EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3CC[C@@H](C[C@H]3C2=O)C
InChI: InChI=1S/C19H23NO4/c1-3-10-24-19(23)13-5-7-14(8-6-13)20-17(21)15-9-4-12(2)11-16(15)18(20)22/h5-8,12,15-16H,3-4,9-11H2,1-2H3/t12-,15+,16+/m0/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@@]4([C@@H]([C@H]2O1)ON([C@@H]4C(=O)O3)CC5=CC=C(C=C5)C=C6CCC7[C@](O7)(CC[C@@H]8[C@@H]6CC8(C)C)C)C(=O)NCC9=CC(=CC=C9)C(=O)NCCO)CCCCC
InChI: InChI=1S/C52H71N3O9/c1-6-8-10-22-51(23-11-9-7-2)62-42-40-30-52(48(59)54-31-35-13-12-14-37(28-35)46(57)53-25-26-56)44(47(58)60-40)55(64-45(52)43(42)63-51)32-34-17-15-33(16-18-34)27-36-19-20-41-50(5,61-41)24-21-39-38(36)29-49(39,3)4/h12-18,27-28,38-45,56H,6-11,19-26,29-32H2,1-5H3,(H,53,57)(H,54,59)/t38-,39-,40-,41?,42+,43+,44-,45-,50-,52-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]2[C@H]([C@H]3[C@@H](C(=O)O2)OCO3)O[C@@H]1C4=CC=CC=C4
InChI: InChI=1S/C16H16O7/c1-8(17)21-12-10(9-5-3-2-4-6-9)22-13-11-15(20-7-19-11)16(18)23-14(12)13/h2-6,10-15H,7H2,1H3/t10-,11+,12-,13+,14+,15+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]3[C@H]1[C@@H]3[C@@H]2O
InChI: InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-6-4-5-7(8(5)12)9(6)13/h5-9,13H,4H2,1-3H3/t5-,6+,7+,8-,9+/m0/s1
SMILES: COCOC1=CC(=C(C(=C1)OCOC)C(=O)[C@H]2[C@@H](O2)C3=CC(=C(C=C3)OC)OC)OCOC
InChI: InChI=1S/C23H28O10/c1-25-11-30-15-9-18(31-12-26-2)20(19(10-15)32-13-27-3)21(24)23-22(33-23)14-6-7-16(28-4)17(8-14)29-5/h6-10,22-23H,11-13H2,1-5H3/t22-,23-/m0/s1
SMILES: CC1=CC[C@@H]2C[C@H]1[C@@H](OC2(C)C)C3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C19H27NO/c1-13-6-9-15-12-17(13)18(21-19(15,2)3)14-7-10-16(11-8-14)20(4)5/h6-8,10-11,15,17-18H,9,12H2,1-5H3/t15-,17-,18+/m1/s1
SMILES: C/C=C/[C@H]1[C@H]2[C@@H]([C@@H](CO1)[C@@H](C=C2C)C)C
InChI: InChI=1S/C14H22O/c1-5-6-13-14-10(3)7-9(2)12(8-15-13)11(14)4/h5-7,9,11-14H,8H2,1-4H3/b6-5+/t9-,11-,12+,13+,14-/m1/s1
SMILES: C[C@]12CC(=O)[C@H]3[C@@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C18H22O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-14,16-17,19,21H,2,4,6-7,9H2,1H3/t13-,14+,16+,17-,18+/m1/s1
SMILES: CC1=CC=CC=C1N2[C@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=CC=C4Cl)C5=CC=C(C=C5)OC
InChI: InChI=1S/C25H21ClN2O4/c1-15-7-3-5-9-19(15)28-22(16-11-13-17(31-2)14-12-16)21-23(32-28)25(30)27(24(21)29)20-10-6-4-8-18(20)26/h3-14,21-23H,1-2H3/t21-,22-,23+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CC(=O)NC4=CC=C(C=C4)F
InChI: InChI=1S/C17H15FN2O3/c18-11-3-5-12(6-4-11)19-13(21)8-20-16(22)14-9-1-2-10(7-9)15(14)17(20)23/h1-6,9-10,14-15H,7-8H2,(H,19,21)/t9-,10+,14+,15-
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)C(=O)NC5=CC=C(C=C5)OC)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=C(C=C7)OC)C
InChI: InChI=1S/C48H62N2O6/c1-31-8-7-24-47(4)42(40-22-10-32(26-37(51)17-9-31)27-41(40)44(52)33-12-18-38(55-5)19-13-33)23-25-48(47,54)30-50(29-34-11-14-35-28-43(34)46(35,2)3)45(53)49-36-15-20-39(56-6)21-16-36/h8,10,12-13,15-16,18-22,27,34-35,37,42-43,51,54H,7,9,11,14,17,23-26,28-30H2,1-6H3,(H,49,53)/t34-,35-,37-,42-,43-,47-,48+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]([C@H]([C@@H](CO)O)O)C(C=O)NC(=O)C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O
InChI: InChI=1S/C22H38N2O16/c1-7(29)23-9(3-25)19(14(32)10(31)4-26)39-21-13(24-8(2)30)16(34)20(12(6-28)38-21)40-22-18(36)17(35)15(33)11(5-27)37-22/h3,9-22,26-28,31-36H,4-6H2,1-2H3,(H,23,29)(H,24,30)/t9?,10-,11-,12-,13-,14+,15+,16-,17+,18-,19-,20-,21+,22+/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C=C5)O)F)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)Cl
InChI: InChI=1S/C34H24Cl2FN3O6/c1-39-31(44)33(35)15-21-19(27(34(33,36)32(39)45)17-8-13-24(41)22(37)14-17)11-12-20-26(21)30(43)40(29(20)42)18-9-6-16(7-10-18)28-38-23-4-2-3-5-25(23)46-28/h2-11,13-14,20-21,26-27,41H,12,15H2,1H3/t20-,21+,26-,27-,33+,34-/m0/s1
SMILES: CCOC(=O)[C@@]12[C@@H]3[C@@H](C(=O)OC3=O)[C@]4(O1)CC[C@@H](N4C2=O)C(=O)OC(C)(C)C
InChI: InChI=1S/C18H21NO9/c1-5-25-15(24)18-10-9(12(21)26-13(10)22)17(28-18)7-6-8(19(17)14(18)23)11(20)27-16(2,3)4/h8-10H,5-7H2,1-4H3/t8-,9+,10-,17-,18+/m1/s1
SMILES: C1=CC=C2C=C(C=CC2=C1)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O
InChI: InChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-20H,8H2/t12-,13-,14-,15-,16+/m0/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)CNC(=O)C[NH+]2CC[C@H]3CCCC[C@@H]3C2)C
InChI: InChI=1S/C21H31N3O2/c1-15-6-5-9-19(16(15)2)23-20(25)12-22-21(26)14-24-11-10-17-7-3-4-8-18(17)13-24/h5-6,9,17-18H,3-4,7-8,10-14H2,1-2H3,(H,22,26)(H,23,25)/p+1/t17-,18-/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NCC2=CC(=CC=C2)F)C3=CC=CC=C3)CCCO
InChI: InChI=1S/C24H28FNO4/c1-2-29-24-20(12-7-13-27)21(18-9-4-3-5-10-18)15-22(30-24)23(28)26-16-17-8-6-11-19(25)14-17/h3-6,8-11,14-15,20-21,24,27H,2,7,12-13,16H2,1H3,(H,26,28)/t20-,21+,24+/m1/s1
SMILES: C=CCO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1OCC2=CC=CC=C2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OCC4=CC=CC=C4)N=[N+]=[N-])OC(=N)C(Cl)(Cl)Cl)COCC5=CC=CC=C5)COCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C52H55Cl3N4O10/c1-2-28-62-47-44(63-31-38-22-12-5-13-23-38)41(34-60-29-36-18-8-3-9-19-36)67-50(48(47)65-33-40-26-16-7-17-27-40)68-45-42(35-61-30-37-20-10-4-11-21-37)66-49(69-51(56)52(53,54)55)43(58-59-57)46(45)64-32-39-24-14-6-15-25-39/h2-27,41-50,56H,1,28-35H2/t41-,42-,43-,44+,45-,46-,47+,48-,49+,50+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCSC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N
InChI: InChI=1S/C28H40F3N5O10S/c29-28(30,31)10-1-2-11-14(5-10)36-4-3-17(11)47-9-42-23-13(34)6-12(33)19(38)25(23)46-27-22(41)24(16(8-37)44-27)45-26-18(35)21(40)20(39)15(7-32)43-26/h1-5,12-13,15-16,18-27,37-41H,6-9,32-35H2/t12-,13+,15+,16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27+/m1/s1
SMILES: CN1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C21H21N5O2/c1-26-7-6-14-16(9-22)20(25)21(11-23,12-24)19(17(14)10-26)15-5-4-13(27-2)8-18(15)28-3/h4-6,8,17,19H,7,10,25H2,1-3H3/t17-,19-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NC(=C3C4=C(CCCC4)SC3=N2)N
InChI: InChI=1S/C19H26N4OS2/c1-11-6-2-4-8-13(11)21-15(24)10-25-19-22-17(20)16-12-7-3-5-9-14(12)26-18(16)23-19/h11,13H,2-10H2,1H3,(H,21,24)(H2,20,22,23)/t11-,13-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H36N2O14/c1-16(36)44-15-26-28(46-17(2)37)29(47-18(3)38)30(48-19(4)39)31(49-26)35-27(40)13-25(32(41)42)34-33(43)45-14-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-26,28-31H,13-15H2,1-4H3,(H,34,43)(H,35,40)(H,41,42)/t25-,26+,28-,29-,30+,31+/m0/s1
SMILES: CCC1=CC=C(C=C1)C(C2=CC=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)(F)F
InChI: InChI=1S/C21H24F2O5/c1-2-12-6-8-14(9-7-12)21(22,23)15-5-3-4-13(10-15)20-19(27)18(26)17(25)16(11-24)28-20/h3-10,16-20,24-27H,2,11H2,1H3/t16-,17-,18+,19-,20+/m1/s1
SMILES: C[C@]1(CC[C@@H]2C[C@H]1OO[C@@]2(C)C[S@](=O)C3=CC=CC=C3)O
InChI: InChI=1S/C16H22O4S/c1-15(17)9-8-12-10-14(15)19-20-16(12,2)11-21(18)13-6-4-3-5-7-13/h3-7,12,14,17H,8-11H2,1-2H3/t12-,14-,15-,16+,21+/m1/s1
SMILES: COC1=CC=CC=C1N2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)C4CC4
InChI: InChI=1S/C16H18N2O4S2/c1-22-13-5-3-2-4-11(13)18-12-8-24(20,21)9-14(12)23-16(18)17-15(19)10-6-7-10/h2-5,10,12,14H,6-9H2,1H3/t12-,14+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CCC(=O)C2=CC=C(C=C2)F
InChI: InChI=1S/C20H26FNO4/c1-13-5-3-4-6-17(13)22-20(25)14(2)26-19(24)12-11-18(23)15-7-9-16(21)10-8-15/h7-10,13-14,17H,3-6,11-12H2,1-2H3,(H,22,25)/t13-,14+,17-/m0/s1
SMILES: CC[Si](CC)(CC)OC[C@@H]1C(=C(CC[C@]1(CCC#N)C(=O)C=C)[C@@H]2COC(O2)(C)C)C
InChI: InChI=1S/C25H41NO4Si/c1-8-23(27)25(14-12-16-26)15-13-20(22-18-28-24(6,7)30-22)19(5)21(25)17-29-31(9-2,10-3)11-4/h8,21-22H,1,9-15,17-18H2,2-7H3/t21-,22+,25+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Br)N2C(=O)SSC2=O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H16BrNO9S2/c1-5(17)22-4-8-10(23-6(2)18)11(24-7(3)19)9(12(15)25-8)16-13(20)26-27-14(16)21/h8-12H,4H2,1-3H3/t8-,9-,10-,11-,12-/m1/s1
SMILES: C[C@H](C/C=C/C(=N/OC)/C(C)(C)C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C30H45NO3/c1-20(10-8-12-28(31-34-7)29(3,4)5)25-15-16-26-22(11-9-17-30(25,26)6)13-14-23-18-24(32)19-27(33)21(23)2/h8,12-15,20,24,26-27,32-33H,2,9-11,16-19H2,1,3-7H3/b12-8+,22-13+,23-14-,31-28-/t20-,24-,26+,27+,30-/m1/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)Cl)N
InChI: InChI=1S/C10H12ClN5O4/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-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]5[C@H]4C5
InChI: InChI=1S/C19H19NO4/c1-23-9-3-6-15(24-2)14(7-9)20-18(21)16-10-4-5-11(13-8-12(10)13)17(16)19(20)22/h3-7,10-13,16-17H,8H2,1-2H3/t10-,11+,12+,13-,16-,17+
SMILES: COC(=O)[C@@H]1[C@H](C(=O)CN1C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5)[C@H](C6=CC=CC7=CC=CC=C76)O
InChI: InChI=1S/C36H29NO4/c1-41-35(40)33-32(34(39)28-19-11-13-23-12-5-6-16-25(23)28)31(38)22-37(33)36(24-14-3-2-4-15-24)29-20-9-7-17-26(29)27-18-8-10-21-30(27)36/h2-21,32-34,39H,22H2,1H3/t32-,33-,34-/m0/s1
SMILES: COC1=CC=CC(=C1)NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3
InChI: InChI=1S/C18H23NO4/c1-22-16-4-2-3-15(10-16)19-17(20)11-23-18(21)9-14-8-12-5-6-13(14)7-12/h2-4,10,12-14H,5-9,11H2,1H3,(H,19,20)/t12-,13-,14+/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@H]([C@@H]4C=C[C@@]3(C2=O)C5=CC=CC=C45)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C27H20ClNO2/c28-19-12-10-18(11-13-19)23-21-14-15-27(22-9-5-4-8-20(21)22)24(23)25(30)29(26(27)31)16-17-6-2-1-3-7-17/h1-15,21,23-24H,16H2/t21-,23+,24+,27-/m1/s1
SMILES: CC(C)CCC[C@]1([C@@H](C[C@]2(C(=O)C(C([C@@]1(C2=O)C(=O)C(C)C)[O-])CCC(C)C)CCC(C)C)CCC(C)C)C.CC12CC3CC(C1)(CC(C3)(C2)[NH3+])C
InChI: InChI=1S/C35H61O4.C12H21N/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10;1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h22-28,31H,12-21H2,1-11H3;9H,3-8,13H2,1-2H3/q-1;/p+1/t27-,28?,31?,33+,34+,35-;/m1./s1
SMILES: C[C@@H]1[C@@](C(=O)OCC2=CCN3[C@H]2[C@H](O1)CC3)(C(C)C)O
InChI: InChI=1S/C15H23NO4/c1-9(2)15(18)10(3)20-12-5-7-16-6-4-11(13(12)16)8-19-14(15)17/h4,9-10,12-13,18H,5-8H2,1-3H3/t10-,12-,13-,15-/m1/s1
SMILES: CC1(O[C@@H]2C[C@@]3([C@H](C(=O)O[C@@H]2O1)OC(O3)(C)C)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C
InChI: InChI=1S/C25H28O7/c1-22(2)29-18-15-24(19(30-23(3,4)32-24)20(26)28-21(18)31-22)25(27,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18-19,21,27H,15H2,1-4H3/t18-,19+,21-,24-/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)[C@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3
InChI: InChI=1S/C19H19NO7/c1-25-17(22)9-2-4-11(5-3-9)20-14(21)8-26-18(23)15-10-6-12-13(7-10)27-19(24)16(12)15/h2-5,10,12-13,15-16H,6-8H2,1H3,(H,20,21)/t10-,12+,13-,15+,16+/m1/s1
SMILES: CC1=CC(=CC(=C1)NC(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)NC3=CC(=CC(=C3)C)C)OC(=O)NC4=CC(=CC(=C4)C)C)O)CO)C
InChI: InChI=1S/C33H39N3O9/c1-17-7-18(2)11-23(10-17)34-31(39)43-27-26(16-37)42-30(38)29(45-33(41)36-25-14-21(5)9-22(6)15-25)28(27)44-32(40)35-24-12-19(3)8-20(4)13-24/h7-15,26-30,37-38H,16H2,1-6H3,(H,34,39)(H,35,40)(H,36,41)/t26-,27-,28+,29-,30-/m1/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@H]1[C@H]([C@H](O[C@H](O1)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)CO)C
InChI: InChI=1S/C42H60N2O4/c1-4-6-8-10-12-17-28-44(29-18-13-11-9-7-5-2)31-39-33(3)40(35-26-24-34(32-45)25-27-35)48-42(47-39)37-22-19-23-38(30-37)43-41(46)36-20-15-14-16-21-36/h14-16,19-27,30,33,39-40,42,45H,4-13,17-18,28-29,31-32H2,1-3H3,(H,43,46)/t33-,39+,40+,42+/m1/s1
SMILES: C1CN([C@@H]2[C@]1(C3=CC=CC=C3N2)C4=CNC5=CC=CC=C54)C(=O)C(F)(F)F
InChI: InChI=1S/C20H16F3N3O/c21-20(22,23)18(27)26-10-9-19(13-6-2-4-8-16(13)25-17(19)26)14-11-24-15-7-3-1-5-12(14)15/h1-8,11,17,24-25H,9-10H2/t17-,19-/m1/s1
SMILES: C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C
InChI: InChI=1S/C32H58N2O5S/c1-23(10-15-30(36)33-19-8-20-34(4,5)21-25(35)22-40(37,38)39)27-13-14-28-26-12-11-24-9-6-7-17-31(24,2)29(26)16-18-32(27,28)3/h23-29,35H,6-22H2,1-5H3,(H-,33,36,37,38,39)/t23-,24-,25?,26+,27-,28+,29+,31+,32-/m1/s1
SMILES: C[C@@H]1CCC[C@@H](N1C(=O)COC(=O)[C@H]2C[C@H]3C[C@@H]2C=C3)C
InChI: InChI=1S/C17H25NO3/c1-11-4-3-5-12(2)18(11)16(19)10-21-17(20)15-9-13-6-7-14(15)8-13/h6-7,11-15H,3-5,8-10H2,1-2H3/t11-,12+,13-,14+,15+/m1/s1
SMILES: C[C@@H]1C[N+]2=C3C[C@H]1C(=O)C4=C5[C@@]3([C@@H](C2)CCC(=C5C6=C4C(=O)OCC6)[O-])C
InChI: InChI=1S/C22H23NO4/c1-10-8-23-9-11-3-4-14(24)16-12-5-6-27-21(26)17(12)18-19(16)22(11,2)15(23)7-13(10)20(18)25/h10-11,13H,3-9H2,1-2H3/t10-,11-,13-,22-/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(C)C(=O)C5=CC6=C(C=C5)OCO6)OCC=C
InChI: InChI=1S/C50H71N3O10/c1-5-7-8-9-10-11-12-13-14-17-26-51-49(57)62-37-23-25-42-40(32-37)46-38(21-16-19-28-55)35(20-15-18-27-54)30-39-41(52-58-4)33-45(50(63-42,47(39)46)61-29-6-2)53(3)48(56)36-22-24-43-44(31-36)60-34-59-43/h6,22-25,30-32,35,38,45-47,54-55H,2,5,7-21,26-29,33-34H2,1,3-4H3,(H,51,57)/t35-,38+,45-,46+,47+,50+/m0/s1
SMILES: C[C@H](C[C@@H]1C[C@](C(=O)N1CCC2=CC=CC=C2)(C)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C/5\C[C@H](C[C@@H](C5=C)O)O)C
InChI: InChI=1S/C35H49NO4/c1-23(19-28-22-35(4,40)33(39)36(28)18-16-25-9-6-5-7-10-25)30-14-15-31-26(11-8-17-34(30,31)3)12-13-27-20-29(37)21-32(38)24(27)2/h5-7,9-10,12-13,23,28-32,37-38,40H,2,8,11,14-22H2,1,3-4H3/b26-12+,27-13-/t23-,28-,29-,30-,31+,32+,34-,35+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC4=CC=C(C=C4)OC)CNC(=O)OCC5=CC=C(C=C5)OC)C(=O)OC(=O)OCC6=CC=C(C=C6)OC)[C@@H](C)O
InChI: InChI=1S/C42H47N3O13S/c1-24-35-34(25(2)46)38(47)45(35)36(39(48)58-42(51)57-23-28-10-16-32(54-5)17-11-28)37(24)59-33-18-29(19-43-40(49)55-21-26-6-12-30(52-3)13-7-26)44(20-33)41(50)56-22-27-8-14-31(53-4)15-9-27/h6-17,24-25,29,33-35,46H,18-23H2,1-5H3,(H,43,49)/t24-,25-,29+,33+,34-,35-/m1/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC[C@@H](CN2CCN(CC2)C3=CC=CC=C3)O)C(C)C
InChI: InChI=1S/C23H38N2O2/c1-18(2)22-10-9-19(3)15-23(22)27-17-21(26)16-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-8,18-19,21-23,26H,9-17H2,1-3H3/t19-,21+,22-,23+/m0/s1
SMILES: CC1=C2[C@H]3[C@H](C3(C)C)CC2=C(S1)C(=O)CCC4=CC(=C(C=C4)OCC(CNC)O)Cl
InChI: InChI=1S/C24H30ClNO3S/c1-13-21-16(10-17-22(21)24(17,2)3)23(30-13)19(28)7-5-14-6-8-20(18(25)9-14)29-12-15(27)11-26-4/h6,8-9,15,17,22,26-27H,5,7,10-12H2,1-4H3/t15?,17-,22-/m1/s1
SMILES: CC1(O[C@@H]([C@@H](O1)C(C#C[Si](C)(C)C)O)[C@@H](CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O)C
InChI: InChI=1S/C29H42O5Si2/c1-28(2,3)36(22-15-11-9-12-16-22,23-17-13-10-14-18-23)32-21-25(31)27-26(33-29(4,5)34-27)24(30)19-20-35(6,7)8/h9-18,24-27,30-31H,21H2,1-8H3/t24?,25-,26+,27-/m1/s1
SMILES: C1[C@@H]2C[C@H]3[C@H]1[C@H]([C@@H]2C(=O)NC4=C(C=C(C=C4)Br)Cl)C(=O)O3
InChI: InChI=1S/C15H13BrClNO3/c16-7-1-2-10(9(17)5-7)18-14(19)12-6-3-8-11(4-6)21-15(20)13(8)12/h1-2,5-6,8,11-13H,3-4H2,(H,18,19)/t6-,8+,11+,12-,13-/m1/s1
SMILES: C1C[C@@H]2[C@H](N(N=C2/C(=C/C3=CC=C(C=C3)Cl)/C1)C4=NC(=CS4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)Cl
InChI: InChI=1S/C29H22Cl2N4O2S/c30-22-10-4-18(5-11-22)16-21-2-1-3-25-27(21)33-34(28(25)20-6-12-23(31)13-7-20)29-32-26(17-38-29)19-8-14-24(15-9-19)35(36)37/h4-17,25,28H,1-3H2/b21-16+/t25-,28+/m0/s1
SMILES: C[C@@H](CC=C)C(=O)O[C@H]1[C@H]([C@H](O[C@@H]([C@@H]1OC(=O)[C@@H](C)CC=C)OC)CO)OC(=O)NC2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C27H35NO11/c1-6-8-15(3)24(30)37-22-21(39-27(32)28-17-10-11-18-19(12-17)35-14-34-18)20(13-29)36-26(33-5)23(22)38-25(31)16(4)9-7-2/h6-7,10-12,15-16,20-23,26,29H,1-2,8-9,13-14H2,3-5H3,(H,28,32)/t15-,16-,20+,21-,22-,23+,26-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2[C@H](SC([C@@H]2OS(=O)(=O)C3=CC=C(C=C3)C)Br)COC(=O)C
InChI: InChI=1S/C21H23BrO8S3/c1-13-4-8-16(9-5-13)32(24,25)29-19-18(12-28-15(3)23)31-21(22)20(19)30-33(26,27)17-10-6-14(2)7-11-17/h4-11,18-21H,12H2,1-3H3/t18-,19+,20-,21?/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@H]2C(=O)OC)C3=CC=C(C=C3)OC
InChI: InChI=1S/C18H19NO5S/c1-12-4-10-15(11-5-12)25(21,22)19-16(17(19)18(20)24-3)13-6-8-14(23-2)9-7-13/h4-11,16-17H,1-3H3/t16-,17+,19?/m1/s1
SMILES: CCO[C@@H]1C[C@@]2([C@H]([C@@H](O1)OCC)[C@@]3([C@H]([C@H]2OC(=O)C4=CC=C(C=C4)O)O3)CO)O
InChI: InChI=1S/C20H26O9/c1-3-25-13-9-19(24)14(18(27-13)26-4-2)20(10-21)16(29-20)15(19)28-17(23)11-5-7-12(22)8-6-11/h5-8,13-16,18,21-22,24H,3-4,9-10H2,1-2H3/t13-,14-,15+,16-,18+,19-,20+/m0/s1
SMILES: CC1(N([C@H]([C@@H](O1)C(=O)O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C17H23NO5/c1-16(2,3)23-15(21)18-12(11-9-7-6-8-10-11)13(14(19)20)22-17(18,4)5/h6-10,12-13H,1-5H3,(H,19,20)/t12-,13+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CON=C3[C@H]4CCN5C(=O)N(C(=O)N5[C@H]4[C@@H]([C@H]6[C@@H]3O6)O)C7=CC=CC=C7)O)O)C
InChI: InChI=1S/C25H30N4O10/c1-25(2)38-21-17(32)18(37-22(21)39-25)13(30)10-35-26-14-12-8-9-27-23(33)28(11-6-4-3-5-7-11)24(34)29(27)15(12)16(31)20-19(14)36-20/h3-7,12-13,15-22,30-32H,8-10H2,1-2H3/t12-,13-,15-,16+,17+,18-,19-,20+,21-,22-/m1/s1
SMILES: CC(C)C1=C(C=C2C(=C1)C(=O)[C@H]([C@@H]3[C@@]2(C(=O)CCC3(C)C)C)O)O
InChI: InChI=1S/C20H26O4/c1-10(2)11-8-12-13(9-14(11)21)20(5)15(22)6-7-19(3,4)18(20)17(24)16(12)23/h8-10,17-18,21,24H,6-7H2,1-5H3/t17-,18+,20+/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)C5=NC6=CC=CC=C6N=C5)CN7CCN(CC7)C8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C45H44N6O6/c1-30-42(28-49-22-24-50(25-23-49)36-18-20-37(21-19-36)51(54)55)56-45(57-43(30)33-12-10-31(29-52)11-13-33)34-16-14-32(15-17-34)38-7-3-2-6-35(38)26-47-44(53)41-27-46-39-8-4-5-9-40(39)48-41/h2-21,27,30,42-43,45,52H,22-26,28-29H2,1H3,(H,47,53)/t30-,42+,43+,45+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC(=C3N)C(=O)N)COP(=O)(O)O)O
InChI: InChI=1S/C16H20N5O8P/c17-13-11(14(18)23)19-7-21(13)16-10(20-15(24)8-4-2-1-3-5-8)12(22)9(29-16)6-28-30(25,26)27/h1-5,7,9-10,12,16,22H,6,17H2,(H2,18,23)(H,20,24)(H2,25,26,27)/t9-,10-,12-,16-/m1/s1
SMILES: CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)[C@H]4CC=CC[C@@H]4C(=O)O
InChI: InChI=1S/C26H29N3O4/c1-18-8-2-7-13-23(18)28-14-16-29(17-15-28)25(31)21-11-5-6-12-22(21)27-24(30)19-9-3-4-10-20(19)26(32)33/h2-8,11-13,19-20H,9-10,14-17H2,1H3,(H,27,30)(H,32,33)/t19-,20-/m0/s1
SMILES: C[C@H]1CC/C=C(\C[C@@H]2C(=C(C(=O)O2)C)C[C@H]([C@@]3(CC[C@H]1O3)C)O)/C
InChI: InChI=1S/C20H30O4/c1-12-6-5-7-13(2)16-8-9-20(4,24-16)18(21)11-15-14(3)19(22)23-17(15)10-12/h6,13,16-18,21H,5,7-11H2,1-4H3/b12-6-/t13-,16+,17+,18+,20-/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-/m0/s1
SMILES: C[NH+]1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC(=CC=C3)OC4=CC=CC=C4
InChI: InChI=1S/C25H21N5O/c1-30-11-10-20-21(13-26)24(29)25(15-27,16-28)23(22(20)14-30)17-6-5-9-19(12-17)31-18-7-3-2-4-8-18/h2-10,12,21-23,29H,11,14H2,1H3/p+1/t21?,22-,23-/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@@H]2[C@H]([C@@H]3CCCN3[C@@]24C5=CC=CC=C5NC4=O)[N+](=O)[O-])OC
InChI: InChI=1S/C22H23N3O5/c1-29-13-9-10-14(18(12-13)30-2)19-20(25(27)28)17-8-5-11-24(17)22(19)15-6-3-4-7-16(15)23-21(22)26/h3-4,6-7,9-10,12,17,19-20H,5,8,11H2,1-2H3,(H,23,26)/t17-,19+,20-,22-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H](C(=C(N1)C)C(=O)OC)C2=CC=CC=C2)C(=O)OC
InChI: InChI=1S/C17H21NO4/c1-10-13(16(19)21-3)15(12-8-6-5-7-9-12)14(11(2)18-10)17(20)22-4/h5-10,13,15,18H,1-4H3/t10-,13-,15+/m1/s1
SMILES: CCN(C1=CC(=C(C=C1NC(=O)C)NC(=O)C)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)C
InChI: InChI=1S/C20H29N3O8S/c1-5-23(11(4)27)14-7-16(13(22-10(3)26)6-12(14)21-9(2)25)32-20-19(30)18(29)17(28)15(8-24)31-20/h6-7,15,17-20,24,28-30H,5,8H2,1-4H3,(H,21,25)(H,22,26)/t15-,17+,18+,19-,20+/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)OCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]
InChI: InChI=1S/C18H15ClN2O7/c19-13-6-5-10(7-14(13)21(26)27)15(22)9-28-16(23)8-20-17(24)11-3-1-2-4-12(11)18(20)25/h1-2,5-7,11-12H,3-4,8-9H2/t11-,12-/m0/s1
SMILES: CC1(O[C@H]2[C@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)NCC(=O)NC)C
InChI: InChI=1S/C15H24N2O7/c1-14(2)21-8-9(22-14)11-13(24-15(3,4)23-11)20-10(8)12(19)17-6-7(18)16-5/h8-11,13H,6H2,1-5H3,(H,16,18)(H,17,19)/t8-,9-,10+,11+,13-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)O[C@@H]([C@@]2(C(=O)OC)N=[N+]=[N-])CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI: InChI=1S/C26H33N3O6Si/c1-24(2,3)36(18-13-9-7-10-14-18,19-15-11-8-12-16-19)32-17-20-26(28-29-27,23(30)31-6)21-22(33-20)35-25(4,5)34-21/h7-16,20-22H,17H2,1-6H3/t20-,21-,22+,26-/m1/s1
SMILES: CC1=C(C=CC(=C1)NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3)Br
InChI: InChI=1S/C18H18BrNO5/c1-8-4-10(2-3-12(8)19)20-14(21)7-24-17(22)15-9-5-11-13(6-9)25-18(23)16(11)15/h2-4,9,11,13,15-16H,5-7H2,1H3,(H,20,21)/t9-,11+,13-,15-,16+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C\2/CC[C@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C20H28N2O4/c1-24-17-11-15(12-18(25-2)19(17)26-3)20(23)22-21-16-9-8-13-6-4-5-7-14(13)10-16/h11-14H,4-10H2,1-3H3,(H,22,23)/b21-16-/t13-,14-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)Cl
InChI: InChI=1S/C18H26ClN3O2/c1-13-5-3-4-6-16(13)21-18(24)12-22(2)11-17(23)20-15-9-7-14(19)8-10-15/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,20,23)(H,21,24)/t13-,16-/m1/s1
SMILES: C1=CC=C2C3[C@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCO
InChI: InChI=1S/C20H17NO3/c22-10-9-21-19(23)17-15-11-5-1-2-6-12(11)16(18(17)20(21)24)14-8-4-3-7-13(14)15/h1-8,15-18,22H,9-10H2/t15?,16?,17-,18-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](NC(=O)N([C@@]1(C(F)(F)F)O)C)C2=CC=C(C=C2)F
InChI: InChI=1S/C15H16F4N2O4/c1-3-25-12(22)10-11(8-4-6-9(16)7-5-8)20-13(23)21(2)14(10,24)15(17,18)19/h4-7,10-11,24H,3H2,1-2H3,(H,20,23)/t10-,11-,14-/m1/s1
SMILES: C[C@@H]1CC2=CCCC([C@H]2C[C@H]1/C=N\NC3=NC4=C(C5=CC=CC=C5N4C)N=N3)(C)C
InChI: InChI=1S/C24H30N6/c1-15-12-16-8-7-11-24(2,3)19(16)13-17(15)14-25-28-23-26-22-21(27-29-23)18-9-5-6-10-20(18)30(22)4/h5-6,8-10,14-15,17,19H,7,11-13H2,1-4H3,(H,26,28,29)/b25-14-/t15-,17+,19+/m1/s1
SMILES: CC1=C(C=CC=C1Cl)N2[C@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)CCC(=O)O
InChI: InChI=1S/C16H17ClN2O5S2/c1-9-10(17)3-2-4-11(9)19-12-7-26(23,24)8-13(12)25-16(19)18-14(20)5-6-15(21)22/h2-4,12-13H,5-8H2,1H3,(H,21,22)/t12-,13-/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C=C(C=C5)O)Cl)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)Cl
InChI: InChI=1S/C28H21Cl3N2O7/c1-32-25(39)27(30)11-18-15(21(28(27,31)26(32)40)16-6-5-14(34)10-19(16)29)7-8-17-20(18)23(36)33(22(17)35)13-4-2-3-12(9-13)24(37)38/h2-7,9-10,17-18,20-21,34H,8,11H2,1H3,(H,37,38)/t17-,18+,20-,21+,27+,28-/m0/s1
SMILES: C[C@@]12CC[C@H]3C(=O)O[C@H](C[C@@]3([C@H]1CCCC24OCCO4)C)C5=COC=C5
InChI: InChI=1S/C21H28O5/c1-19-12-16(14-6-9-23-13-14)26-18(22)15(19)5-8-20(2)17(19)4-3-7-21(20)24-10-11-25-21/h6,9,13,15-17H,3-5,7-8,10-12H2,1-2H3/t15-,16+,17+,19-,20+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](OC[C@@]1(COCC2=CC=CC=C2)OC(=O)C)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OC(=N)C(Cl)(Cl)Cl)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C45H42Cl3NO15/c1-27(50)58-37-42(57-26-44(37,64-28(2)51)25-55-23-29-15-7-3-8-16-29)56-24-33-34(60-38(52)30-17-9-4-10-18-30)35(61-39(53)31-19-11-5-12-20-31)36(41(59-33)63-43(49)45(46,47)48)62-40(54)32-21-13-6-14-22-32/h3-22,33-37,41-42,49H,23-26H2,1-2H3/t33-,34-,35+,36-,37+,41-,42-,44-/m1/s1
SMILES: CCCC[C@@H](/C=C/C(=O)O[C@@H]1[C@H]([C@H]2[C@@]([C@H]([C@@H](C(=O)O2)C)O)(O[C@H]1C)C)C)O
InChI: InChI=1S/C20H32O7/c1-6-7-8-14(21)9-10-15(22)25-16-11(2)18-20(5,27-13(16)4)17(23)12(3)19(24)26-18/h9-14,16-18,21,23H,6-8H2,1-5H3/b10-9+/t11-,12+,13+,14+,16-,17+,18+,20-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)S)C
InChI: InChI=1S/C19H28OS/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16,21H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
SMILES: CC(=O)O[C@]12C=C[C@]([C@H]3[C@@H]1C(=O)OC3=O)([C@@H]4[C@H]2[C@@]5(C(=C([C@]4(C5(OC)OC)Cl)Cl)Cl)Cl)OC(=O)C
InChI: InChI=1S/C21H18Cl4O9/c1-7(26)33-17-5-6-18(34-8(2)27,10-9(17)15(28)32-16(10)29)12-11(17)19(24)13(22)14(23)20(12,25)21(19,30-3)31-4/h5-6,9-12H,1-4H3/t9-,10+,11-,12+,17-,18+,19+,20-
SMILES: CN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]
InChI: InChI=1S/C19H15ClN6O2/c1-25-5-4-12-14(7-21)18(24)19(9-22,10-23)17(15(12)8-25)13-3-2-11(20)6-16(13)26(27)28/h2-4,6,15,17H,5,8,24H2,1H3/t15-,17+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C=NOC[C@H]([C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)O)O)[C@H](C)C=CCC(=O)OC
InChI: InChI=1S/C25H36N2O10S/c1-15-9-11-17(12-10-15)38(31,32)27-18(16(2)7-6-8-20(29)33-5)13-26-34-14-19(28)22-21(30)23-24(35-22)37-25(3,4)36-23/h6-7,9-13,16,18-19,21-24,27-28,30H,8,14H2,1-5H3/t16-,18-,19-,21+,22-,23-,24-/m1/s1