EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C\2/CC[C@H]3CCCC[C@H]3C2
InChI: InChI=1S/C19H25N3O2/c1-13-6-9-16(10-7-13)20-18(23)19(24)22-21-17-11-8-14-4-2-3-5-15(14)12-17/h6-7,9-10,14-15H,2-5,8,11-12H2,1H3,(H,20,23)(H,22,24)/b21-17-/t14-,15+/m1/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)I)O
InChI: InChI=1S/C30H24BrCl2IN2O5/c1-2-4-15-5-3-6-20(24(15)37)23-18-11-12-19-22(26(39)36(25(19)38)17-9-7-16(34)8-10-17)21(18)13-29(32)27(40)35(14-31)28(41)30(23,29)33/h2-3,5-11,19,21-23,37H,1,4,12-14H2/t19-,21+,22-,23+,29+,30-/m0/s1
SMILES: C[C@@]1(CC(=O)[C@H]([C@H]([C@H]1C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)OC)C(=O)NC4=CC=CC=C4)O
InChI: InChI=1S/C28H28N2O5/c1-28(34)17-22(31)24(26(32)29-19-9-5-3-6-10-19)23(18-13-15-21(35-2)16-14-18)25(28)27(33)30-20-11-7-4-8-12-20/h3-16,23-25,34H,17H2,1-2H3,(H,29,32)(H,30,33)/t23-,24-,25+,28+/m1/s1
SMILES: CCCCCCCCCCCCCC[C@@H]1[C@@H](OC(O1)(C)C)[C@@H](C2=[N+](C=CS2)C)OCC3=CC=C(C=C3)OC
InChI: InChI=1S/C32H52NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-28-29(37-32(2,3)36-28)30(31-33(4)23-24-38-31)35-25-26-19-21-27(34-5)22-20-26/h19-24,28-30H,6-18,25H2,1-5H3/q+1/t28-,29-,30+/m1/s1
SMILES: CC1=CC23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)C(=C)[C@@H]2CCC1C3O)O)O
InChI: InChI=1S/C20H30O4/c1-10-8-19-9-16(22)20(24)14(7-15(21)18(20,3)4)11(2)13(19)6-5-12(10)17(19)23/h8,12-17,21-24H,2,5-7,9H2,1,3-4H3/t12?,13-,14-,15-,16+,17?,19?,20-/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=O)NC3=CC=CC(=C3)C(F)(F)F)[NH3+]
InChI: InChI=1S/C14H15F3N2O4/c15-14(16,17)7-2-1-3-8(4-7)19-13(20)23-10-6-22-11-9(18)5-21-12(10)11/h1-4,9-12H,5-6,18H2,(H,19,20)/p+1/t9-,10+,11+,12+/m0/s1
SMILES: C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)C[N+]4=C(CCC[C@H]34)C5=CC=CC=C5
InChI: InChI=1S/C21H29N2/c1-2-7-16(8-3-1)20-10-6-11-21-17-13-18(15-23(20)21)19-9-4-5-12-22(19)14-17/h1-3,7-8,17-19,21H,4-6,9-15H2/q+1/t17-,18-,19-,21+/m0/s1
SMILES: CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC(C)(C)C)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(C)C(=O)OCCC=C)OCC=C)C
InChI: InChI=1S/C45H62N2O8/c1-9-11-25-51-43(50)47(8)40-29-38(46-55-44(5,6)7)36-27-32(16-12-14-22-48)35(17-13-15-23-49)41-37-28-34(53-33-19-18-30(3)31(4)26-33)20-21-39(37)54-45(40,42(36)41)52-24-10-2/h9-10,18-21,26-28,32,35,40-42,48-49H,1-2,11-17,22-25,29H2,3-8H3/t32-,35+,40-,41+,42+,45+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=CC4=C3N(C(=O)N(C4=O)C)C(C)C)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C31H33N3O7/c1-18(2)34-27-23(28(35)32(5)31(34)38)14-15-33(27)26-16-24(41-30(37)22-12-8-20(4)9-13-22)25(40-26)17-39-29(36)21-10-6-19(3)7-11-21/h6-15,18,24-26H,16-17H2,1-5H3/t24-,25+,26+/m0/s1
SMILES: CC(=N)C(C#N)C(=O)COC(=O)[C@@H]1CCCC[C@H]1C2=NC3=CC=CC=C3S2
InChI: InChI=1S/C20H21N3O3S/c1-12(22)15(10-21)17(24)11-26-20(25)14-7-3-2-6-13(14)19-23-16-8-4-5-9-18(16)27-19/h4-5,8-9,13-15,22H,2-3,6-7,11H2,1H3/t13-,14-,15?/m1/s1
SMILES: CCOC(=O)C(C)[C@H]1[C@H]2[C@@H]([C@H](O1)COCC3=CC=CC=C3)OC(O2)(C)C
InChI: InChI=1S/C20H28O6/c1-5-23-19(21)13(2)16-18-17(25-20(3,4)26-18)15(24-16)12-22-11-14-9-7-6-8-10-14/h6-10,13,15-18H,5,11-12H2,1-4H3/t13?,15-,16+,17-,18+/m1/s1
SMILES: COC(=O)[C@@H]1C[C@@]2(C[C@]1([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C30H32O5/c1-32-27(31)26-17-29(22-33-18-23-11-5-2-6-12-23)21-30(26,35-20-25-15-9-4-10-16-25)28(29)34-19-24-13-7-3-8-14-24/h2-16,26,28H,17-22H2,1H3/t26-,28+,29+,30-/m0/s1
SMILES: CC1[C@H]2[C@@H](C(C=C1C)C3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)C)C(=O)OC2=O
InChI: InChI=1S/C25H23NO5S/c1-14-8-10-17(11-9-14)32(29,30)26-13-20(18-6-4-5-7-21(18)26)19-12-15(2)16(3)22-23(19)25(28)31-24(22)27/h4-13,16,19,22-23H,1-3H3/t16?,19?,22-,23+/m0/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl
InChI: InChI=1S/C28H24ClN5O3/c1-2-36-27(35)34-12-11-20-22(13-30)26(33)28(16-31,17-32)25(23(20)14-34)21-5-3-4-6-24(21)37-15-18-7-9-19(29)10-8-18/h3-11,23,25H,2,12,14-15,33H2,1H3/t23-,25+/m0/s1
SMILES: C[C@@H]1[C@H]2CC[C@@H]3[C@@]2(CCC4=C3C=CC(=C4)OC)CN1C
InChI: InChI=1S/C18H25NO/c1-12-16-6-7-17-15-5-4-14(20-3)10-13(15)8-9-18(16,17)11-19(12)2/h4-5,10,12,16-17H,6-9,11H2,1-3H3/t12-,16-,17+,18+/m1/s1
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)C(=O)[O-])O)O)O
InChI: InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/p-1/t11-,12+,13-,14-,16-/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)N2C(=O)[C@@H]3[C@H](C2=O)NN=C3C(=O)OC)C
InChI: InChI=1S/C16H17N3O4/c1-7-5-8(2)13(9(3)6-7)19-14(20)10-11(15(19)21)17-18-12(10)16(22)23-4/h5-6,10-11,17H,1-4H3/t10-,11-/m1/s1
SMILES: CCC[C@H]1[C@H]([NH2+][C@@H](CC1=O)C2=CC=CO2)C3=CC=CO3
InChI: InChI=1S/C16H19NO3/c1-2-5-11-13(18)10-12(14-6-3-8-19-14)17-16(11)15-7-4-9-20-15/h3-4,6-9,11-12,16-17H,2,5,10H2,1H3/p+1/t11-,12+,16+/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)COC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H24O5/c1-28-19-11-9-15(10-12-19)20(25)14-29-24(27)22-18-8-7-17(13-18)21(22)23(26)16-5-3-2-4-6-16/h2-6,9-12,17-18,21-22H,7-8,13-14H2,1H3/t17-,18+,21-,22+/m0/s1
SMILES: COC(=O)[C@@H]1C[C@H]1[C@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H19NO3/c1-23-19(22)16-12-15(16)17(13-8-4-2-5-9-13)20-18(21)14-10-6-3-7-11-14/h2-11,15-17H,12H2,1H3,(H,20,21)/t15-,16-,17+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3
InChI: InChI=1S/C17H21N5O3S/c1-11-5-2-3-7-13(11)19-16(24)20-14(23)10-26-17-22-21-15(25-17)12-6-4-8-18-9-12/h4,6,8-9,11,13H,2-3,5,7,10H2,1H3,(H2,19,20,23,24)/t11-,13+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N
InChI: InChI=1S/C20H25N3O7S/c21-31(28,29)14-7-5-13(6-8-14)9-10-22-17(24)12-30-18(25)11-23-19(26)15-3-1-2-4-16(15)20(23)27/h5-8,15-16H,1-4,9-12H2,(H,22,24)(H2,21,28,29)/t15-,16-/m0/s1
SMILES: CC(C)C(=C)CCC(C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C
InChI: InChI=1S/C41H60O4/c1-26(2)27(3)10-11-28(4)30-18-20-39(8)34-16-15-33-37(5,6)35(19-21-40(33)25-41(34,40)23-22-38(30,39)7)45-36(43)17-13-29-12-14-31(42)32(24-29)44-9/h12-14,17,24,26,28,30,33-35,42H,3,10-11,15-16,18-23,25H2,1-2,4-9H3/b17-13+/t28?,30-,33+,34-,35+,38-,39+,40-,41+/m1/s1
SMILES: CC[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C(=O)CC)C)C)OC(=O)C
InChI: InChI=1S/C26H40O3/c1-6-17-14-22-20-9-8-18-15-19(29-16(3)27)10-12-25(18,4)21(20)11-13-26(22,5)24(17)23(28)7-2/h8,17,19-22,24H,6-7,9-15H2,1-5H3/t17-,19+,20-,21+,22+,24-,25+,26+/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(=O)(O)OCCC#N
InChI: InChI=1S/C41H41N4O11P/c1-50-32-16-10-28(11-17-32)39(46)43-37-22-24-45(40(47)44-37)38-26-35(56-57(48,49)54-25-7-23-42)36(55-38)27-53-41(29-8-5-4-6-9-29,30-12-18-33(51-2)19-13-30)31-14-20-34(52-3)21-15-31/h4-6,8-22,24,35-36,38H,7,25-27H2,1-3H3,(H,48,49)(H,43,44,46,47)/t35-,36+,38+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2OC(=O)C)COC(=O)C)OCC=C)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H39NO15/c1-9-10-35-26-20(28-13(3)29)23(22(39-16(6)32)19(42-26)11-36-14(4)30)43-27-25(41-18(8)34)24(40-17(7)33)21(12(2)37-27)38-15(5)31/h9,12,19-27H,1,10-11H2,2-8H3,(H,28,29)/t12-,19+,20+,21+,22+,23+,24+,25-,26-,27-/m0/s1
SMILES: [3H]/C(=C\[C@]1([C@](CC(=O)[C@]1([3H])CCCCCCC(=O)O)([3H])O)[3H])/C(=O)CCCCC
InChI: InChI=1S/C20H32O5/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/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,19-/m1/s1/i12T,16T,17T,19T
SMILES: CC(C)C1=CC([C@H]2[C@@H]1C=C[C@@H](C2)OC(=O)CCl)(C(=O)OC)C(=O)OC
InChI: InChI=1S/C18H23ClO6/c1-10(2)13-8-18(16(21)23-3,17(22)24-4)14-7-11(5-6-12(13)14)25-15(20)9-19/h5-6,8,10-12,14H,7,9H2,1-4H3/t11-,12+,14+/m0/s1
SMILES: CC1=CC=C(C=C1)[S@@](=O)CC2=N[C@H]([C@@H](O2)C3=CC=CC=C3)CO[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C27H39NO3SSi/c1-19(2)33(20(3)4,21(5)6)30-17-25-27(23-11-9-8-10-12-23)31-26(28-25)18-32(29)24-15-13-22(7)14-16-24/h8-16,19-21,25,27H,17-18H2,1-7H3/t25-,27-,32-/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@H]4C(=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C2)(CC[C@@H](C3(C)C)O)C
InChI: InChI=1S/C30H50O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-25,31-32H,9-18H2,1-7H3/t20-,21-,22-,23-,24+,25-,28-,29+,30-/m0/s1
SMILES: COC1=C(C=C(C=C1)Cl)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC=C(C=C6)Br
InChI: InChI=1S/C27H17BrClNO6/c1-35-19-11-10-15(29)12-18(19)30-25(33)20-21(26(30)34)27(36-22(20)13-6-8-14(28)9-7-13)23(31)16-4-2-3-5-17(16)24(27)32/h2-12,20-22H,1H3/t20-,21+,22+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[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)Cl
InChI: InChI=1S/C40H32Cl2N2O7/c1-50-31-17-21(18-32(51-2)35(31)45)34-27-15-16-28-33(38(48)43(36(28)46)25-13-11-23(41)12-14-25)29(27)20-30-37(47)44(26-10-6-9-24(42)19-26)39(49)40(30,34)22-7-4-3-5-8-22/h3-15,17-19,28-30,33-34,45H,16,20H2,1-2H3/t28-,29+,30-,33-,34-,40+/m0/s1
SMILES: CC1=C(N=CC=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C
InChI: InChI=1S/C25H20N2O2/c1-14-8-7-13-26-22(14)27-23(28)20-19-15-9-3-5-11-17(15)25(2,21(20)24(27)29)18-12-6-4-10-16(18)19/h3-13,19-21H,1-2H3/t19?,20-,21-,25?/m0/s1
SMILES: CC(=O)O[C@H]1C[C@]2([C@@H]3[C@H](C[C@@H]4C[C@@]3([C@H]([C@@H]([C@@H]2C([C@H]1O)(C)C)OC(=O)C)OC(=O)C)C(=O)C4=C)O)C
InChI: InChI=1S/C26H36O9/c1-11-15-8-16(30)19-25(7)10-17(33-12(2)27)22(32)24(5,6)20(25)18(34-13(3)28)23(35-14(4)29)26(19,9-15)21(11)31/h15-20,22-23,30,32H,1,8-10H2,2-7H3/t15-,16+,17+,18-,19+,20-,22+,23+,25+,26+/m1/s1
SMILES: C1C[C@]2([C@H](O2)C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C41
InChI: InChI=1S/C17H13BrO2/c18-13-7-5-12(6-8-13)16-17(20-16)10-9-11-3-1-2-4-14(11)15(17)19/h1-8,16H,9-10H2/t16-,17-/m1/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@@H]([C@@]2([C@]13C[C@@H](C[C@@H]2OC(=O)/C=C/C4=CC=CC=C4)C(O3)(C)C)C)OC(=O)C5=CC=CC=C5)OC(=O)C)O
InChI: InChI=1S/C33H38O8/c1-20-27(36)28(38-21(2)34)29(40-30(37)23-14-10-7-11-15-23)32(5)25(18-24-19-33(20,32)41-31(24,3)4)39-26(35)17-16-22-12-8-6-9-13-22/h6-17,20,24-25,27-29,36H,18-19H2,1-5H3/b17-16+/t20-,24-,25+,27-,28-,29+,32-,33+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)/C=C/C2=CC=CC=C2C
InChI: InChI=1S/C20H27NO3/c1-14-8-6-10-18(16(14)3)21-19(22)13-24-20(23)12-11-17-9-5-4-7-15(17)2/h4-5,7,9,11-12,14,16,18H,6,8,10,13H2,1-3H3,(H,21,22)/b12-11+/t14-,16+,18-/m1/s1
SMILES: CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)[C@H]4CC[C@H]4C(=O)O
InChI: InChI=1S/C20H23N3O3/c1-13-12-18(16-4-2-3-5-17(16)21-13)22-8-10-23(11-9-22)19(24)14-6-7-15(14)20(25)26/h2-5,12,14-15H,6-11H2,1H3,(H,25,26)/t14-,15+/m0/s1
SMILES: CC(=O)N1C2=CC=CC=C2[C@@]3([C@@H](C1(C)C)C3(Cl)Cl)C
InChI: InChI=1S/C15H17Cl2NO/c1-9(19)18-11-8-6-5-7-10(11)14(4)12(13(18,2)3)15(14,16)17/h5-8,12H,1-4H3/t12-,14-/m1/s1
SMILES: C[C@H]1CC(C[C@@]1(C)CO)(COCC2=CC=CC=C2)COCC3=CC=CC=C3
InChI: InChI=1S/C24H32O3/c1-20-13-24(16-23(20,2)17-25,18-26-14-21-9-5-3-6-10-21)19-27-15-22-11-7-4-8-12-22/h3-12,20,25H,13-19H2,1-2H3/t20-,23-/m0/s1
SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C19H19ClO7/c20-12-5-1-10(2-6-12)15(22)11-3-7-13(8-4-11)26-19-18(25)17(24)16(23)14(9-21)27-19/h1-8,14,16-19,21,23-25H,9H2/t14-,16+,17+,18-,19-/m1/s1
SMILES: CS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)N[C@H]3CCCC[C@@H]3O
InChI: InChI=1S/C21H26N2O4S/c1-28(26,27)23(15-16-7-3-2-4-8-16)18-13-11-17(12-14-18)21(25)22-19-9-5-6-10-20(19)24/h2-4,7-8,11-14,19-20,24H,5-6,9-10,15H2,1H3,(H,22,25)/t19-,20-/m0/s1
SMILES: C1=CC(=CC=C1C#N)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](S2)CO)O)O)O
InChI: InChI=1S/C13H15NO4S2/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@H]2[C@H](COC(O2)(C)C)O[C@H]1OC3=CC=C(C=C3)C(C)(C)C)O
InChI: InChI=1S/C21H31NO6/c1-12(23)22-16-17(24)18-15(11-25-21(5,6)28-18)27-19(16)26-14-9-7-13(8-10-14)20(2,3)4/h7-10,15-19,24H,11H2,1-6H3,(H,22,23)/t15-,16-,17+,18+,19+/m0/s1
SMILES: CCC(=O)N(CC1=COC=C1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C25H30N2O8/c1-3-20(30)27(11-14-4-7-34-13-14)18-10-17(25(32)26-5-6-28)21-16-8-15(12-29)9-19(33-2)23(16)35-24(21)22(18)31/h4,7-10,13,18,21-22,24,28-29,31H,3,5-6,11-12H2,1-2H3,(H,26,32)/t18-,21+,22+,24+/m1/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=C(C=C4)Br
InChI: InChI=1S/C17H15BrN2O2S2/c18-12-6-8-14(9-7-12)20-16-11-24(21,22)10-15(16)19(17(20)23)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2/t15-,16-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC3=C(C=C2)OCCO3
InChI: InChI=1S/C19H25NO5/c1-12-5-3-4-6-15(12)20-18(21)13(2)25-19(22)14-7-8-16-17(11-14)24-10-9-23-16/h7-8,11-13,15H,3-6,9-10H2,1-2H3,(H,20,21)/t12-,13+,15+/m0/s1
SMILES: C[C@@]1(CC[C@@H]2C(=CC[C@H]3[C@]2(C[C@@H](C(=O)C3(C)C)O)C)C1)[C@H](CO)O
InChI: InChI=1S/C20H32O4/c1-18(2)15-6-5-12-9-19(3,16(23)11-21)8-7-13(12)20(15,4)10-14(22)17(18)24/h5,13-16,21-23H,6-11H2,1-4H3/t13-,14+,15-,16+,19+,20+/m1/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OC3CCCC3)C(=O)C(=O)N)C)O
InChI: InChI=1S/C21H30N2O5/c1-13(24)21(2)12-23(20(26)19(22)25)11-16(21)14-8-9-17(27-3)18(10-14)28-15-6-4-5-7-15/h8-10,13,15-16,24H,4-7,11-12H2,1-3H3,(H2,22,25)/t13-,16+,21+/m1/s1
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C
InChI: InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24?,25?,26-,27?,28?,29-,30-,31+,32-,33-,34+,35-/m1/s1
SMILES: CC(=C(CC[C@@]1(CCC[C@H]([C@H]1COCC2=CC=CC=C2)O)C)C(=C)C)C
InChI: InChI=1S/C24H36O2/c1-18(2)21(19(3)4)13-15-24(5)14-9-12-23(25)22(24)17-26-16-20-10-7-6-8-11-20/h6-8,10-11,22-23,25H,1,9,12-17H2,2-5H3/t22-,23-,24+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O
InChI: InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6-,8-,9-,10-/m1/s1
SMILES: C[C@H](CC(C(C(C)(C)O)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
InChI: InChI=1S/C27H44O4/c1-17-8-11-21(28)16-20(17)10-9-19-7-6-14-27(5)22(12-13-23(19)27)18(2)15-24(29)25(30)26(3,4)31/h9-10,18,21-25,28-31H,1,6-8,11-16H2,2-5H3/b19-9+,20-10-/t18-,21-,22-,23+,24?,25?,27-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](O[C@@H]1[C@@H](C)OCC2=CC=CC=C2)OC)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C16H21F3O6S/c1-10-13(11(2)23-9-12-7-5-4-6-8-12)24-15(22-3)14(10)25-26(20,21)16(17,18)19/h4-8,10-11,13-15H,9H2,1-3H3/t10-,11-,13+,14-,15+/m1/s1
SMILES: C[C@@H]([C@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=C(C=C3)C=CC(=O)O[C@H]4C(=O)OCC4(C)C)OC5(O2)CC6=CC=CC=C6C5)O
InChI: InChI=1S/C45H54N2O14/c1-25(49)36(40(53)46-31(23-48)16-18-35(51)60-43(2,3)4)47-39(52)30-19-32(37-33(20-30)59-45(61-37)21-28-9-7-8-10-29(28)22-45)57-41(54)27-14-11-26(12-15-27)13-17-34(50)58-38-42(55)56-24-44(38,5)6/h7-15,17,20,25,31-33,36-38,48-49H,16,18-19,21-24H2,1-6H3,(H,46,53)(H,47,52)/t25-,31-,32+,33+,36+,37-,38-/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)[C@@H](CC(=O)O)O
InChI: InChI=1S/C24H40O5/c1-13(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19+,20+,22-,23-,24+/m0/s1
SMILES: C1CCC(CC1)(C2=CN(N=N2)C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCC5=CC=C(C=C5)F)O
InChI: InChI=1S/C24H32FN5O2/c25-19-6-4-17(5-7-19)13-26-23(31)21-15-29-11-8-18(21)12-20(29)14-30-16-22(27-28-30)24(32)9-2-1-3-10-24/h4-7,16,18,20-21,32H,1-3,8-15H2,(H,26,31)/t18-,20+,21-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@@H](C[C@@H]([C@H]1C2=CC=CC=C2)COC(=O)C)COC(=O)C
InChI: InChI=1S/C19H25NO5/c1-12(21)20-19-17(11-25-14(3)23)9-16(10-24-13(2)22)18(19)15-7-5-4-6-8-15/h4-8,16-19H,9-11H2,1-3H3,(H,20,21)/t16-,17+,18-,19-/m1/s1
SMILES: COC(=O)[C@H]1C[C@H]1C2=C(C(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI: InChI=1S/C20H16O3/c1-23-20(22)16-11-15(16)18-13-9-5-6-10-14(13)19(21)17(18)12-7-3-2-4-8-12/h2-10,15-16H,11H2,1H3/t15-,16+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O)O)C)C)OCC[C@@](C)(CO)O
InChI: InChI=1S/C26H42O5/c1-16(31-12-11-24(2,30)15-27)20-7-8-21-19-6-5-17-13-18(28)14-23(29)26(17,4)22(19)9-10-25(20,21)3/h5-6,16,18,20-23,27-30H,7-15H2,1-4H3/t16-,18+,20+,21-,22-,23-,24-,25+,26-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(C(P(=O)(O)O)P(=O)(O)O)O)O)O)N
InChI: InChI=1S/C11H18N5O12P3/c12-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(28-10)1-27-31(25,26)11(29(19,20)21)30(22,23)24/h2-4,6-7,10-11,17-18H,1H2,(H,25,26)(H2,12,13,14)(H2,19,20,21)(H2,22,23,24)/t4-,6-,7-,10-/m1/s1
SMILES: CC[Si](CC)(C(C)C)OC(CC1=C(C=C(C=C1OCOC)C(=O)OC)[N+](=O)[O-])[C@@H]2[C@@H](N2C(=O)OC)COCC3=CC=C(C=C3)OC
InChI: InChI=1S/C32H46N2O11Si/c1-9-46(10-2,21(3)4)45-29(17-25-26(34(37)38)15-23(31(35)41-7)16-28(25)44-20-39-5)30-27(33(30)32(36)42-8)19-43-18-22-11-13-24(40-6)14-12-22/h11-16,21,27,29-30H,9-10,17-20H2,1-8H3/t27-,29?,30-,33?/m0/s1
SMILES: CCCCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC=CC=C2OCCC
InChI: InChI=1S/C19H26N2O3S/c1-4-6-12-24-18(22)16-13(3)20-19(25)21-17(16)14-9-7-8-10-15(14)23-11-5-2/h7-10,16-17H,3-6,11-12H2,1-2H3,(H2,20,21,25)/t16-,17+/m0/s1
SMILES: CCOC1=CC=CC=C1[C@H]2[C@@H]3CCCC[C@@]3(CCN2C(=O)C4=CC=CC=C4OC)O
InChI: InChI=1S/C25H31NO4/c1-3-30-22-14-7-4-10-18(22)23-20-12-8-9-15-25(20,28)16-17-26(23)24(27)19-11-5-6-13-21(19)29-2/h4-7,10-11,13-14,20,23,28H,3,8-9,12,15-17H2,1-2H3/t20-,23-,25-/m0/s1
SMILES: CC1=C2[C@@H]3[C@@H]([C@@H](CC2(CCC1)CO)O)C(=C)C(=O)O3
InChI: InChI=1S/C15H20O4/c1-8-4-3-5-15(7-16)6-10(17)11-9(2)14(18)19-13(11)12(8)15/h10-11,13,16-17H,2-7H2,1H3/t10-,11-,13+,15?/m1/s1
SMILES: CC(=O)N(CC=C)[C@@H]1[C@H](C=C[C@H]1O[Si](C)(C)C(C)(C)C)OC(=O)C
InChI: InChI=1S/C18H31NO4Si/c1-9-12-19(13(2)20)17-15(22-14(3)21)10-11-16(17)23-24(7,8)18(4,5)6/h9-11,15-17H,1,12H2,2-8H3/t15-,16+,17+/m0/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(CC6=CC=CC7=CC=CC=C76)C(=O)C8CC8)OCC=C)C=O
InChI: InChI=1S/C51H58N2O9/c1-4-26-60-51-47(53(50(57)34-18-19-34)31-36-15-11-14-33-12-5-6-16-40(33)36)30-44(52-59-3)42-28-35(13-7-9-24-54)41(17-8-10-25-55)48(49(42)51)43-29-39(21-23-46(43)62-51)61-38-20-22-45(58-2)37(27-38)32-56/h4-6,11-12,14-16,20-23,27-29,32,34-35,41,47-49,54-55H,1,7-10,13,17-19,24-26,30-31H2,2-3H3/t35-,41+,47-,48+,49+,51+/m0/s1
SMILES: C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C26H40O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/p-1/t16-,19+,20-,21+,22+,23-,25+,26-/m1/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@H]1C4C2[C@H](O3)C(=C[C@@H]4OC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6)Br
InChI: InChI=1S/C26H23BrO5/c27-22-17-12-18-21-20(17)19(31-26(29)15-9-5-2-6-10-15)11-16(23(21)32-24(18)22)13-30-25(28)14-7-3-1-4-8-14/h1-11,17-24H,12-13H2/t17-,18+,19+,20?,21?,22-,23-,24+/m1/s1
SMILES: C[C@@H]1C[C@]2([C@@H](CN1C)C)C(=C(OC3=NNC(=C23)C)N)C#N
InChI: InChI=1S/C15H21N5O/c1-8-7-20(4)9(2)5-15(8)11(6-16)13(17)21-14-12(15)10(3)18-19-14/h8-9H,5,7,17H2,1-4H3,(H,18,19)/t8-,9-,15+/m1/s1
SMILES: CC(C)CCCC(C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)CC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI: InChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)21-12-17-30(8)26-22(13-16-29(21,30)7)28(6)15-14-25(32)27(4,5)24(28)18-23(26)31/h19-21,24-25,32H,9-18H2,1-8H3/t20?,21-,24?,25+,28-,29-,30+/m1/s1
SMILES: CN(C)C1=CC(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)C4=CC=NC=C4
InChI: InChI=1S/C28H31N5O4/c1-33(2)21-9-10-25(34)22(16-21)26(35)18-5-7-19(8-6-18)27(36)31-23-4-3-13-30-17-24(23)32-28(37)20-11-14-29-15-12-20/h5-12,14-16,23-24,30,34H,3-4,13,17H2,1-2H3,(H,31,36)(H,32,37)/t23-,24-/m1/s1
SMILES: CC[Si](CC)(CC)OC[C@@H]1[C@H](CC(=O)O1)O[Si](CC)(CC)CC
InChI: InChI=1S/C17H36O4Si2/c1-7-22(8-2,9-3)19-14-16-15(13-17(18)20-16)21-23(10-4,11-5)12-6/h15-16H,7-14H2,1-6H3/t15-,16+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#CCOC5CCCCO5)O)C)O
InChI: InChI=1S/C27H42O4/c1-25-13-9-20(28)18-19(25)7-8-21-22(25)10-14-26(2)23(21)11-15-27(26,29)12-5-17-31-24-6-3-4-16-30-24/h19-24,28-29H,3-4,6-11,13-18H2,1-2H3/t19-,20-,21+,22-,23-,24?,25-,26-,27-/m0/s1
SMILES: CCOC(=O)CCCC/C=C(/C1=CC=CC=C1)\C2=CN=CC(=C2)[C@H]3OC[C@H]([C@H](O3)C4=CC=CC=C4O)C/C=C\CCC(=O)OCC
InChI: InChI=1S/C38H45NO7/c1-3-43-35(41)22-12-6-10-18-29-27-45-38(46-37(29)33-20-14-15-21-34(33)40)31-24-30(25-39-26-31)32(28-16-8-5-9-17-28)19-11-7-13-23-36(42)44-4-2/h5-6,8-10,14-17,19-21,24-26,29,37-38,40H,3-4,7,11-13,18,22-23,27H2,1-2H3/b10-6-,32-19-/t29-,37+,38+/m1/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@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C45H55NO15/c1-23-28(58-39(53)33(50)32(26-16-12-10-13-17-26)46-40(54)61-41(4,5)6)21-45(55)37(59-38(52)27-18-14-11-15-19-27)35-43(9,29(49)20-30-44(35,22-56-30)60-25(3)48)36(51)34(57-24(2)47)31(23)42(45,7)8/h10-19,28-30,32-35,37,49-50,55H,20-22H2,1-9H3,(H,46,54)/t28-,29+,30-,32+,33-,34-,35+,37+,43-,44+,45-/m1/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C31H23N3O7/c1-19-8-5-6-13-25(19)32-29(35)26-27(20-14-16-24(17-15-20)40-31(37)21-9-3-2-4-10-21)33(41-28(26)30(32)36)22-11-7-12-23(18-22)34(38)39/h2-18,26-28H,1H3/t26-,27+,28+/m1/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@@H]1Cl)Cl)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m1/s1
SMILES: C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4CC4)C)C=C(C=C3)NCC5=CC=C(C=C5)Cl
InChI: InChI=1S/C25H31ClN2/c1-17-24-13-20-7-10-22(27-15-18-5-8-21(26)9-6-18)14-23(20)25(17,2)11-12-28(24)16-19-3-4-19/h5-10,14,17,19,24,27H,3-4,11-13,15-16H2,1-2H3/t17-,24+,25+/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(C)C(=O)OCC(C)(C)C)OCC=C
InChI: InChI=1S/C54H80N4O11/c1-7-9-10-11-12-13-14-15-16-19-30-55-51(61)68-42-28-29-47-45(35-42)49-43(23-18-21-32-60)40(22-17-20-31-59)34-44-46(56-67-37-39-24-26-41(27-25-39)58(63)64)36-48(54(69-47,50(44)49)66-33-8-2)57(6)52(62)65-38-53(3,4)5/h8,24-29,34-35,40,43,48-50,59-60H,2,7,9-23,30-33,36-38H2,1,3-6H3,(H,55,61)/t40-,43+,48-,49+,50+,54+/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(=CC=C5)C=CC(=O)OCC(F)(F)F)C(=O)N6CCC[C@@H]6C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C46H64F3N3O12/c1-6-8-10-21-44(22-11-9-7-2)62-36-33-25-45(42(58)51-23-13-16-32(51)40(56)50-31(27-53)18-20-35(55)61-43(3,4)5)38(41(57)60-33)52(64-39(45)37(36)63-44)26-30-15-12-14-29(24-30)17-19-34(54)59-28-46(47,48)49/h12,14-15,17,19,24,31-33,36-39,53H,6-11,13,16,18,20-23,25-28H2,1-5H3,(H,50,56)/t31-,32+,33+,36-,37-,38+,39+,45+/m0/s1
SMILES: CN1C(=O)[C@@]2(CC3=CC=CC=C3N4[C@@H]2CN(CC4)CC5=CC=CC=C5)C(=O)NC1=O
InChI: InChI=1S/C23H24N4O3/c1-25-21(29)23(20(28)24-22(25)30)13-17-9-5-6-10-18(17)27-12-11-26(15-19(23)27)14-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H,24,28,30)/t19-,23-/m1/s1
SMILES: CC1=C[C@H]([C@@]([C@@H]([C@@H]1OC)OCOCC[Si](C)(C)C)(C2=C(OC=C2)[Si](C)(C)C)O)C(=O)OCC[Si](C)(C)C
InChI: InChI=1S/C27H50O7Si3/c1-20-18-22(25(28)32-15-17-36(6,7)8)27(29,21-12-13-33-26(21)37(9,10)11)24(23(20)30-2)34-19-31-14-16-35(3,4)5/h12-13,18,22-24,29H,14-17,19H2,1-11H3/t22-,23+,24+,27+/m0/s1
SMILES: CC1=CC=CC=C1N=NC2=C(C=C(C=C2)NC(=O)[C@@H]3[C@@H](C3(C)C)C=C(Cl)Cl)C
InChI: InChI=1S/C22H23Cl2N3O/c1-13-7-5-6-8-17(13)26-27-18-10-9-15(11-14(18)2)25-21(28)20-16(12-19(23)24)22(20,3)4/h5-12,16,20H,1-4H3,(H,25,28)/t16-,20-/m0/s1
SMILES: CCN1C(=NN=C1SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)CC4=CC=CC=C4
InChI: InChI=1S/C20H26N4OS/c1-2-24-18(12-14-6-4-3-5-7-14)22-23-20(24)26-13-19(25)21-17-11-15-8-9-16(17)10-15/h3-7,15-17H,2,8-13H2,1H3,(H,21,25)/t15-,16-,17-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H]2C3=C(C=CC(=C3)Br)O[C@]1(NC(=S)N2)C
InChI: InChI=1S/C14H15BrN2O3S/c1-3-19-12(18)10-11-8-6-7(15)4-5-9(8)20-14(10,2)17-13(21)16-11/h4-6,10-11H,3H2,1-2H3,(H2,16,17,21)/t10-,11-,14+/m0/s1