EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC(=CC=C5)C=CCC6=CC=CC=C6O)C(=O)NCCC(=O)NCCO)CCCCC
InChI: InChI=1S/C41H55N3O9/c1-3-5-9-20-40(21-10-6-4-2)51-34-32-26-41(39(49)43-22-19-33(47)42-23-24-45)36(38(48)50-32)44(53-37(41)35(34)52-40)27-29-15-11-13-28(25-29)14-12-17-30-16-7-8-18-31(30)46/h7-8,11-16,18,25,32,34-37,45-46H,3-6,9-10,17,19-24,26-27H2,1-2H3,(H,42,47)(H,43,49)/t32-,34+,35+,36+,37-,41+/m1/s1
SMILES: CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=S)N[C@H]2C[C@@H]3CC[C@H]2C3
InChI: InChI=1S/C19H27N3OS/c1-12-4-5-13(2)16(8-12)20-18(23)11-22(3)19(24)21-17-10-14-6-7-15(17)9-14/h4-5,8,14-15,17H,6-7,9-11H2,1-3H3,(H,20,23)(H,21,24)/t14-,15+,17+/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(=C4)CNC(=O)CCC(=O)O)CSC5=NN=NN5C6=CC=C(C=C6)O
InChI: InChI=1S/C37H37N5O7S/c1-23-32(22-50-37-39-40-41-42(37)30-13-15-31(44)16-14-30)48-36(49-35(23)27-7-5-24(21-43)6-8-27)28-11-9-26(10-12-28)29-4-2-3-25(19-29)20-38-33(45)17-18-34(46)47/h2-16,19,23,32,35-36,43-44H,17-18,20-22H2,1H3,(H,38,45)(H,46,47)/t23-,32+,35+,36+/m0/s1
SMILES: CN1C[C@@H](C[C@@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN5CC(=O)N(C(=O)C5)C
InChI: InChI=1S/C21H26N4O2/c1-23-9-13(10-25-11-19(26)24(2)20(27)12-25)6-16-15-4-3-5-17-21(15)14(8-22-17)7-18(16)23/h3-5,8,13,16,18,22H,6-7,9-12H2,1-2H3/t13-,16+,18-/m1/s1
SMILES: CNC1=C2C(=NC=N1)N(C(=N2)NC3CCCC3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C16H24N6O4/c1-17-13-10-14(19-7-18-13)22(15-12(25)11(24)9(6-23)26-15)16(21-10)20-8-4-2-3-5-8/h7-9,11-12,15,23-25H,2-6H2,1H3,(H,20,21)(H,17,18,19)/t9-,11-,12-,15-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC/C=C\C2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H28O10/c1-14(24)29-13-19-20(30-15(2)25)21(31-16(3)26)22(32-17(4)27)23(33-19)28-12-8-11-18-9-6-5-7-10-18/h5-11,19-23H,12-13H2,1-4H3/b11-8-/t19-,20+,21+,22-,23+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@](C=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)(CO)O
InChI: InChI=1S/C32H60O4Si2/c1-28(2,3)37(9,10)35-23-15-17-30(7)22(19-23)20-32(34,21-33)27-24-13-14-26(31(24,8)18-16-25(27)30)36-38(11,12)29(4,5)6/h20,23-27,33-34H,13-19,21H2,1-12H3/t23-,24-,25-,26-,27-,30-,31-,32+/m0/s1
SMILES: CC(=NOC[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)O)O)C
InChI: InChI=1S/C12H21NO6/c1-6(2)13-16-5-7(14)9-8(15)10-11(17-9)19-12(3,4)18-10/h7-11,14-15H,5H2,1-4H3/t7-,8+,9-,10-,11-/m1/s1
SMILES: CCCC(CCCC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)(F)F
InChI: InChI=1S/C21H36F2O4/c1-3-13-21(22,23)14-9-8-11-17-16(18(24)15-19(17)25)10-6-4-5-7-12-20(26)27-2/h16-17,19,25H,3-15H2,1-2H3/t16-,17-,19-/m1/s1
SMILES: C[C@H]1[C@@H](CCC2=CC(=O)[C@@H](C[C@]12C)[C@]3(CO3)C)O
InChI: InChI=1S/C15H22O3/c1-9-12(16)5-4-10-6-13(17)11(7-14(9,10)2)15(3)8-18-15/h6,9,11-12,16H,4-5,7-8H2,1-3H3/t9-,11+,12+,14+,15+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)N)N=CC2=C(N(C(=O)NC2=O)CC3=CC=C(C=C3)F)O
InChI: InChI=1S/C18H21FN4O3/c19-12-7-5-11(6-8-12)10-23-17(25)13(16(24)22-18(23)26)9-21-15-4-2-1-3-14(15)20/h5-9,14-15,25H,1-4,10,20H2,(H,22,24,26)/t14-,15-/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=CC=CC=N4)C)(C)O
InChI: InChI=1S/C40H65N3O9/c1-11-32-40(8,47)36-29(6)43(19-14-17-30-16-12-13-18-41-30)24-25(2)23-39(7,49-21-15-20-48-36)35(27(4)33(44)28(5)37(46)51-32)52-38-34(45)31(42(9)10)22-26(3)50-38/h12-18,20,25-29,31-36,38,44-45,47H,11,19,21-24H2,1-10H3/b17-14+,20-15+/t25-,26-,27+,28?,29-,31+,32-,33?,34-,35-,36-,38+,39-,40-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC(=C4)NC(=O)C5=CC=CS5
InChI: InChI=1S/C20H16N2O3S/c23-18(15-5-2-8-26-15)21-13-3-1-4-14(10-13)22-19(24)16-11-6-7-12(9-11)17(16)20(22)25/h1-8,10-12,16-17H,9H2,(H,21,23)/t11-,12+,16-,17-/m0/s1
SMILES: CC1=C2[C@H](C=CO2)[C@H]3[C@H]4C[C@@H]([C@H]3S1)C=C4
InChI: InChI=1S/C13H14OS/c1-7-12-10(4-5-14-12)11-8-2-3-9(6-8)13(11)15-7/h2-5,8-11,13H,6H2,1H3/t8-,9+,10-,11-,13-/m1/s1
SMILES: CC1(CCCNC1C2=C(C(=C(C=C2)O)C(=O)C3=CC=C(C=C3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)C5=CC=NC=C5)F)C.Cl.Cl.Cl
InChI: InChI=1S/C33H38FN5O4.3ClH/c1-33(2)14-4-16-37-30(33)23-10-11-26(40)27(28(23)34)29(41)20-6-8-21(9-7-20)31(42)38-24-5-3-15-36-19-25(24)39-32(43)22-12-17-35-18-13-22;;;/h6-13,17-18,24-25,30,36-37,40H,3-5,14-16,19H2,1-2H3,(H,38,42)(H,39,43);3*1H/t24-,25-,30?;;;/m1.../s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CN)CN5CCC(CC5)N6C7=CC=CC=C7NC6=O
InChI: InChI=1S/C38H42N4O4/c1-25-35(23-41-18-16-32(17-19-41)42-34-11-3-2-10-33(34)40-38(42)44)45-37(46-36(25)28-14-12-26(24-43)13-15-28)31-9-5-8-30(21-31)29-7-4-6-27(20-29)22-39/h2-15,20-21,25,32,35-37,43H,16-19,22-24,39H2,1H3,(H,40,44)/t25-,35+,36+,37+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)C(=O)O)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C19H16ClNO2/c20-13-4-1-3-11(9-13)18-15-6-2-5-14(15)16-10-12(19(22)23)7-8-17(16)21-18/h1-5,7-10,14-15,18,21H,6H2,(H,22,23)/t14-,15+,18+/m0/s1
SMILES: CC1(O[C@H]([C@H](O1)[C@H](CO)OCC2=CC=CC=C2)[C@@H](CC(=O)O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C24H30O7/c1-24(2)30-22(19(13-21(26)27)28-15-17-9-5-3-6-10-17)23(31-24)20(14-25)29-16-18-11-7-4-8-12-18/h3-12,19-20,22-23,25H,13-16H2,1-2H3,(H,26,27)/t19-,20+,22+,23-/m1/s1
SMILES: CC1=CC2=C(C=C1C)NC3=CC(CC(=O)[C@@H]3[C@H](N2)C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6)(C)C
InChI: InChI=1S/C32H33N3O/c1-20-14-25-26(15-21(20)2)34-31(30-27(33-25)16-32(3,4)17-29(30)36)24-19-35(18-22-10-6-5-7-11-22)28-13-9-8-12-23(24)28/h5-16,19,30-31,33-34H,17-18H2,1-4H3/t30-,31-/m1/s1
SMILES: CC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C[C@](O1)(C(=O)OC)Cl)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H27ClO13/c1-9(22)29-8-15(31-11(3)24)17(33-13(5)26)18-16(32-12(4)25)14(30-10(2)23)7-20(21,34-18)19(27)28-6/h14-18H,7-8H2,1-6H3/t14-,15+,16+,17+,18+,20-/m0/s1
SMILES: COC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
InChI: InChI=1S/C11H18N5O14P3/c1-26-9-5-8(14-11(12)15-9)16(3-13-5)10-7(18)6(17)4(28-10)2-27-32(22,23)30-33(24,25)29-31(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
SMILES: C1C[C@H]2C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C23H18N2O4/c26-20-16-3-1-2-4-17(16)21(27)24(20)14-7-9-15(10-8-14)25-22(28)18-12-5-6-13(11-12)19(18)23(25)29/h1-4,7-10,12-13,18-19H,5-6,11H2/t12-,13-,18-,19-/m0/s1
SMILES: COC(=O)[C@@H]1C(C(=C([C@]1(C2=CC=CC=C2)O)C(SC)SC)C#N)C3=CC=CC=C3
InChI: InChI=1S/C23H23NO3S2/c1-27-21(25)20-18(15-10-6-4-7-11-15)17(14-24)19(22(28-2)29-3)23(20,26)16-12-8-5-9-13-16/h4-13,18,20,22,26H,1-3H3/t18?,20-,23-/m0/s1
SMILES: CC(C)OC1=C(C=CC(=C1)C(C)(C)C)C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C33H36Cl2N4O3/c1-20(2)42-27-18-23(33(3,4)5)10-15-26(27)31-37-29(21-6-11-24(34)12-7-21)30(22-8-13-25(35)14-9-22)39(31)32(41)38-17-16-36-28(40)19-38/h6-15,18,20,29-30H,16-17,19H2,1-5H3,(H,36,40)/t29-,30+/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)N(CC5=CC6=C(C=C5)OCO6)C(=O)CCCCCCCCCCC)OCC=C
InChI: InChI=1S/C62H95N3O10/c1-5-9-11-13-15-17-19-21-23-27-37-63-61(69)74-49-34-36-54-52(43-49)59-50(31-26-29-39-67)48(30-25-28-38-66)42-51-53(64-73-8-4)44-57(62(75-54,60(51)59)72-40-7-3)65(45-47-33-35-55-56(41-47)71-46-70-55)58(68)32-24-22-20-18-16-14-12-10-6-2/h7,33-36,41-43,48,50,57,59-60,66-67H,3,5-6,8-32,37-40,44-46H2,1-2,4H3,(H,63,69)/t48-,50+,57-,59+,60+,62+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=C3C[C@H]([C@]4(C=C(C(=O)O4)C)C5=C3C2=CC=C5)N
InChI: InChI=1S/C22H20N2O4S/c1-13-6-8-16(9-7-13)29(26,27)24-12-15-10-19(23)22(11-14(2)21(25)28-22)17-4-3-5-18(24)20(15)17/h3-9,11-12,19H,10,23H2,1-2H3/t19-,22+/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C4C(=CC(=C3O2)OC)C(=O)C5=CC=CC=C5O4)CO)O
InChI: InChI=1S/C24H20O8/c1-28-17-9-12(7-8-15(17)26)21-19(11-25)31-24-22-14(10-18(29-2)23(24)32-21)20(27)13-5-3-4-6-16(13)30-22/h3-10,19,21,25-26H,11H2,1-2H3/t19-,21-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CCC34OC=O
InChI: InChI=1S/C19H24O4/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)23-11-20/h10-11,14-16H,2-9H2,1H3/t14-,15-,16-,18-,19?/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)O[C@@H]2[C@@H](OCCO2)OC3=CC=C(C=C3)C(=O)C
InChI: InChI=1S/C20H20O6/c1-13(21)15-3-7-17(8-4-15)25-19-20(24-12-11-23-19)26-18-9-5-16(6-10-18)14(2)22/h3-10,19-20H,11-12H2,1-2H3/t19-,20+
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)NC2CCCC2)C(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C21H29FN2O2/c1-2-15-14-24(21(26)16-7-9-18(22)10-8-16)12-11-17(15)13-20(25)23-19-5-3-4-6-19/h7-10,15,17,19H,2-6,11-14H2,1H3,(H,23,25)/t15-,17-/m0/s1
SMILES: C1[C@@H]([C@@]2(COC[C@]1(O2)N3C=CC(=O)NC3=O)COC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C25H24N2O7/c28-21-11-12-27(23(30)26-21)25-13-20(32-14-18-7-3-1-4-8-18)24(34-25,15-31-17-25)16-33-22(29)19-9-5-2-6-10-19/h1-12,20H,13-17H2,(H,26,28,30)/t20-,24+,25-/m0/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@@H]5[C@H]([C@H]4C6=C(C=CC(=C6)Br)O)C(=O)N(C5=O)C7CCCCC7
InChI: InChI=1S/C32H37BrN2O5/c33-17-11-14-25(36)23(15-17)26-20-12-13-21-27(31(39)34(29(21)37)18-7-3-1-4-8-18)22(20)16-24-28(26)32(40)35(30(24)38)19-9-5-2-6-10-19/h11-12,14-15,18-19,21-22,24,26-28,36H,1-10,13,16H2/t21-,22+,24+,26+,27-,28+/m0/s1
SMILES: CC1(CC(=O)[C@@H]2[C@H](C3=CC4=C(C=C3NC2=C1)OCCO4)C5=CC=C(C=C5)SC)C
InChI: InChI=1S/C24H25NO3S/c1-24(2)12-18-23(19(26)13-24)22(14-4-6-15(29-3)7-5-14)16-10-20-21(11-17(16)25-18)28-9-8-27-20/h4-7,10-12,22-23,25H,8-9,13H2,1-3H3/t22-,23+/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(CC[C@@H]4[C@@](C)(CCCC(C)(C)O)O)C)O)C)(C)C)O
InChI: InChI=1S/C30H54O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-34H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC(=C[C@@H]2[C@H]1OC3(O2)CCCCC3)C(=O)OC
InChI: InChI=1S/C20H34O5Si/c1-19(2,3)26(5,6)25-16-13-14(18(21)22-4)12-15-17(16)24-20(23-15)10-8-7-9-11-20/h12,15-17H,7-11,13H2,1-6H3/t15-,16-,17-/m1/s1
SMILES: C[C@H]1[C@H]2C=C[C@H](N2C(=O)OC(C)(C)C)[C@H](C1=O)C3=CC=CC=C3
InChI: InChI=1S/C19H23NO3/c1-12-14-10-11-15(20(14)18(22)23-19(2,3)4)16(17(12)21)13-8-6-5-7-9-13/h5-12,14-16H,1-4H3/t12-,14+,15-,16+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)OCC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C22H23NO4/c24-20(27-14-16-8-5-7-15-6-1-2-9-17(15)16)12-13-23-21(25)18-10-3-4-11-19(18)22(23)26/h1-2,5-9,18-19H,3-4,10-14H2/t18-,19-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@@H](CC[C@@H]3O)O
InChI: InChI=1S/C15H22O3/c1-15-7-6-10(16)8-9(15)2-3-11-12(17)4-5-13(18)14(11)15/h8,11-14,17-18H,2-7H2,1H3/t11-,12-,13+,14+,15-/m0/s1
SMILES: C[C@]12CC[C@@](C[C@H]1C3(CC=C4C(=CCC5[C@@]4(CCC(C5(C)C)OC(=O)C6=CC=CC=C6)C)[C@]3(CC2)C)C)(C)CO
InChI: InChI=1S/C37H52O3/c1-32(2)28-14-13-27-26(35(28,5)17-16-30(32)40-31(39)25-11-9-8-10-12-25)15-18-37(7)29-23-33(3,24-38)19-20-34(29,4)21-22-36(27,37)6/h8-13,15,28-30,38H,14,16-24H2,1-7H3/t28?,29-,30?,33-,34-,35-,36-,37?/m1/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=CC(=C2OC)[C@@H]1OC)OC)/C)C)OCC3=CC=C(C=C3)OC)\C)C)OC)OC
InChI: InChI=1S/C39H55NO8/c1-24-13-12-14-25(2)39(41)40-33-22-31(43-7)21-32(38(33)47-11)36(45-9)28(5)20-34(44-8)37(46-10)27(4)19-26(3)35(24)48-23-29-15-17-30(42-6)18-16-29/h12-19,21-22,24,27-28,34-37H,20,23H2,1-11H3,(H,40,41)/b13-12-,25-14+,26-19+/t24-,27-,28-,34-,35+,36+,37+/m0/s1
SMILES: COC(=O)[C@@H]1[C@H]2CCC(N2CCCN(CC[S-])CC(=NCC[S-])[O-])C[C@@H]1C3=CC4=CC=CC=C4C=C3.[O-2].[Re]
InChI: InChI=1S/C28H39N3O3S2.O.Re/c1-34-28(33)27-24(22-8-7-20-5-2-3-6-21(20)17-22)18-23-9-10-25(27)31(23)13-4-12-30(14-16-36)19-26(32)29-11-15-35;;/h2-3,5-8,17,23-25,27,35-36H,4,9-16,18-19H2,1H3,(H,29,32);;/q;-2;/p-3/t23?,24-,25-,27+;;/m1../s1
SMILES: CC(C)(C)CC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@H]2S1)C3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C19H27N3O3S2/c1-19(2,3)10-17(23)20-18-22(14-8-6-13(7-9-14)21(4)5)15-11-27(24,25)12-16(15)26-18/h6-9,15-16H,10-12H2,1-5H3/t15-,16+/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O
InChI: InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14+/m1/s1
SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)[C@H]2[C@@H]3[C@H]([C@H]4N2N=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5
InChI: InChI=1S/C24H19N3O5/c1-14(28)32-17-11-9-15(10-12-17)22(29)21-20-19(18-8-5-13-25-27(18)21)23(30)26(24(20)31)16-6-3-2-4-7-16/h2-13,18-21H,1H3/t18-,19-,20-,21+/m0/s1
SMILES: CC1=CC=CC=C1O[C@@H]2[C@H](N(C2=O)CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F
InChI: InChI=1S/C24H20FNO4/c1-15-4-2-3-5-19(15)30-23-22(17-7-9-18(25)10-8-17)26(24(23)27)13-16-6-11-20-21(12-16)29-14-28-20/h2-12,22-23H,13-14H2,1H3/t22-,23-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)[C@@H](COCC3=CC=CC=C3)O)O)C
InChI: InChI=1S/C16H22O6/c1-16(2)21-14-12(18)13(20-15(14)22-16)11(17)9-19-8-10-6-4-3-5-7-10/h3-7,11-15,17-18H,8-9H2,1-2H3/t11-,12-,13-,14-,15-/m1/s1
SMILES: C[C@]12[C@@H]([C@H](C3=CC=CC=C3O1)N4C(=O)CSC4=N2)C(=O)OC
InChI: InChI=1S/C15H14N2O4S/c1-15-11(13(19)20-2)12(8-5-3-4-6-9(8)21-15)17-10(18)7-22-14(17)16-15/h3-6,11-12H,7H2,1-2H3/t11-,12-,15+/m0/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC(=C(C=C3)Cl)Cl)CCC(=O)N4CC[C@@]5(CCCC[C@@H]5C4)O
InChI: InChI=1S/C29H31Cl2NO5/c1-18-22-7-6-21(36-17-19-5-9-24(30)25(31)14-19)15-26(22)37-28(34)23(18)8-10-27(33)32-13-12-29(35)11-3-2-4-20(29)16-32/h5-7,9,14-15,20,35H,2-4,8,10-13,16-17H2,1H3/t20-,29-/m1/s1
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C17H24N2O4S2/c20-24(21,18-17-12-13-3-4-14(17)11-13)15-5-7-16(8-6-15)25(22,23)19-9-1-2-10-19/h5-8,13-14,17-18H,1-4,9-12H2/t13-,14+,17-/m0/s1
SMILES: CC(=O)O[C@H]1C2=C(CC(CC2)CCCO)C(=O)C(=C3[C@]14C[C@@H]([C@@H](C3(C)C)O4)O)OC
InChI: InChI=1S/C23H32O7/c1-12(25)29-20-14-8-7-13(6-5-9-24)10-15(14)17(27)18(28-4)19-22(2,3)21-16(26)11-23(19,20)30-21/h13,16,20-21,24,26H,5-11H2,1-4H3/t13?,16-,20-,21-,23+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3[C@H](C(=O)C=C3C2)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H27NO9S/c1-13-5-7-18(8-6-13)34(29,30)24-10-17-9-20(28)22(19(17)11-24)23(33-16(4)27)21(32-15(3)26)12-31-14(2)25/h5-9,19,21-23H,10-12H2,1-4H3/t19-,21+,22+,23+/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8O6
InChI: InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24-,25-,26+/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)/C(=N\OCC4=C(C=C(C=C4)OC)OC)/C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)SCC9=CC=CC=N9
InChI: InChI=1S/C54H48N6O8S3/c1-64-41-25-22-35(23-26-41)30-67-52(63)48-45(69-32-40-21-13-14-28-55-40)34-70-51-47(50(62)60(48)51)57-49(61)46(59-68-31-36-24-27-42(65-2)29-44(36)66-3)43-33-71-53(56-43)58-54(37-15-7-4-8-16-37,38-17-9-5-10-18-38)39-19-11-6-12-20-39/h4-29,33,47,51H,30-32,34H2,1-3H3,(H,56,58)(H,57,61)/b59-46-/t47-,51-/m1/s1
SMILES: C1CN(CCC1(CC2=CC=CC=C2)O)C[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CC(=O)N[C@@H](CCC(=O)O)C(=O)O)O)O)O
InChI: InChI=1S/C25H36N2O10/c28-19(26-16(24(34)35)6-7-20(29)30)12-17-21(31)23(33)22(32)18(37-17)14-27-10-8-25(36,9-11-27)13-15-4-2-1-3-5-15/h1-5,16-18,21-23,31-33,36H,6-14H2,(H,26,28)(H,29,30)(H,34,35)/t16-,17-,18+,21+,22+,23+/m0/s1
SMILES: C[C@H]1[C@H](OC(=O)N1C(=O)[C@@H](CC2=CC=CC=C2)[C@@H](C3=CC(=C(O3)CCCOCCOCCO)Br)OC(=O)C)C4=CC=CC=C4
InChI: InChI=1S/C33H38BrNO9/c1-22-30(25-12-7-4-8-13-25)44-33(39)35(22)32(38)26(20-24-10-5-3-6-11-24)31(42-23(2)37)29-21-27(34)28(43-29)14-9-16-40-18-19-41-17-15-36/h3-8,10-13,21-22,26,30-31,36H,9,14-20H2,1-2H3/t22-,26-,30-,31-/m0/s1
SMILES: C[C@H]1CC2=C([C@H](C(=C(N2)C)C(=O)OC3CCCCC3)C4=CC=C(C=C4)Cl)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C26H30ClNO5/c1-14-13-19-23(24(29)20(14)25(30)32-3)22(16-9-11-17(27)12-10-16)21(15(2)28-19)26(31)33-18-7-5-4-6-8-18/h9-12,14,18,20,22,28H,4-8,13H2,1-3H3/t14-,20-,22-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Cl)NC=O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H18ClNO8/c1-6(17)20-4-9-11(21-7(2)18)12(22-8(3)19)10(15-5-16)13(14)23-9/h5,9-13H,4H2,1-3H3,(H,15,16)/t9-,10-,11-,12-,13+/m1/s1
SMILES: C1CC[C@@]2(CCN([C@H]([C@@H]2C1)C3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)Cl)O
InChI: InChI=1S/C23H26ClFN2O2/c24-17-6-10-19(11-7-17)26-21(28)15-27-14-13-23(29)12-2-1-3-20(23)22(27)16-4-8-18(25)9-5-16/h4-11,20,22,29H,1-3,12-15H2,(H,26,28)/t20-,22-,23-/m0/s1
SMILES: CCSC1([C@@]2(C=C(N[C@@H]([C@@]2(C(=N1)N)C#N)C3=CC=CC=C3)C)C#N)SCC
InChI: InChI=1S/C20H23N5S2/c1-4-26-20(27-5-2)18(12-21)11-14(3)24-16(15-9-7-6-8-10-15)19(18,13-22)17(23)25-20/h6-11,16,24H,4-5H2,1-3H3,(H2,23,25)/t16-,18+,19-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C
InChI: InChI=1S/C18H29N3O3S/c1-13-7-5-10-17(14(13)2)19-12-18(22)20-15-8-6-9-16(11-15)25(23,24)21(3)4/h6,8-9,11,13-14,17,19H,5,7,10,12H2,1-4H3,(H,20,22)/t13-,14+,17-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O.CC(=O)/C=C/C1=CC=C(O1)C#CCCCCCCCCC(=O)OC
InChI: InChI=1S/C27H29NO10.C20H26O4/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;1-17(21)13-14-19-16-15-18(24-19)11-9-7-5-3-4-6-8-10-12-20(22)23-2/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;13-16H,3-8,10,12H2,1-2H3/b;14-13+/t10-,14-,16-,17-,22+,27-;/m0./s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O)OCC4=CC=CC=C4
InChI: InChI=1S/C21H24O6/c1-23-21-19(24-12-14-8-4-2-5-9-14)17(22)18-16(26-21)13-25-20(27-18)15-10-6-3-7-11-15/h2-11,16-22H,12-13H2,1H3/t16-,17+,18-,19-,20?,21-/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C(=CC(=C5)Br)OC)O)Cl)C6=CC=C(C=C6)F)Cl
InChI: InChI=1S/C30H26BrCl2FN2O6/c1-3-10-35-25(38)18-9-8-17-20(22(18)26(35)39)13-29(32)27(40)36(16-6-4-15(34)5-7-16)28(41)30(29,33)23(17)19-11-14(31)12-21(42-2)24(19)37/h4-8,11-12,18,20,22-23,37H,3,9-10,13H2,1-2H3/t18-,20+,22-,23+,29+,30-/m0/s1
SMILES: C1=CC=C(C(=C1)C(=O)NN[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C12H16N2O6/c15-5-8-9(17)10(18)12(20-8)14-13-11(19)6-3-1-2-4-7(6)16/h1-4,8-10,12,14-18H,5H2,(H,13,19)/t8-,9+,10-,12-/m0/s1
SMILES: CC1=C2[C@H]([C@H]([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@H](C=C(C)C)NC(=O)OC(C)(C)C)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)O
InChI: InChI=1S/C41H57NO14/c1-20(2)16-24(42-36(50)56-37(5,6)7)29(45)35(49)53-25-18-41(51)33(54-34(48)23-14-12-11-13-15-23)31-39(10,32(47)30(46)28(21(25)3)38(41,8)9)26(44)17-27-40(31,19-52-27)55-22(4)43/h11-16,24-27,29-33,44-47,51H,17-19H2,1-10H3,(H,42,50)/t24-,25-,26-,27+,29+,30+,31-,32+,33-,39+,40-,41+/m0/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4
InChI: InChI=1S/C20H23NO4/c22-19(21-11-3-5-14-4-1-2-6-17(14)21)13-24-16-9-7-15-8-10-20(23)25-18(15)12-16/h7-10,12,14,17H,1-6,11,13H2/t14-,17-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C[C@@H]2CC(C[C@@H]2C[Se]C3=CC=CC=C3)(C(=O)C)C(=O)C
InChI: InChI=1S/C24H28O4SSe/c1-17-9-11-22(12-10-17)29(27,28)15-20-13-24(18(2)25,19(3)26)14-21(20)16-30-23-7-5-4-6-8-23/h4-12,20-21H,13-16H2,1-3H3/t20-,21+/m0/s1
SMILES: CNC1=NNC2=C1C=C(C=C2)CN3[C@@H]([C@@H]([C@H]([C@H](N(C3=O)CC4=CC5=C(C=C4)NN=C5NC)CC6=CC=CC=C6)O)O)CC7=CC=CC=C7
InChI: InChI=1S/C37H40N8O3/c1-38-35-27-17-25(13-15-29(27)40-42-35)21-44-31(19-23-9-5-3-6-10-23)33(46)34(47)32(20-24-11-7-4-8-12-24)45(37(44)48)22-26-14-16-30-28(18-26)36(39-2)43-41-30/h3-18,31-34,46-47H,19-22H2,1-2H3,(H2,38,40,42)(H2,39,41,43)/t31-,32-,33+,34+/m1/s1
SMILES: C1[C@@H]2[C@H]([C@H]3[C@H](O3)[C@H](O1)O2)OCC4=CC=CC=C4
InChI: InChI=1S/C13H14O4/c1-2-4-8(5-3-1)6-14-10-9-7-15-13(16-9)12-11(10)17-12/h1-5,9-13H,6-7H2/t9-,10-,11+,12+,13-/m1/s1
SMILES: CC.C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2C3=CC=CC4=CC=CC=C43)OC(=O)C5C(N(C5=O)C6=CC=C(C=C6)OC)CC7=CC8=C(C=C7)OCO8
InChI: InChI=1S/C39H39NO6.C2H6/c1-38(2)29-18-19-39(38,3)34(28-11-7-9-24-8-5-6-10-27(24)28)35(29)46-37(42)33-30(20-23-12-17-31-32(21-23)45-22-44-31)40(36(33)41)25-13-15-26(43-4)16-14-25;1-2/h5-17,21,29-30,33-35H,18-20,22H2,1-4H3;1-2H3/t29-,30?,33?,34-,35-,39+;/m1./s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C
InChI: InChI=1S/C22H35N3O3S/c1-16-9-10-20(15-18(16)3)29(27,28)25-13-11-24(12-14-25)19(4)22(26)23-21-8-6-5-7-17(21)2/h9-10,15,17,19,21H,5-8,11-14H2,1-4H3,(H,23,26)/p+1/t17-,19-,21+/m0/s1
SMILES: COC1=CC[C@]23CCN[C@@]2(C1=O)C[C@@H](C4=C3C(=C(C=C4)OC)O)O
InChI: InChI=1S/C18H21NO5/c1-23-12-4-3-10-11(20)9-18-16(22)13(24-2)5-6-17(18,7-8-19-18)14(10)15(12)21/h3-5,11,19-21H,6-9H2,1-2H3/t11-,17+,18+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C
InChI: InChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN4CC[C@@H](C4)O
InChI: InChI=1S/C29H39N3O7/c1-3-37-26(35)15-31-29(36)30-14-20-4-10-23(11-5-20)28-38-25(17-32-13-12-24(34)16-32)19(2)27(39-28)22-8-6-21(18-33)7-9-22/h4-11,19,24-25,27-28,33-34H,3,12-18H2,1-2H3,(H2,30,31,36)/t19-,24+,25+,27+,28+/m1/s1
SMILES: CC1=CC[C@@H]([C@@H]2[C@H]1[C@H]3CC(=O)[C@H]([C@@H]2O3)CCCO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)C(C)C
InChI: InChI=1S/C34H46O3Si/c1-23(2)27-20-19-24(3)31-30-22-29(35)28(33(37-30)32(27)31)18-13-21-36-38(34(4,5)6,25-14-9-7-10-15-25)26-16-11-8-12-17-26/h7-12,14-17,19,23,27-28,30-33H,13,18,20-22H2,1-6H3/t27-,28-,30-,31-,32-,33+/m1/s1
SMILES: C[C@@H]1[C@H]([C@]2(C1C(=O)C=C(C2=O)OC)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C18H20O4/c1-10-15(11-5-7-12(21-3)8-6-11)18(2)16(10)13(19)9-14(22-4)17(18)20/h5-10,15-16H,1-4H3/t10-,15+,16?,18+/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2C3=C(C[C@H](O2)CCl)C(=O)C4=CC=CC=C4C3=O)NC(=O)C(F)(F)F)O
InChI: InChI=1S/C22H21ClF3NO7/c1-9-17(28)14(27-21(31)22(24,25)26)7-15(32-9)34-20-16-13(6-10(8-23)33-20)18(29)11-4-2-3-5-12(11)19(16)30/h2-5,9-10,14-15,17,20,28H,6-8H2,1H3,(H,27,31)/t9-,10-,14-,15-,17+,20+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)O
InChI: InChI=1S/C24H25N2O9P/c1-15-13-26(24(30)25-23(15)29)20-12-18(27)19(34-20)14-33-36(31,32)35-22(17-10-6-3-7-11-17)21(28)16-8-4-2-5-9-16/h2-11,13,18-20,22,27H,12,14H2,1H3,(H,31,32)(H,25,29,30)/t18-,19+,20+,22?/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C[C@@H]([C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)CO)O)O)O)CO
InChI: InChI=1S/C28H39NO8/c30-13-19-11-21(25(34)26(35)23(19)32)29-22-12-20(14-31)24(33)28(37-16-18-9-5-2-6-10-18)27(22)36-15-17-7-3-1-4-8-17/h1-10,19-35H,11-16H2/t19-,20-,21+,22+,23-,24-,25+,26+,27+,28+/m1/s1
SMILES: CC(=CCC[C@@]1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@@]45C6C[C@@H](C(C4C3=O)N7CCCCC7)C(=O)[C@@]5(OC6(C)C)C/C=C/C(=O)N8CCCCC8)O)C)C
InChI: InChI=1S/C47H62N2O7/c1-29(2)16-14-21-45(7)23-20-31-39(51)36-40(52)37-38(49-26-12-9-13-27-49)33-28-34-44(5,6)56-46(43(33)53,22-15-17-35(50)48-24-10-8-11-25-48)47(34,37)55-42(36)32(41(31)54-45)19-18-30(3)4/h15-18,20,23,33-34,37-38,51H,8-14,19,21-22,24-28H2,1-7H3/b17-15+/t33-,34?,37?,38?,45+,46-,47-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@H]4CC[C@H](CC4=CC[C@H]3[C@@H]1CC[C@H]2O)O
InChI: InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,12-17,19-20H,3-10H2,1H3/t12-,13+,14-,15-,16+,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)OCC=C)CN(C)CC=C
InChI: InChI=1S/C34H40N2O5/c1-5-19-36(4)22-31-24(3)32(27-13-11-25(23-37)12-14-27)41-33(40-31)28-17-15-26(16-18-28)30-10-8-7-9-29(30)21-35-34(38)39-20-6-2/h5-18,24,31-33,37H,1-2,19-23H2,3-4H3,(H,35,38)/t24-,31+,32+,33+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@]([C@H]([C@@H]2C3=CC=C(C=C3)C)C(=O)C4=CC=CC=C4)(C5=CC=CC=C5)O
InChI: InChI=1S/C32H30O2/c1-22-13-17-24(18-14-22)28-21-32(34,27-11-7-4-8-12-27)30(31(33)26-9-5-3-6-10-26)29(28)25-19-15-23(2)16-20-25/h3-20,28-30,34H,21H2,1-2H3/t28-,29-,30-,32+/m1/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O1)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C27H28O5/c1-4-10-20(11-5-1)16-28-24-23-19-31-27(32-23)26(30-18-22-14-8-3-9-15-22)25(24)29-17-21-12-6-2-7-13-21/h1-15,23-27H,16-19H2/t23-,24-,25+,26+,27-/m1/s1