3,11-8-23(34)32(25)4)19(17)7-10-26(16,18)2/h9,12,16-19H,5-8,10-11,13-14H2,1-4H3,(H,30,31,33)/t16-,17?,18+,19?,26-,27-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@]23[C@@H](CC(=O)[C@]2(C4=C(O3)C=C(C=C4OC)OC)O)C5=CC=CC=C5
InChI: InChI=1S/C26H24O6/c1-29-18-11-9-17(10-12-18)26-20(16-7-5-4-6-8-16)15-23(27)25(26,28)24-21(31-3)13-19(30-2)14-22(24)32-26/h4-14,20,28H,15H2,1-3H3/t20-,25+,26-/m0/s1
SMILES: C[C@@]12C[C@H]3[C@@H](C[C@@]1(O2)C)C(=O)N(C3=O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C17H19NO4/c1-16-8-12-13(9-17(16,2)22-16)15(20)18(14(12)19)10-4-6-11(21-3)7-5-10/h4-7,12-13H,8-9H2,1-3H3/t12-,13+,16+,17-
SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@H](N(C1=O)C(=O)OCC2=CC=CC=C2)C3=CC=CO3
InChI: InChI=1S/C21H27NO5Si/c1-4-28(5-2,6-3)27-19-18(17-13-10-14-25-17)22(20(19)23)21(24)26-15-16-11-8-7-9-12-16/h7-14,18-19H,4-6,15H2,1-3H3/t18-,19+/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)SP2(=S)OCC(CO2)(C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H25O7PS2/c1-9-14(22-11(3)17)12(21-10(2)16)6-13(20-9)25-23(24)18-7-15(4,5)8-19-23/h9,12-14H,6-8H2,1-5H3/t9-,12-,13-,14+/m0/s1
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC[C@H]3[C@@H]2CCCC3
InChI: InChI=1S/C19H28ClN3O3S/c1-22(2)27(25,26)15-9-10-16(20)17(12-15)21-19(24)13-23-11-5-7-14-6-3-4-8-18(14)23/h9-10,12,14,18H,3-8,11,13H2,1-2H3,(H,21,24)/t14-,18-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)N=[N+]=[N-])(C(=O)O)O)O
InChI: InChI=1S/C11H18N4O8/c1-4(17)13-7-5(18)2-11(22,10(20)21)23-9(7)8(14-15-12)6(19)3-16/h5-9,16,18-19,22H,2-3H2,1H3,(H,13,17)(H,20,21)/t5-,6+,7+,8+,9+,11-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@](O2)(CO)C(F)(F)F)O
InChI: InChI=1S/C11H13F3N2O5/c1-5-3-16(9(20)15-8(5)19)7-2-6(18)10(4-17,21-7)11(12,13)14/h3,6-7,17-18H,2,4H2,1H3,(H,15,19,20)/t6-,7+,10+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)C2C[C@@H]([C@H](N2C(=O)C)COCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C26H27N3O6/c1-17-14-28(26(33)27-24(17)31)23-13-22(35-25(32)20-11-7-4-8-12-20)21(29(23)18(2)30)16-34-15-19-9-5-3-6-10-19/h3-12,14,21-23H,13,15-16H2,1-2H3,(H,27,31,33)/t21-,22+,23?/m1/s1
SMILES: C[N+](C)(C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC4=CC=CC=C4C=C3)SC1)C(=O)O)C(CO)CO
InChI: InChI=1S/C27H31N3O6S2/c1-30(2,20(13-31)14-32)11-5-8-19-15-38-26-23(25(34)29(26)24(19)27(35)36)28-22(33)16-37-21-10-9-17-6-3-4-7-18(17)12-21/h3-10,12,20,23,26,31-32H,11,13-16H2,1-2H3,(H-,28,33,35,36)/p+1/b8-5+/t23-,26-/m1/s1
SMILES: CCCCCCCCCCCCCCC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CO[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/C45H72O20/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-35(23-56-44-42(62-33(8)52)40(60-31(6)50)38(58-29(4)48)36(64-44)25-54-27(2)46)24-57-45-43(63-34(9)53)41(61-32(7)51)39(59-30(5)49)37(65-45)26-55-28(3)47/h35-45H,10-26H2,1-9H3/t36-,37-,38+,39+,40+,41+,42-,43-,44-,45-/m1/s1
SMILES: C[C@H](CC1=CC=CC=C1)[C@@H](CCC[C@@]23[C@@H]([C@H]([C@@](O2)(C(=O)[C@H](O3)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C48H82O11Si2/c1-32(29-33-25-22-21-23-26-33)34(55-39(50)42(2,3)4)27-24-28-48-38(57-41(52)44(8,9)10)37(56-40(51)43(5,6)7)47(59-48,31-54-61(19,20)46(14,15)16)36(49)35(58-48)30-53-60(17,18)45(11,12)13/h21-23,25-26,32,34-35,37-38H,24,27-31H2,1-20H3/t32-,34-,35-,37-,38-,47+,48+/m1/s1
SMILES: COC1=C2CN3CC[C@@]4([C@H]3CC[C@@H]([C@@H]4O)O)C2=CC5=C1OCO5
InChI: InChI=1S/C17H21NO5/c1-21-14-9-7-18-5-4-17(13(18)3-2-11(19)16(17)20)10(9)6-12-15(14)23-8-22-12/h6,11,13,16,19-20H,2-5,7-8H2,1H3/t11-,13+,16-,17-/m0/s1
SMILES: C1CC1[NH+](CC2=NN=C(O2)C3=CC=C(C=C3)Cl)CN4C(=O)[C@@H]5CC=CC[C@@H]5C4=O
InChI: InChI=1S/C21H21ClN4O3/c22-14-7-5-13(6-8-14)19-24-23-18(29-19)11-25(15-9-10-15)12-26-20(27)16-3-1-2-4-17(16)21(26)28/h1-2,5-8,15-17H,3-4,9-12H2/p+1/t16-,17+
SMILES: CN1[C@H]([C@H]2[C@@H](O1)C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C18H16N2O3/c1-19-15(12-8-4-2-5-9-12)14-16(23-19)18(22)20(17(14)21)13-10-6-3-7-11-13/h2-11,14-16H,1H3/t14-,15-,16+/m0/s1
SMILES: C[C@H]1C[C@@H](O[C@H]1[C@@H](C)/C=C/[C@H](CC[C@@H](C)C=O)O[Si](C)(C)C(C)(C)C)[C@H](C)OC
InChI: InChI=1S/C24H46O4Si/c1-17(16-25)11-13-21(28-29(9,10)24(5,6)7)14-12-18(2)23-19(3)15-22(27-23)20(4)26-8/h12,14,16-23H,11,13,15H2,1-10H3/b14-12+/t17-,18+,19+,20+,21+,22-,23+/m1/s1
SMILES: C[C@H](C=C[C@H](C)C(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@]12C)C
InChI: InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/t19-,20+,24+,26-,27-,28+/m0/s1
SMILES: COC(=O)[C@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI: InChI=1S/C12H15N5O4/c1-20-12(19)6-2-8(21-7(6)3-18)17-5-16-9-10(13)14-4-15-11(9)17/h4-8,18H,2-3H2,1H3,(H2,13,14,15)/t6-,7+,8+/m0/s1
SMILES: C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)Cl
InChI: InChI=1S/C19H25ClN2O3S/c20-16-7-6-15(19(23)21-17-11-13-4-5-14(17)10-13)12-18(16)26(24,25)22-8-2-1-3-9-22/h6-7,12-14,17H,1-5,8-11H2,(H,21,23)/t13-,14+,17-/m0/s1
SMILES: CO[C@H]1C[C@@H]([C@H]([C@@H](O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C21H26O5/c1-23-20-12-18(24-14-16-8-4-2-5-9-16)21(19(13-22)26-20)25-15-17-10-6-3-7-11-17/h2-11,18-22H,12-15H2,1H3/t18-,19-,20+,21+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=S)N(N=N2)[C@H]3CC(=O)[C@H]4OC[C@@H]3O4)C
InChI: InChI=1S/C15H16N4O3S/c1-8-3-4-10(5-9(8)2)18-15(23)19(17-16-18)11-6-12(20)14-21-7-13(11)22-14/h3-5,11,13-14H,6-7H2,1-2H3/t11-,13-,14-/m0/s1
SMILES: C1=CC=C2C3[C@@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCCl
InChI: InChI=1S/C20H16ClNO2/c21-9-10-22-19(23)17-15-11-5-1-2-6-12(11)16(18(17)20(22)24)14-8-4-3-7-13(14)15/h1-8,15-18H,9-10H2/t15?,16?,17-,18+
SMILES: C[C@H]1CC[C@@H]2[C@@]([C@H]1CO)(CC[C@@H](C2(C)C)OCOCCOC)C
InChI: InChI=1S/C19H36O4/c1-14-6-7-16-18(2,3)17(23-13-22-11-10-21-5)8-9-19(16,4)15(14)12-20/h14-17,20H,6-13H2,1-5H3/t14-,15-,16-,17-,19+/m0/s1
SMILES: C/C(=C\[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC(=CC=C2)OCC3=CC=CC=C3)/C(=O)OC
InChI: InChI=1S/C25H28O5/c1-17(23(26)28-4)13-21-22(25(21,2)3)24(27)30-16-19-11-8-12-20(14-19)29-15-18-9-6-5-7-10-18/h5-14,21-22H,15-16H2,1-4H3/b17-13+/t21-,22+/m1/s1
SMILES: CCCCC[C@H](/C=C/[C@@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O
InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+,19-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CN(N=C2)C3=CC=CC=C3)/C#N
InChI: InChI=1S/C20H22N4O/c1-15-7-5-6-10-19(15)23-20(25)17(12-21)11-16-13-22-24(14-16)18-8-3-2-4-9-18/h2-4,8-9,11,13-15,19H,5-7,10H2,1H3,(H,23,25)/b17-11+/t15-,19-/m1/s1
SMILES: COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(=O)[C@]34[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NCC9=NC1=CC=CC=C1N9
InChI: InChI=1S/C52H43N5O7/c1-62-37-23-18-32(19-24-37)16-17-33-20-27-40-39(30-33)52(51(61)56-40)44(49(59)53-31-43-54-41-14-8-9-15-42(41)55-43)46-50(60)64-47(35-12-6-3-7-13-35)45(34-10-4-2-5-11-34)57(46)48(52)36-21-25-38(26-22-36)63-29-28-58/h2-15,18-27,30,44-48,58H,28-29,31H2,1H3,(H,53,59)(H,54,55)(H,56,61)/t44-,45-,46-,47+,48+,52-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3[C@@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)C
InChI: InChI=1S/C22H29ClO4/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,25,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17-,19-,20+,21+,22+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)(C3[C@@]1(C(=O)CC4=C([C@H](C[C@@]5([C@H]3OC(O5)S)C4(C)C)O[Si](CC)(CC)CC)C)C)OC(=O)C
InChI: InChI=1S/C35H60O8SSi2/c1-12-45(13-2,14-3)42-25-20-35-30(39-31(44)41-35)29-33(11,26(37)18-24(22(25)7)32(35,9)10)27(43-46(15-4,16-5)17-6)19-28-34(29,21-38-28)40-23(8)36/h25,27-31,44H,12-21H2,1-11H3/t25-,27-,28+,29?,30-,31?,33+,34-,35+/m0/s1
SMILES: CN(CC1CC1)[C@@H]2CCCC[C@H]2N(C)C(=O)CC3=C4C=CSC4=CC=C3
InChI: InChI=1S/C22H30N2OS/c1-23(15-16-10-11-16)19-7-3-4-8-20(19)24(2)22(25)14-17-6-5-9-21-18(17)12-13-26-21/h5-6,9,12-13,16,19-20H,3-4,7-8,10-11,14-15H2,1-2H3/t19-,20-/m1/s1
SMILES: CN1C(=O)N([C@@]2([C@]1(NN3C4=C(C(=O)C5=CC=CC=C5C4=O)SC3=N2)C6=CC=CC=C6)C7=CC=CC=C7)C
InChI: InChI=1S/C28H21N5O3S/c1-31-26(36)32(2)28(18-13-7-4-8-14-18)27(31,17-11-5-3-6-12-17)29-25-33(30-28)21-22(34)19-15-9-10-16-20(19)23(35)24(21)37-25/h3-16,30H,1-2H3/t27-,28+/m1/s1
SMILES: CCN1C(=O)[C@@H]2CC[C@H]\3[C@@H]([C@@H]2C1=O)[C@@H]([C@@H](C/C3=N\OC[C@H](COCC4=CC=CO4)O)O)O
InChI: InChI=1S/C22H30N2O8/c1-2-24-21(28)15-6-5-14-16(8-17(26)20(27)18(14)19(15)22(24)29)23-32-10-12(25)9-30-11-13-4-3-7-31-13/h3-4,7,12,14-15,17-20,25-27H,2,5-6,8-11H2,1H3/b23-16+/t12-,14+,15+,17+,18-,19+,20+/m0/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCC5=CC=CC=C5F)CCCCO)CCCCO)OCC=C)N(CC6=CC=CC7=CC=CC=C76)C(=O)OCCCl
InChI: InChI=1S/C52H62ClFN2O8/c1-5-28-62-52-47(56(50(59)60-29-25-53)33-37-19-14-18-35-15-6-8-20-40(35)37)32-45(55-64-51(2,3)4)42-30-36(16-10-12-26-57)41(21-11-13-27-58)48(49(42)52)43-31-39(23-24-46(43)63-52)61-34-38-17-7-9-22-44(38)54/h5-9,14-15,17-20,22-24,30-31,36,41,47-49,57-58H,1,10-13,16,21,25-29,32-34H2,2-4H3/t36-,41+,47-,48+,49+,52+/m0/s1
SMILES: C/C=C(\C)/C(=O)O[C@@H]1[C@H]2[C@H](C[C@@]3([C@H]1[C@@](CC[C@@H]3O)(C)O)C)OC(=O)C2=C
InChI: InChI=1S/C20H28O6/c1-6-10(2)17(22)26-15-14-11(3)18(23)25-12(14)9-19(4)13(21)7-8-20(5,24)16(15)19/h6,12-16,21,24H,3,7-9H2,1-2,4-5H3/b10-6+/t12-,13-,14+,15+,16-,19-,20-/m0/s1
SMILES: CN(C1CN=C(NC1=O)NC(=O)N)C(=O)C[C@]2(C[C@H]2CNC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C28H33N7O7/c1-35(21-15-30-25(32-23(21)37)33-24(29)38)22(36)13-28(34-27(40)42-17-19-10-6-3-7-11-19)12-20(28)14-31-26(39)41-16-18-8-4-2-5-9-18/h2-11,20-21H,12-17H2,1H3,(H,31,39)(H,34,40)(H4,29,30,32,33,37,38)/t20-,21?,28-/m0/s1
SMILES: CCC(CC)(C=CC=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C[C@@H](C3=C)O)O)C)O
InChI: InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/t21-,25-,26-,27+,28+,29-/m1/s1
SMILES: CC(C)(CCOC(=O)N)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C31H41N3O11S/c1-31(2,11-13-41-29(32)36)18-34(46(38,39)21-8-9-25-26(15-21)44-19-43-25)16-24(35)23(14-20-6-4-3-5-7-20)33-30(37)45-27-17-42-28-22(27)10-12-40-28/h3-9,15,22-24,27-28,35H,10-14,16-19H2,1-2H3,(H2,32,36)(H,33,37)/t22-,23-,24+,27-,28+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F.C(=O)(O)P(=O)(O)O
InChI: InChI=1S/C10H13FN2O4.CH3O5P/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8;2-1(3)7(4,5)6/h3,6-8,14H,2,4H2,1H3,(H,12,15,16);(H,2,3)(H2,4,5,6)/t6-,7+,8+;/m0./s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4CC(NC4)C5=CC(=CC=C5)N)C
InChI: InChI=1S/C44H71N5O10/c1-12-34-44(8)38(49(42(54)59-44)19-14-13-18-48-23-32(46-24-48)30-16-15-17-31(45)21-30)27(4)35(50)25(2)22-43(7,55-11)39(28(5)36(51)29(6)40(53)57-34)58-41-37(52)33(47(9)10)20-26(3)56-41/h15-17,21,25-29,32-34,37-39,41,46,52H,12-14,18-20,22-24,45H2,1-11H3/t25-,26-,27+,28+,29-,32?,33+,34-,37-,38-,39-,41+,43-,44-/m1/s1