EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1/C=C(\[C@H](OC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)[C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)/C
InChI: InChI=1S/C27H41NO7/c1-17-14-18(2)27(35-25(32)13-8-6-5-7-12-22(34-4)26(17)33)19(3)21(29)11-9-10-20-15-23(30)28-24(31)16-20/h7,12,14,17,19-20,22,26-27,33H,5-6,8-11,13,15-16H2,1-4H3,(H,28,30,31)/b12-7+,18-14-/t17-,19-,22+,26+,27+/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)Br)C)C=O
InChI: InChI=1S/C36H55BrO4/c1-22(2)23-12-17-36(21-38)19-18-34(8)24(29(23)36)10-11-26-33(7)15-14-27(41-28(39)20-31(3,4)30(37)40)32(5,6)25(33)13-16-35(26,34)9/h21,23-27,29H,1,10-20H2,2-9H3/t23-,24?,25?,26?,27-,29?,33-,34+,35+,36+/m0/s1
SMILES: CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)[N+](=O)[O-]
InChI: InChI=1S/C20H27N3O5S/c1-29(27,28)17-4-5-18(19(13-17)23(25)26)21-6-8-22(9-7-21)20(24)12-16-11-14-2-3-15(16)10-14/h4-5,13-16H,2-3,6-12H2,1H3/t14-,15+,16+/m0/s1
SMILES: C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4N(CCCO)CCO)C
InChI: InChI=1S/C24H43NO2/c1-23-12-4-3-6-18(23)7-8-19-20-9-10-22(24(20,2)13-11-21(19)23)25(15-17-27)14-5-16-26/h18-22,26-27H,3-17H2,1-2H3/t18-,19+,20+,21+,22+,23+,24+/m1/s1
SMILES: COC(=O)C1=CC(=CC(=C1)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4)C(=O)OC
InChI: InChI=1S/C19H17NO6/c1-25-18(23)11-6-12(19(24)26-2)8-13(7-11)20-16(21)14-9-3-4-10(5-9)15(14)17(20)22/h3-4,6-10,14-15H,5H2,1-2H3/t9-,10+,14-,15+
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C19H23F3N2O4/c1-12-4-2-3-5-15(12)24-16(25)11-28-17(26)10-23-18(27)13-6-8-14(9-7-13)19(20,21)22/h6-9,12,15H,2-5,10-11H2,1H3,(H,23,27)(H,24,25)/t12-,15-/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)C6=CC=CC=C6)CCCCO)CCCCO)OCC=C)N(CC7=CC=C(C=C7)F)C(=O)OC
InChI: InChI=1S/C50H57FN2O8/c1-4-29-58-50-46(53(49(56)57-3)33-34-17-21-38(51)22-18-34)32-44(52-59-5-2)42-30-37(15-9-11-27-54)41(16-10-12-28-55)47(48(42)50)43-31-40(25-26-45(43)61-50)60-39-23-19-36(20-24-39)35-13-7-6-8-14-35/h4,6-8,13-14,17-26,30-31,37,41,46-48,54-55H,1,5,9-12,15-16,27-29,32-33H2,2-3H3/t37-,41+,46-,47+,48+,50+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OC(=O)OC5CCC6(CC7C=CC6(C5(C)C)OO7)C)C)C
InChI: InChI=1S/C41H64O5/c1-26(2)10-9-11-27(3)32-14-15-33-31-13-12-28-24-29(16-21-39(28,7)34(31)18-22-40(32,33)8)43-36(42)44-35-19-20-38(6)25-30-17-23-41(38,46-45-30)37(35,4)5/h12,17,23,26-27,29-35H,9-11,13-16,18-22,24-25H2,1-8H3/t27-,29?,30?,31+,32-,33+,34+,35?,38?,39+,40-,41?/m1/s1
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@@H]2[S@@](=O)C3=C[C@H]([C@H](CC3)C(=O)OC)OC
InChI: InChI=1S/C19H30O4S/c1-18(2)12-8-9-19(18,3)16(10-12)24(21)13-6-7-14(17(20)23-5)15(11-13)22-4/h11-12,14-16H,6-10H2,1-5H3/t12-,14-,15+,16-,19+,24-/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@@H]1OC)COCC2=C(C=C(C=C2)Cl)Cl)OCC3=C(C=C(C=C3)Cl)Cl)O
InChI: InChI=1S/C21H22Cl4O5/c1-21(26)19(29-10-13-4-6-15(23)8-17(13)25)18(30-20(21)27-2)11-28-9-12-3-5-14(22)7-16(12)24/h3-8,18-20,26H,9-11H2,1-2H3/t18-,19-,20+,21-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC2=C(C1=O)[C@@H](C(=C(N2)C)C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)OC
InChI: InChI=1S/C29H30N2O8/c1-5-38-28(33)23-16(3)30-22-15-21(17-9-8-12-20(14-17)37-4)25(29(34)39-6-2)27(32)26(22)24(23)18-10-7-11-19(13-18)31(35)36/h7-14,21,24-25,30H,5-6,15H2,1-4H3/t21-,24-,25-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl)SC2=CC=CC=C2)CNC(=O)OC(C)(C)C
InChI: InChI=1S/C24H31Cl3N2O9S/c1-13(30)35-18-16(11-28-21(32)38-23(3,4)5)37-20(39-15-9-7-6-8-10-15)17(19(18)36-14(2)31)29-22(33)34-12-24(25,26)27/h6-10,16-20H,11-12H2,1-5H3,(H,28,32)(H,29,33)/t16-,17-,18-,19-,20+/m1/s1
SMILES: CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C21H31N3O2/c1-22-21(26)18-11-9-16(10-12-18)14-23(2)15-20(25)24-13-5-7-17-6-3-4-8-19(17)24/h9-12,17,19H,3-8,13-15H2,1-2H3,(H,22,26)/p+1/t17-,19+/m1/s1
SMILES: C1CCCC(CC1)N2C(=O)[C@@H]3[C@@H](N[C@]4([C@@H]3C2=O)C5=CC=CC=C5NC4=O)CCC(=O)O
InChI: InChI=1S/C23H27N3O5/c27-17(28)12-11-16-18-19(21(30)26(20(18)29)13-7-3-1-2-4-8-13)23(25-16)14-9-5-6-10-15(14)24-22(23)31/h5-6,9-10,13,16,18-19,25H,1-4,7-8,11-12H2,(H,24,31)(H,27,28)/t16-,18+,19-,23-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](C(N(C1=O)CC2=CC=CC=C2)(CC3=CC=CC=C3)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H47NO4Si2/c1-28(2,3)36(7,8)34-25-26(35-37(9,10)29(4,5)6)30(33,21-23-17-13-11-14-18-23)31(27(25)32)22-24-19-15-12-16-20-24/h11-20,25-26,33H,21-22H2,1-10H3/t25-,26-,30?/m1/s1
SMILES: C1[C@@H](N2[C@@H]([C@H](N([C@H]2C3=CC=C(C=C3)F)CC4=CC=CC=C4)C5=CC=C(C=C5)F)C(=O)O1)C6=CC=CC=C6
InChI: InChI=1S/C31H26F2N2O2/c32-25-15-11-23(12-16-25)28-29-31(36)37-20-27(22-9-5-2-6-10-22)35(29)30(24-13-17-26(33)18-14-24)34(28)19-21-7-3-1-4-8-21/h1-18,27-30H,19-20H2/t27-,28-,29+,30-/m1/s1
SMILES: CN(C)CC(=O)OC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-])OC
InChI: InChI=1S/C31H31N3O10/c1-33(2)13-26(35)44-30-24(39-3)9-16(10-25(30)40-4)27-19-11-22-23(43-15-42-22)12-20(19)29(21-14-41-31(36)28(21)27)32-17-5-7-18(8-6-17)34(37)38/h5-12,21,27-29,32H,13-15H2,1-4H3/t21-,27+,28-,29+/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)C4=CC=CC=C4CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CN(C)CC6=CC=CC=C6
InChI: InChI=1S/C41H37F5N2O4/c1-24-32(22-48(2)21-25-8-4-3-5-9-25)51-41(52-39(24)28-14-12-26(23-49)13-15-28)29-18-16-27(17-19-29)31-11-7-6-10-30(31)20-47-40(50)33-34(42)36(44)38(46)37(45)35(33)43/h3-19,24,32,39,41,49H,20-23H2,1-2H3,(H,47,50)/t24-,32+,39+,41+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CN4CCN(CC4)C(=O)CNC(=O)CC(C)(C)C)O)CCC5=C3C=CC(=C5)OS(=O)(=O)N
InChI: InChI=1S/C31H48N4O6S/c1-29(2,3)18-27(36)33-19-28(37)35-15-13-34(14-16-35)20-31(38)12-10-26-25-7-5-21-17-22(41-42(32,39)40)6-8-23(21)24(25)9-11-30(26,31)4/h6,8,17,24-26,38H,5,7,9-16,18-20H2,1-4H3,(H,33,36)(H2,32,39,40)/t24-,25-,26+,30+,31-/m1/s1
SMILES: C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC(=C(C=C5)Cl)C(=O)O
InChI: InChI=1S/C18H14ClNO4/c19-13-4-1-7(5-12(13)18(23)24)20-16(21)14-8-2-3-9(11-6-10(8)11)15(14)17(20)22/h1-5,8-11,14-15H,6H2,(H,23,24)/t8-,9+,10+,11-,14+,15-
SMILES: CCCN(CCC)CC1=CC2=C(O1)C[C@H]3[C@H]([C@@H]2C(=O)N(C)CC)[C@H]([C@@H](C4[C@@]3(CCCC4(C)C)C)OC)OC
InChI: InChI=1S/C32H54N2O4/c1-10-16-34(17-11-2)20-21-18-22-24(38-21)19-23-26(25(22)30(35)33(7)12-3)27(36-8)28(37-9)29-31(4,5)14-13-15-32(23,29)6/h18,23,25-29H,10-17,19-20H2,1-9H3/t23-,25+,26+,27+,28-,29?,32+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4O)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)NC8=CC=CC=C8
InChI: InChI=1S/C38H24Cl2F5N3O5/c39-37-16-23-20(14-15-22-25(23)34(51)47(33(22)50)19-12-10-18(11-13-19)46-17-6-2-1-3-7-17)26(21-8-4-5-9-24(21)49)38(37,40)36(53)48(35(37)52)32-30(44)28(42)27(41)29(43)31(32)45/h1-14,22-23,25-26,46,49H,15-16H2/t22-,23+,25-,26+,37+,38-/m0/s1
SMILES: CC1=CC=CC=C1[C@@H]2[C@]3([C@@]2(C4(N=C3N)OCCO4)C#N)C#N
InChI: InChI=1S/C16H14N4O2/c1-10-4-2-3-5-11(10)12-14(8-17)13(19)20-16(15(12,14)9-18)21-6-7-22-16/h2-5,12H,6-7H2,1H3,(H2,19,20)/t12-,14-,15-/m1/s1
SMILES: C[C@@H]1[C@](OC(CN1C(=O)C2=CC=C(C=C2)C(F)(F)F)O)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C22H19Cl2F3N4O3/c1-13-21(10-30-12-28-11-29-30,17-7-6-16(23)8-18(17)24)34-19(32)9-31(13)20(33)14-2-4-15(5-3-14)22(25,26)27/h2-8,11-13,19,32H,9-10H2,1H3/t13-,19?,21-/m1/s1
SMILES: C[C@H]([C@@H](C)[C@](C)(C(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)C(=C)C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C35H67NO6Si3/c1-25(27(3)35(10,42-45(16,17)34(7,8)9)32(38)39-22-23-43(11,12)13)26(2)31(37)41-29-19-21-36-20-18-28(30(29)36)24-40-44(14,15)33(4,5)6/h18,25,27,29-30H,2,19-24H2,1,3-17H3/t25-,27+,29+,30+,35+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC3=NN=C(O3)C4=CC=CO4
InChI: InChI=1S/C17H17N3O6/c21-14(8-20-16(22)10-4-1-2-5-11(10)17(20)23)25-9-13-18-19-15(26-13)12-6-3-7-24-12/h3,6-7,10-11H,1-2,4-5,8-9H2/t10-,11-/m1/s1
SMILES: CC1(O[C@H]2C3=C(C=C(C=C3)OC)OC[C@]2(O1)CC4=CC(=C(C=C4)OC)OC)C
InChI: InChI=1S/C22H26O6/c1-21(2)27-20-16-8-7-15(23-3)11-18(16)26-13-22(20,28-21)12-14-6-9-17(24-4)19(10-14)25-5/h6-11,20H,12-13H2,1-5H3/t20-,22+/m0/s1
SMILES: CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(CC([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)(O)O)C)C)C(=O)O
InChI: InChI=1S/C24H30F2O7/c1-5-18(28)33-23(19(29)30)12(2)8-14-15-10-17(25)16-9-13(27)6-7-20(16,3)24(15,26)22(31,32)11-21(14,23)4/h6-7,9,12,14-15,17,31-32H,5,8,10-11H2,1-4H3,(H,29,30)/t12-,14+,15+,17+,20+,21+,23+,24-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C(=CC(=O)NC3=O)I)COCOC)C
InChI: InChI=1S/C14H19IN2O7/c1-14(2)23-10-7(5-21-6-20-3)22-12(11(10)24-14)17-8(15)4-9(18)16-13(17)19/h4,7,10-12H,5-6H2,1-3H3,(H,16,18,19)/t7-,10-,11-,12-/m1/s1
SMILES: CC1(O[C@@H]2CO[C@@H]([C@H]([C@@H]2O1)O)CC#CCOCC3=CC=C(C=C3)OC)C
InChI: InChI=1S/C20H26O6/c1-20(2)25-17-13-24-16(18(21)19(17)26-20)6-4-5-11-23-12-14-7-9-15(22-3)10-8-14/h7-10,16-19,21H,6,11-13H2,1-3H3/t16-,17-,18-,19-/m1/s1
SMILES: CCCOC1=C(C=C(C=C1)[N+](=O)[O-])[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OC
InChI: InChI=1S/C16H19N3O6/c1-4-7-25-12-6-5-10(19(22)23)8-11(12)14-13(15(20)24-3)9(2)17-16(21)18-14/h5-6,8,13-14H,2,4,7H2,1,3H3,(H2,17,18,21)/t13-,14+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=[13CH][13C](=O)[13CH2]C[C@]34C
InChI: InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1/i7+1,11+1,13+1
SMILES: CCOC(=O)C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=C(C(=CC=C4)Cl)Cl)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C29H19Cl2NO7/c1-2-38-28(37)15-12-10-14(11-13-15)23-20-21(27(36)32(26(20)35)19-9-5-8-18(30)22(19)31)29(39-23)24(33)16-6-3-4-7-17(16)25(29)34/h3-13,20-21,23H,2H2,1H3/t20-,21-,23+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCN(CC3)C(=O)C4=CC=CO4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6CCCCC6)C
InChI: InChI=1S/C38H52N2O5/c1-27-8-6-17-37(2)33(16-18-38(37,44)26-39-19-21-40(22-20-39)36(43)34-11-7-23-45-34)31-15-13-28(24-30(41)14-12-27)25-32(31)35(42)29-9-4-3-5-10-29/h7-8,11,13,15,23,25,29-30,33,41,44H,3-6,9-10,12,14,16-22,24,26H2,1-2H3/t30-,33-,37-,38+/m0/s1
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@H]3[C@H]4CC[C@@H]([C@@H]3C(=O)[O-])C=C4
InChI: InChI=1S/C21H25NO5S/c1-2-27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-9-12(10-8-11)16(15)20(24)25/h7,9,11-12,15-16H,2-6,8,10H2,1H3,(H,22,23)(H,24,25)/p-1/t11-,12+,15+,16+/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCCC2=CNC3=C2C=C(C=C3)OC)C4=CC=C(C=C4)C(=O)OC)CCCO
InChI: InChI=1S/C30H36N2O7/c1-4-38-30-23(6-5-15-33)24(19-7-9-20(10-8-19)29(35)37-3)17-27(39-30)28(34)31-14-13-21-18-32-26-12-11-22(36-2)16-25(21)26/h7-12,16-18,23-24,30,32-33H,4-6,13-15H2,1-3H3,(H,31,34)/t23-,24-,30-/m0/s1
SMILES: CCOC(=O)C1=CC(=C2C(=C(C(=CN2C1=O)F)N3CC[C@@H]([C@@H](C3)NC(=O)OC(C)(C)C)C)C)C4CC4
InChI: InChI=1S/C27H36FN3O5/c1-7-35-25(33)19-12-18(17-8-9-17)22-16(3)23(20(28)13-31(22)24(19)32)30-11-10-15(2)21(14-30)29-26(34)36-27(4,5)6/h12-13,15,17,21H,7-11,14H2,1-6H3,(H,29,34)/t15-,21+/m0/s1
SMILES: CCCSC1=NC(=C2C(=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O)N
InChI: InChI=1S/C13H19N5O3S/c1-2-3-22-13-16-11(14)10-12(17-13)18(6-15-10)9-4-7(20)8(5-19)21-9/h6-9,19-20H,2-5H2,1H3,(H2,14,16,17)/t7-,8+,9+/m0/s1
SMILES: COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CC[C@H]4CCCC[C@H]4C3
InChI: InChI=1S/C20H24N2O2S/c1-24-17-8-6-15(7-9-17)19-21-18(13-25-19)20(23)22-11-10-14-4-2-3-5-16(14)12-22/h6-9,13-14,16H,2-5,10-12H2,1H3/t14-,16+/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CCC1=CC(=CC=C1)OC)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C38H53IN2O8/c1-4-5-6-7-8-9-10-11-12-16-35(44)41(19-17-27-14-13-15-30(21-27)47-2)32-24-29(38(46)40-18-20-42)25-33(36(32)45)49-37-31(39)22-28(26-43)23-34(37)48-3/h13-15,21-23,25-26,32-33,36,42,45H,4-12,16-20,24H2,1-3H3,(H,40,46)/t32-,33+,36+/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@H]3CC[C@@]([C@@H]2N(C1=O)CC4=CC=CC=C4)(CN3CC5=CC=CC=C5)C
InChI: InChI=1S/C26H32N2O/c1-19-15-22-23-13-14-26(2,18-27(23)16-20-9-5-3-6-10-20)24(22)28(25(19)29)17-21-11-7-4-8-12-21/h3-12,19,22-24H,13-18H2,1-2H3/t19-,22+,23+,24+,26+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]([C@@H]1[C@@H]2CC[C@@H](N2C)CC1=O)C3=CC=CC=C3
InChI: InChI=1S/C21H33NO2Si/c1-21(2,3)25(5,6)24-20(15-10-8-7-9-11-15)19-17-13-12-16(22(17)4)14-18(19)23/h7-11,16-17,19-20H,12-14H2,1-6H3/t16-,17+,19-,20-/m1/s1
SMILES: CCCC(=O)O[C@H]1C=C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)O[Si](C)(C)CBr
InChI: InChI=1S/C16H27BrO5Si/c1-6-7-13(18)19-11-8-9-12(22-23(4,5)10-17)15-14(11)20-16(2,3)21-15/h8-9,11-12,14-15H,6-7,10H2,1-5H3/t11-,12+,14+,15-/m0/s1
SMILES: C1CCC(CC1)OC(=O)C2=CC3=C(C=C2)N[C@@H]([C@H]4[C@H]3C=CC4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C25H26ClNO2/c26-18-12-9-16(10-13-18)24-21-8-4-7-20(21)22-15-17(11-14-23(22)27-24)25(28)29-19-5-2-1-3-6-19/h4,7,9-15,19-21,24,27H,1-3,5-6,8H2/t20-,21-,24-/m1/s1
SMILES: C[C@@H]1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C24H20ClNO5/c1-14-3-2-4-19-21(14)23(29)26(22(19)28)18-11-7-16(8-12-18)24(30)31-13-20(27)15-5-9-17(25)10-6-15/h2-3,5-12,14,19,21H,4,13H2,1H3/t14-,19-,21-/m1/s1
SMILES: C1[C@@H]([C@H](C2=CC=CC=C2O1)O)CC3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H20O2/c23-22-19(15-24-21-9-5-4-8-20(21)22)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-13,19,22-23H,14-15H2/t19-,22+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@@H](O3)OCC[Si](C)(C)C)OC(=O)C4=CC=CC=C4)OC(=S)N5C=CN=C5
InChI: InChI=1S/C30H36N2O8SSi/c1-34-22-12-10-21(11-13-22)28-36-18-23-24(39-28)25(40-30(41)32-15-14-31-19-32)26(29(37-23)35-16-17-42(2,3)4)38-27(33)20-8-6-5-7-9-20/h5-15,19,23-26,28-29H,16-18H2,1-4H3/t23-,24-,25+,26-,28-,29-/m1/s1
SMILES: CC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)NC(=O)[C@H]4CC=CC[C@@H]4C(=O)O
InChI: InChI=1S/C25H29N3O3/c1-18-6-2-5-9-23(18)28-16-14-27(15-17-28)20-12-10-19(11-13-20)26-24(29)21-7-3-4-8-22(21)25(30)31/h2-6,9-13,21-22H,7-8,14-17H2,1H3,(H,26,29)(H,30,31)/t21-,22-/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4CCCN4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C23H21FN2O4/c1-30-16-10-8-15(9-11-16)26-22(28)18-17-3-2-12-25(17)20(19(18)23(26)29)21(27)13-4-6-14(24)7-5-13/h4-11,17-20H,2-3,12H2,1H3/t17-,18-,19-,20+/m1/s1
SMILES: CCCC1=C[C@@]23[C@@H]1C=C[C@@H]2[C@H]4[C@@]35C=C([C@@H]5C=C4)CCC
InChI: InChI=1S/C20H24/c1-3-5-13-11-19-15(13)7-9-17(19)18-10-8-16-14(6-4-2)12-20(16,18)19/h7-12,15-18H,3-6H2,1-2H3/t15-,16+,17-,18+,19-,20+
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3[C@@H]4[C@H]3C=C(C4)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C24H27F3O4SSi/c1-23(2,3)33(18-10-6-4-7-11-18,19-12-8-5-9-13-19)30-16-22-20-14-17(15-21(20)22)31-32(28,29)24(25,26)27/h4-14,20-22H,15-16H2,1-3H3/t20-,21+,22-/m1/s1
SMILES: C[C@H](COCC1=CC=C(C=C1)OC)/C=C/[C@]2(C[C@H]3C=C[C@@]2(C[C@H]3[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)C)O
InChI: InChI=1S/C33H54O4Si/c1-24(2)30(23-37-38(9,10)31(4,5)6)29-20-32(7)17-16-27(29)19-33(32,34)18-15-25(3)21-36-22-26-11-13-28(35-8)14-12-26/h11-18,24-25,27,29-30,34H,19-23H2,1-10H3/b18-15+/t25-,27+,29+,30+,32+,33+/m0/s1
SMILES: CC1([C@@H]([C@@H]1C(=O)N2C3=CC=CC=C3N=C2SCC=C)C=C(Cl)Cl)C
InChI: InChI=1S/C18H18Cl2N2OS/c1-4-9-24-17-21-12-7-5-6-8-13(12)22(17)16(23)15-11(10-14(19)20)18(15,2)3/h4-8,10-11,15H,1,9H2,2-3H3/t11-,15-/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H](C(=O)C4)O)C)C)[C@@H]5[C@H](OC(O5)(C)C)[C@H](C)C(C)C
InChI: InChI=1S/C31H50O5/c1-16(2)17(3)27-28(36-29(5,6)35-27)18(4)20-9-10-21-19-13-24(32)23-14-25(33)26(34)15-31(23,8)22(19)11-12-30(20,21)7/h16-23,26-28,34H,9-15H2,1-8H3/t17-,18+,19+,20-,21+,22+,23-,26-,27-,28-,30-,31-/m1/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=C(/C3=NC4=CC=CC=C4N3)\C(=S)N
InChI: InChI=1S/C18H17N3OS/c1-10-8-12(10)16-7-6-11(22-16)9-13(17(19)23)18-20-14-4-2-3-5-15(14)21-18/h2-7,9-10,12H,8H2,1H3,(H2,19,23)(H,20,21)/b13-9+/t10-,12-/m0/s1
SMILES: C[C@@H]1N=C2C(=O)C[C@@]3(CC[C@@H]([C@@H]3C4=C2C(=C(C(=C4)C)Br)O1)C(C)C)C
InChI: InChI=1S/C21H26BrNO2/c1-10(2)13-6-7-21(5)9-15(24)19-16-14(17(13)21)8-11(3)18(22)20(16)25-12(4)23-19/h8,10,12-13,17H,6-7,9H2,1-5H3/t12-,13-,17-,21+/m1/s1
SMILES: CC1(O[C@@H]([C@@H](O1)C(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)O)C(CO[Si](C)(C)C(C)(C)C)O)C
InChI: InChI=1S/C28H39NO7SSi/c1-27(2,3)38(6,7)34-18-23(30)25-26(36-28(4,5)35-25)24(31)22-17-19-13-11-12-16-21(19)29(22)37(32,33)20-14-9-8-10-15-20/h8-17,23-26,30-31H,18H2,1-7H3/t23?,24?,25-,26+/m1/s1
SMILES: COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC[C@H]3[C@@H]2CCCC3
InChI: InChI=1S/C21H29N3O6/c1-29-12-10-22-18-9-8-16(24(27)28)13-17(18)21(26)30-14-20(25)23-11-4-6-15-5-2-3-7-19(15)23/h8-9,13,15,19,22H,2-7,10-12,14H2,1H3/t15-,19-/m0/s1
SMILES: COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC)COC(=O)C4=CC(=C(C(=C4)O)O)O
InChI: InChI=1S/C28H36O18/c1-40-14-3-10(9-42-26(39)11-5-12(31)18(33)13(32)6-11)4-15(41-2)24(14)45-28-23(38)25(20(35)17(8-30)44-28)46-27-22(37)21(36)19(34)16(7-29)43-27/h3-6,16-17,19-23,25,27-38H,7-9H2,1-2H3/t16-,17-,19-,20-,21+,22-,23-,25+,27+,28+/m1/s1
SMILES: CC1([C@H]([C@H]2CC[C@]3(C2)[C@H]1C(=O)CC3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C20H26O2/c1-19(2)17-16(21)9-11-20(17)10-8-15(12-20)18(19)22-13-14-6-4-3-5-7-14/h3-7,15,17-18H,8-13H2,1-2H3/t15-,17-,18-,20-/m0/s1
SMILES: CC1[C@@H]([C@@H]2[C@]1(C(=O)C=C(C2=O)OC)C)C3=CC=CC=C3
InChI: InChI=1S/C17H18O3/c1-10-14(11-7-5-4-6-8-11)15-16(19)12(20-3)9-13(18)17(10,15)2/h4-10,14-15H,1-3H3/t10?,14-,15+,17-/m1/s1
SMILES: CCN(CC)C(=O)[C@@H]1[C@H](C(=NO1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C20H21N3O4/c1-3-22(4-2)20(24)19-17(14-9-6-5-7-10-14)18(21-27-19)15-11-8-12-16(13-15)23(25)26/h5-13,17,19H,3-4H2,1-2H3/t17-,19-/m0/s1
SMILES: CCCCCCCC(=O)N(C[C@@H]1CCCO1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C28H40N2O6/c1-2-3-4-5-6-13-24(32)30(18-19-10-9-16-35-19)22-17-21(28(34)29-14-15-31)25-20-11-7-8-12-23(20)36-27(25)26(22)33/h7-8,11-12,17,19,22,25-27,31,33H,2-6,9-10,13-16,18H2,1H3,(H,29,34)/t19-,22+,25-,26-,27-/m0/s1
SMILES: C1[C@@H](OC(=O)N1C2=CC(=C(C(=C2)F)N3C[C@@H]4[C@H](C3)C4C(=O)O)F)CNC(=O)C(Cl)Cl
InChI: InChI=1S/C18H17Cl2F2N3O5/c19-15(20)16(26)23-3-8-4-25(18(29)30-8)7-1-11(21)14(12(22)2-7)24-5-9-10(6-24)13(9)17(27)28/h1-2,8-10,13,15H,3-6H2,(H,23,26)(H,27,28)/t8-,9-,10+,13?/m0/s1
SMILES: C[C@@H]1C[C@@]([C@@H](CN1C)C)(CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)O
InChI: InChI=1S/C22H29NO2/c1-17-15-23(3)18(2)14-21(17,24)16-22(25,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,24-25H,14-16H2,1-3H3/t17-,18-,21+/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCC[C@@H]4[C@@H]3CCCC4
InChI: InChI=1S/C18H25N5OS/c1-24-16-10-8-15(9-11-16)23-18(25)22(19-20-23)13-21-12-4-6-14-5-2-3-7-17(14)21/h8-11,14,17H,2-7,12-13H2,1H3/p+1/t14-,17+/m1/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C27H44O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-22,24,28,30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,24+,26+,27-/m1/s1
SMILES: CC(C)N(C(C)C)P(N1C2=C(C(=N1)[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(N(C(C)C)C(C)C)OCCC#N)N=CN=C2N=CN(C)C)OCCC#N
InChI: InChI=1S/C52H70N10O7P2/c1-36(2)60(37(3)4)70(66-30-16-28-53)62-50-49(55-34-56-51(50)57-35-59(9)10)48(58-62)46-32-45(69-71(67-31-17-29-54)61(38(5)6)39(7)8)47(68-46)33-65-52(40-18-14-13-15-19-40,41-20-24-43(63-11)25-21-41)42-22-26-44(64-12)27-23-42/h13-15,18-27,34-39,45-47H,16-17,30-33H2,1-12H3/t45-,46+,47+,70?,71?/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)NC[C@H]3COC4=CC=CC=C4O3
InChI: InChI=1S/C20H22N2O5/c23-18(21-11-13-12-26-16-7-3-4-8-17(16)27-13)9-10-22-19(24)14-5-1-2-6-15(14)20(22)25/h1-4,7-8,13-15H,5-6,9-12H2,(H,21,23)/t13-,14-,15+/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)C)CN(C)CC4=CC=CC=C4
InChI: InChI=1S/C30H36N2O4/c1-21-28(19-32(3)18-24-7-5-4-6-8-24)35-30(27-15-9-23(10-16-27)17-31-22(2)34)36-29(21)26-13-11-25(20-33)12-14-26/h4-16,21,28-30,33H,17-20H2,1-3H3,(H,31,34)/t21-,28+,29+,30+/m1/s1
SMILES: C[C@]1([C@@H](N=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C18H17NO3/c1-18(17(20)21-2)15(13-9-5-3-6-10-13)19-16(22-18)14-11-7-4-8-12-14/h3-12,15H,1-2H3/t15-,18-/m0/s1
SMILES: C=C[C@H]1C[N@@+]2(CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5.[Cl-]
InChI: InChI=1S/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21-,25-,26+,28+;/m0./s1
SMILES: CC(C)CCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=CC=CC=C23)C(=O)NCCO)C(=O)C
InChI: InChI=1S/C22H30N2O5/c1-13(2)8-10-24(14(3)26)17-12-16(22(28)23-9-11-25)19-15-6-4-5-7-18(15)29-21(19)20(17)27/h4-7,12-13,17,19-21,25,27H,8-11H2,1-3H3,(H,23,28)/t17-,19+,20+,21+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)N(N=C3C(=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C25H19N3O3/c1-16-12-14-18(15-13-16)27-24(30)20-21(23(29)17-8-4-2-5-9-17)26-28(22(20)25(27)31)19-10-6-3-7-11-19/h2-15,20,22H,1H3/t20-,22+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=C(C=C7)C#N)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C48H50N2O14/c1-25-32(62-44(58)37(54)36(29-13-9-7-10-14-29)50-42(56)30-15-11-8-12-16-30)22-48(59)41(63-43(57)31-19-17-28(23-49)18-20-31)39-46(6,33(53)21-34-47(39,24-60-34)64-27(3)52)40(55)38(61-26(2)51)35(25)45(48,4)5/h7-20,32-34,36-39,41,53-54,59H,21-22,24H2,1-6H3,(H,50,56)/t32-,33-,34+,36-,37+,38+,39-,41-,46+,47-,48+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=CC=C(C5=CC=CC=C45)O)C6=CC=CC=C6)C7=CC=CC=C7)[C@@H]8[C@H]1C(=O)N(C8=O)CCCCCC(=O)O
InChI: InChI=1S/C44H39NO7/c46-36-22-21-30(28-16-9-10-17-29(28)36)40-31-19-20-32-39(43(52)45(42(32)51)23-11-3-8-18-38(48)49)34(31)24-35-41(50)33(26-12-4-1-5-13-26)25-37(47)44(35,40)27-14-6-2-7-15-27/h1-2,4-7,9-10,12-17,19,21-22,25,32,34-35,39-40,46H,3,8,11,18,20,23-24H2,(H,48,49)/t32-,34+,35-,39-,40-,44-/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=CC(=C(C=C5)O)OC)C(=O)N(C4=O)CCCCCC(=O)O)Cl
InChI: InChI=1S/C28H30Cl2N2O8/c1-31-25(38)27(29)13-17-15(22(28(27,30)26(31)39)14-7-10-18(33)19(12-14)40-2)8-9-16-21(17)24(37)32(23(16)36)11-5-3-4-6-20(34)35/h7-8,10,12,16-17,21-22,33H,3-6,9,11,13H2,1-2H3,(H,34,35)/t16-,17+,21-,22-,27+,28-/m0/s1
SMILES: CC1=CC(=CC(=C1)NC(=O)OCCCNCC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C.C1COCCOC2=CC=CC=C2OCCOCCOCCOC3=C4C(=CC=C3)O[C@@H]([C@H](OC5=CC=CC(=C54)OCCO1)COCC6=CC=CC=C6)COCC7=CC=CC=C7
InChI: InChI=1S/C48H54O12.C27H40N2O2/c1-3-11-37(12-4-1)33-53-35-45-46(36-54-34-38-13-5-2-6-14-38)60-44-20-10-18-42-48(44)47-41(17-9-19-43(47)59-45)57-31-27-51-23-21-49-25-29-55-39-15-7-8-16-40(39)56-30-26-50-22-24-52-28-32-58-42;1-19-12-20(2)14-24(13-19)29-25(30)31-11-9-10-28-18-21-15-22(26(3,4)5)17-23(16-21)27(6,7)8/h1-20,45-46H,21-36H2;12-17,28H,9-11,18H2,1-8H3,(H,29,30)/t45-,46-;/m1./s1
SMILES: CC1=C2[C@](CCC(=O)N2C)(C3CC[C@]4([C@H](C3C1)CC[C@@H]4C(=O)NC5=NC(=CS5)C)C)C
InChI: InChI=1S/C25H35N3O2S/c1-14-12-16-17-6-7-19(22(30)27-23-26-15(2)13-31-23)24(17,3)10-8-18(16)25(4)11-9-20(29)28(5)21(14)25/h13,16-19H,6-12H2,1-5H3,(H,26,27,30)/t16?,17-,18?,19+,24-,25+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H]([NH2+][C@H]([C@H](C2=O)C3=CC=CC=C3)C4=CC=CO4)C5=CC=CO5
InChI: InChI=1S/C25H21NO3/c27-25-21(17-9-3-1-4-10-17)23(19-13-7-15-28-19)26-24(20-14-8-16-29-20)22(25)18-11-5-2-6-12-18/h1-16,21-24,26H/p+1/t21-,22+,23+,24-
SMILES: C[C@H]1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C([C@H]1C)O)OCO5)OC)OC)OCO3
InChI: InChI=1S/C22H24O7/c1-10-5-12-6-14-19(28-8-26-14)21(24-3)16(12)17-13(18(23)11(10)2)7-15-20(22(17)25-4)29-9-27-15/h6-7,10-11,18,23H,5,8-9H2,1-4H3/t10-,11-,18?/m0/s1
SMILES: CCCCN(C)C(=O)CCCCCCCOC1=CC=C(C=C1)[C@H]2C[C@@]3([C@H](CCC3[C@]4(C2C5=C(CC4)C=C(C=C5)O)C)O)C
InChI: InChI=1S/C38H55NO4/c1-5-6-23-39(4)35(42)12-10-8-7-9-11-24-43-30-16-13-27(14-17-30)32-26-38(3)33(19-20-34(38)41)37(2)22-21-28-25-29(40)15-18-31(28)36(32)37/h13-18,25,32-34,36,40-41H,5-12,19-24,26H2,1-4H3/t32-,33?,34+,36?,37+,38+/m1/s1
SMILES: CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](N[C@@H]2C3=C(C=CS3)C)(C)C(=O)OCC
InChI: InChI=1S/C17H22N2O4S/c1-5-19-14(20)10-11(15(19)21)17(4,16(22)23-6-2)18-12(10)13-9(3)7-8-24-13/h7-8,10-12,18H,5-6H2,1-4H3/t10-,11+,12+,17-/m1/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OC)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O
InChI: InChI=1S/C21H40O10/c1-4-5-6-7-8-9-10-28-21-19(18(27-3)15(24)13(11-22)30-21)31-20-17(26)16(25)14(23)12(2)29-20/h12-26H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18-,19+,20-,21+/m0/s1