EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC=C(C=C1)C[C@@]2([C@@H]3[C@@H](CC4=C3C=C(N4CCC5=CC=CC=N5)C(=O)N6CCCC6)CN2C(=O)C7=CC=CC=C7)C(=O)OC
InChI: InChI=1S/C38H40N4O5/c1-46-30-15-13-26(14-16-30)24-38(37(45)47-2)34-28(25-42(38)35(43)27-10-4-3-5-11-27)22-32-31(34)23-33(36(44)40-19-8-9-20-40)41(32)21-17-29-12-6-7-18-39-29/h3-7,10-16,18,23,28,34H,8-9,17,19-22,24-25H2,1-2H3/t28-,34+,38+/m0/s1
SMILES: CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2C3=CC=CC=C3C)(CCSC)C(=O)OC
InChI: InChI=1S/C20H26N2O4S/c1-5-22-17(23)14-15(18(22)24)20(10-11-27-4,19(25)26-3)21-16(14)13-9-7-6-8-12(13)2/h6-9,14-16,21H,5,10-11H2,1-4H3/p+1/t14-,15+,16-,20-/m1/s1
SMILES: CC(=O)O[C@@H]1CC=CC(=O)N2[C@@H](C1)[C@H]3[C@H](C4=CC5=C(C=C42)OCO5)OC(O3)(C)C
InChI: InChI=1S/C21H23NO7/c1-11(23)27-12-5-4-6-18(24)22-14-9-17-16(25-10-26-17)8-13(14)19-20(15(22)7-12)29-21(2,3)28-19/h4,6,8-9,12,15,19-20H,5,7,10H2,1-3H3/t12-,15+,19+,20+/m1/s1
SMILES: CC(=O)N[C@H]1[C@@H](C=C[C@]1(COC(=O)C(C)(C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H25NO7/c1-10(19)18-14-13(24-11(2)20)7-8-17(14,25-12(3)21)9-23-15(22)16(4,5)6/h7-8,13-14H,9H2,1-6H3,(H,18,19)/t13-,14+,17-/m1/s1
SMILES: C[C@@H]1[C@H]([C@H]2[C@@H]1C(=O)C=C(C2=O)OC)C3=CC=CC=C3C
InChI: InChI=1S/C17H18O3/c1-9-6-4-5-7-11(9)14-10(2)15-12(18)8-13(20-3)17(19)16(14)15/h4-8,10,14-16H,1-3H3/t10-,14+,15+,16+/m1/s1
SMILES: CN(C)[C@@H]1[C@H]2C[C@H]3CC4=C(C=CC(=C4C(=O)C3C(=O)[C@]2(C(=O)C(C1=O)C(=O)N)O)O)CN(CC5CC5)CC6CC6
InChI: InChI=1S/C30H37N3O7/c1-32(2)24-19-10-17-9-18-16(13-33(11-14-3-4-14)12-15-5-6-15)7-8-20(34)22(18)25(35)21(17)27(37)30(19,40)28(38)23(26(24)36)29(31)39/h7-8,14-15,17,19,21,23-24,34,40H,3-6,9-13H2,1-2H3,(H2,31,39)/t17-,19-,21?,23?,24-,30-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(C)[C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC7=CC=CC=C7C=C6)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C58H75N3O10/c1-4-6-7-8-9-10-11-12-13-20-36-67-57(64)60(3)54-40-52(59-69-41-42-25-28-46(29-26-42)61(65)66)50-38-45(23-16-18-33-62)49(24-17-19-34-63)55-51-39-48(70-47-30-27-43-21-14-15-22-44(43)37-47)31-32-53(51)71-58(54,56(50)55)68-35-5-2/h5,14-15,21-22,25-32,37-39,45,49,54-56,62-63H,2,4,6-13,16-20,23-24,33-36,40-41H2,1,3H3/t45-,49+,54-,55+,56+,58+/m0/s1
SMILES: C[C@H]1CO[C@@H](O[C@@H]1[C@@H](C)C(=O)C[C@H]([C@@H](C)[C@@H](C(C)C)O[Si](C)(C)C(C)(C)C)O)C2=CC=C(C=C2)OC
InChI: InChI=1S/C29H50O6Si/c1-18(2)26(35-36(10,11)29(6,7)8)20(4)24(30)16-25(31)21(5)27-19(3)17-33-28(34-27)22-12-14-23(32-9)15-13-22/h12-15,18-21,24,26-28,30H,16-17H2,1-11H3/t19-,20+,21-,24+,26+,27-,28-/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/CO)/C)CCC=C2C)C
InChI: InChI=1S/C20H34O/c1-15(11-14-21)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18,21H,6,8-10,12-14H2,1-5H3/b15-11+/t17-,18-,19+,20+/m1/s1
SMILES: C1[C@@H]2[C@H](C(=O)C=C(O2)NC3=CC4=CC=CC=C4C=C3)O[C@@H](O1)C5=CC=CC=C5
InChI: InChI=1S/C23H19NO4/c25-19-13-21(24-18-11-10-15-6-4-5-9-17(15)12-18)27-20-14-26-23(28-22(19)20)16-7-2-1-3-8-16/h1-13,20,22-24H,14H2/t20-,22+,23-/m1/s1
SMILES: C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C20H20N2OS/c1-12-7-8-14-17(11-21)20(24-18(14)9-12)22-19(23)16-10-15(16)13-5-3-2-4-6-13/h2-6,12,15-16H,7-10H2,1H3,(H,22,23)/t12-,15+,16-/m1/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@@H](CC1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)O)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CSC(=N5)NC6CCCCC6)NC(=O)OC7CCCC7
InChI: InChI=1S/C42H54N6O8S/c1-6-24-21-42(24,38(51)52)47-36(49)33-19-28(22-48(33)37(50)35(41(2,3)4)46-40(53)56-26-14-10-11-15-26)55-34-20-31(44-30-18-27(54-5)16-17-29(30)34)32-23-57-39(45-32)43-25-12-8-7-9-13-25/h6,16-18,20,23-26,28,33,35H,1,7-15,19,21-22H2,2-5H3,(H,43,45)(H,46,53)(H,47,49)(H,51,52)/t24-,28-,33?,35-,42-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CC[C@H]4[C@@]3(CO[C@H](C4)O)C
InChI: InChI=1S/C18H28O4/c1-17-6-5-12-11(13(17)8-14(19)16(17)21)4-3-10-7-15(20)22-9-18(10,12)2/h10-15,19-20H,3-9H2,1-2H3/t10-,11-,12+,13+,14-,15-,17+,18+/m1/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)/C=N\O
InChI: InChI=1S/C25H18N2O3/c28-23-21-20-16-10-4-6-12-18(16)25(14-26-30,19-13-7-5-11-17(19)20)22(21)24(29)27(23)15-8-2-1-3-9-15/h1-14,20-22,30H/b26-14-/t20?,21-,22+,25?/m1/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)C(=O)N(C3=O)C6=CC=C(C=C6)C(=O)O)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C(=O)O
InChI: InChI=1S/C41H32N2O10/c44-32-18-26(53-20-21-4-2-1-3-5-21)14-15-28(32)33-27-16-17-29-34(38(47)42(36(29)45)24-10-6-22(7-11-24)40(49)50)30(27)19-31-35(33)39(48)43(37(31)46)25-12-8-23(9-13-25)41(51)52/h1-16,18,29-31,33-35,44H,17,19-20H2,(H,49,50)(H,51,52)/t29-,30+,31+,33+,34-,35+/m0/s1
SMILES: CCO[C@@H]1C=C[C@@H]([C@H](O1)CO)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C14H28O4Si/c1-7-16-13-9-8-11(12(10-15)17-13)18-19(5,6)14(2,3)4/h8-9,11-13,15H,7,10H2,1-6H3/t11-,12+,13-/m0/s1
SMILES: COC(=O)C1=CC2=C(C=C1)OC(=O)[C@H]3[C@H]2C4=C(NC(=O)S4)S[C@H]3C(=O)O
InChI: InChI=1S/C16H11NO7S2/c1-23-14(20)5-2-3-7-6(4-5)8-9(15(21)24-7)11(13(18)19)25-12-10(8)26-16(22)17-12/h2-4,8-9,11H,1H3,(H,17,22)(H,18,19)/t8-,9-,11+/m0/s1
SMILES: CC(C)(C)OC(=O)[C@@H]1C[C@@H]([C@H]2[C@@H]1CNC2)C(=O)OC(C)(C)C
InChI: InChI=1S/C17H29NO4/c1-16(2,3)21-14(19)10-7-11(13-9-18-8-12(10)13)15(20)22-17(4,5)6/h10-13,18H,7-9H2,1-6H3/t10-,11+,12-,13+
SMILES: C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H]([C@@]4(C[C@]5([C@H]([C@@]4([C@H]2OC(=O)C)C)C[C@@](C[C@H]5OC(=O)C)(C)OC(=O)C)OC(=O)C)C)OC(=O)C)O
InChI: InChI=1S/C37H48O13/c1-19-15-36(44)28(29(19)48-31(43)25-13-11-10-12-14-25)30(46-21(3)39)34(8)18-37(50-24(6)42)26(35(34,9)32(36)47-22(4)40)16-33(7,49-23(5)41)17-27(37)45-20(2)38/h10-14,19,26-30,32,44H,15-18H2,1-9H3/t19-,26-,27+,28+,29-,30+,32+,33+,34-,35+,36+,37+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C=CC5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-])C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C36H31N3O8/c1-36-27(16-8-20-9-17-29(40)30(18-20)47-2)24-14-15-25-31(34(43)37(32(25)41)22-10-12-23(13-11-22)39(45)46)26(24)19-28(36)33(42)38(35(36)44)21-6-4-3-5-7-21/h3-14,16-18,25-28,31,40H,15,19H2,1-2H3/t25-,26+,27-,28-,31-,36-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H]2C(=CC(=O)O2)Br)C(C)C
InChI: InChI=1S/C14H21BrO3/c1-8(2)10-5-4-9(3)6-12(10)17-14-11(15)7-13(16)18-14/h7-10,12,14H,4-6H2,1-3H3/t9-,10+,12-,14+/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)F)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C41H39FO6/c42-35-36(44-26-30-16-6-1-7-17-30)38(45-27-31-18-8-2-9-19-31)40(47-29-33-22-12-4-13-23-33)39(46-28-32-20-10-3-11-21-32)37(35)48-41(43)34-24-14-5-15-25-34/h1-25,35-40H,26-29H2/t35-,36-,37+,38+,39-,40-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN6CCC[C@H]6C(=O)OC(C)(C)C
InChI: InChI=1S/C44H53N3O8S/c1-29-16-22-36(23-17-29)56(51,52)46-37(25-31-11-7-6-8-12-31)41(49)45-35-14-9-13-34(26-35)43-53-39(27-47-24-10-15-38(47)42(50)55-44(3,4)5)30(2)40(54-43)33-20-18-32(28-48)19-21-33/h6-9,11-14,16-23,26,30,37-40,43,46,48H,10,15,24-25,27-28H2,1-5H3,(H,45,49)/t30-,37+,38-,39+,40+,43+/m0/s1
SMILES: COC1=CC(=C(C=C1)N2C[C@H](CC2=O)C(=O)N3CCC[C@H]4[C@@H]3CCCC4)OC
InChI: InChI=1S/C22H30N2O4/c1-27-17-9-10-19(20(13-17)28-2)24-14-16(12-21(24)25)22(26)23-11-5-7-15-6-3-4-8-18(15)23/h9-10,13,15-16,18H,3-8,11-12,14H2,1-2H3/t15-,16-,18-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]\4([C@H]3CC/C4=C(\C=O)/O)C)O
InChI: InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,11,14-15,17,19,24-25H,3-8,10H2,1-2H3/b18-16-/t14-,15-,17-,19+,20-,21-/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)C[C@H](C4=CC(=CC=C4)O)O
InChI: InChI=1S/C31H38N2O6/c1-20-29(18-33(3)17-28(37)26-5-4-6-27(36)15-26)38-31(25-13-7-22(8-14-25)16-32-21(2)35)39-30(20)24-11-9-23(19-34)10-12-24/h4-15,20,28-31,34,36-37H,16-19H2,1-3H3,(H,32,35)/t20-,28-,29+,30+,31+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CCC34S
InChI: InChI=1S/C18H26O2S/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h10,13-16,20-21H,2-9H2,1H3/t13-,14-,15-,16-,17-,18?/m0/s1
SMILES: CCOC(=O)[C@@]1([C@@H]2CCC3=C([C@]2(CCC1=O)C)C=CC(=C3OC)C(C)C)Cl
InChI: InChI=1S/C22H29ClO4/c1-6-27-20(25)22(23)17-10-8-15-16(21(17,4)12-11-18(22)24)9-7-14(13(2)3)19(15)26-5/h7,9,13,17H,6,8,10-12H2,1-5H3/t17-,21-,22+/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)C(=O)C3=NC=CC(=C3)N4CCOCC4
InChI: InChI=1S/C19H27N3O2/c23-19(22-8-6-15-3-1-2-4-16(15)14-22)18-13-17(5-7-20-18)21-9-11-24-12-10-21/h5,7,13,15-16H,1-4,6,8-12,14H2/t15-,16+/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)N2C(=O)[C@H]3[C@H](N4CCCN4[C@@H]3C2=O)C5=CC=C(C=C5)OC)C
InChI: InChI=1S/C24H27N3O3/c1-14-12-15(2)20(16(3)13-14)27-23(28)19-21(17-6-8-18(30-4)9-7-17)25-10-5-11-26(25)22(19)24(27)29/h6-9,12-13,19,21-22H,5,10-11H2,1-4H3/t19-,21+,22-/m0/s1
SMILES: CC1=CC=CC=C1CN2C(=O)[C@H]3[C@@H]4CC[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C18H19NO2/c1-11-4-2-3-5-14(11)10-19-17(20)15-12-6-7-13(9-8-12)16(15)18(19)21/h2-7,12-13,15-16H,8-10H2,1H3/t12-,13+,15-,16-/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](COCC2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H](O3)[C@@H](CO)O)O)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H44O11/c1-2-41-35-33(43-21-25-16-10-5-11-17-25)32(42-20-24-14-8-4-9-15-24)31(46-35)27(22-40-19-23-12-6-3-7-13-23)44-34-29(39)28(38)30(45-34)26(37)18-36/h3-17,26-39H,2,18-22H2,1H3/t26-,27-,28-,29-,30+,31+,32+,33-,34-,35-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](S2)CO)O)O)O)O
InChI: InChI=1S/C13H24O10S/c1-21-12-10(20)11(6(16)4(2-14)22-12)23-13-9(19)8(18)7(17)5(3-15)24-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9-,10+,11+,12+,13+/m1/s1
SMILES: C[C@]12CCCC([C@@H]1[C@@H](CC(=C)[C@@H]2/C=C/C3=COC=C3)O)(C)C
InChI: InChI=1S/C20H28O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11,13,16-18,21H,1,5,9-10,12H2,2-4H3/b7-6+/t16-,17+,18-,20+/m0/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=CC(=C(C=C5)O)OCC)Cl)CBr)Cl
InChI: InChI=1S/C26H27BrCl2N2O6/c1-3-9-30-21(33)15-7-6-14-16(19(15)22(30)34)11-25(28)23(35)31(12-27)24(36)26(25,29)20(14)13-5-8-17(32)18(10-13)37-4-2/h5-6,8,10,15-16,19-20,32H,3-4,7,9,11-12H2,1-2H3/t15-,16+,19-,20-,25+,26-/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)CO)CO)O)O
InChI: InChI=1S/C23H29N5O9/c24-20-14-21(26-9-25-20)28(10-27-14)22-17(33)18(13(7-30)35-22)37-23-19(16(32)15(31)12(6-29)36-23)34-8-11-4-2-1-3-5-11/h1-5,9-10,12-13,15-19,22-23,29-33H,6-8H2,(H2,24,25,26)/t12-,13-,15-,16+,17-,18-,19-,22-,23-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)CCO
InChI: InChI=1S/C13H20O7/c1-7(15)18-11-6-10(4-5-14)12(19-8(2)16)13(11)20-9(3)17/h10-14H,4-6H2,1-3H3/t10-,11+,12+,13+/m0/s1
SMILES: C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6
InChI: InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC[C@@H](C[C@@H]2[C@H]([C@H]([C@@H](O2)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-])C(=O)OC(C)(C)C
InChI: InChI=1S/C27H38N4O11S/c1-15-8-11-20(12-9-15)43(36,37)30-21(25(35)42-27(5,6)7)13-10-19(29-31-28)14-22-23(38-16(2)32)24(39-17(3)33)26(41-22)40-18(4)34/h8-9,11-12,19,21-24,26,30H,10,13-14H2,1-7H3/t19-,21-,22+,23+,24+,26+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)CCC(=O)OCC(=O)C4=CC=CC=C4
InChI: InChI=1S/C20H21NO5/c22-15(12-4-2-1-3-5-12)11-26-16(23)8-9-21-19(24)17-13-6-7-14(10-13)18(17)20(21)25/h1-5,13-14,17-18H,6-11H2/t13-,14+,17-,18-/m0/s1
SMILES: C1[C@H]([C@H]([C@H]([C@H](O1)NC2=CC3=C(C=C2)C=C4C=CC(=CC4=N3)N[C@@H]5[C@@H]([C@@H]([C@@H](CO5)O)O)O)O)O)O
InChI: InChI=1S/C23H27N3O8/c27-16-8-33-22(20(31)18(16)29)24-12-3-1-10-5-11-2-4-13(7-15(11)26-14(10)6-12)25-23-21(32)19(30)17(28)9-34-23/h1-7,16-25,27-32H,8-9H2/t16-,17-,18-,19-,20-,21-,22+,23+/m1/s1
SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H22F2N2O5/c1-11(18(26)23-16-10-12(21)6-7-15(16)22)29-17(25)8-9-24-19(27)13-4-2-3-5-14(13)20(24)28/h6-7,10-11,13-14H,2-5,8-9H2,1H3,(H,23,26)/t11-,13-,14+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C39H39O7P/c1-30-36(40-27-31-17-7-2-8-18-31)37(41-28-32-19-9-3-10-20-32)38(42-29-33-21-11-4-12-22-33)39(43-30)46-47(44-34-23-13-5-14-24-34)45-35-25-15-6-16-26-35/h2-26,30,36-39H,27-29H2,1H3/t30-,36+,37+,38-,39+/m0/s1
SMILES: CCCCOC1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)NC3=CC=CC=C3
InChI: InChI=1S/C22H25N3O3/c1-3-4-14-28-18-12-10-16(11-13-18)20-19(15(2)23-22(27)25-20)21(26)24-17-8-6-5-7-9-17/h5-13,19-20H,2-4,14H2,1H3,(H,24,26)(H2,23,25,27)/t19-,20+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1CN3[C@@H]([C@@H]4CC=C[C@@H]4C5=CC(=CC2=C53)[N+](=O)[O-])C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C24H21N3O4/c28-26(29)16-6-1-4-14(10-16)23-20-9-3-8-19(20)22-12-17(27(30)31)11-21-18-7-2-5-15(18)13-25(23)24(21)22/h1-4,6-8,10-12,15,18-20,23H,5,9,13H2/t15-,18+,19+,20-,23-/m1/s1
SMILES: CC(=O)N(CC[C@H]1CC(OC[C@H]1C2=CC=CC=C2)(C)C)CC3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C26H35NO4/c1-19(28)27(17-20-11-12-24(29-4)25(15-20)30-5)14-13-22-16-26(2,3)31-18-23(22)21-9-7-6-8-10-21/h6-12,15,22-23H,13-14,16-18H2,1-5H3/t22-,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)CCCO[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC)CO)OCC5=CC=CC=C5)OCC6=CC=CC=C6)Br)OC(=O)C)C7=CC=CC=C7
InChI: InChI=1S/C50H54BrNO12/c1-32-43(37-23-14-7-15-24-37)64-50(56)52(32)48(55)38(27-34-17-8-4-9-18-34)44(61-33(2)54)41-28-39(51)40(62-41)25-16-26-58-47-46(60-31-36-21-12-6-13-22-36)45(42(29-53)63-49(47)57-3)59-30-35-19-10-5-11-20-35/h4-15,17-24,28,32,38,42-47,49,53H,16,25-27,29-31H2,1-3H3/t32-,38-,42-,43-,44-,45-,46+,47+,49+/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)CO
InChI: InChI=1S/C54H58O11/c55-31-45-47(57-33-39-19-7-1-8-20-39)49(59-35-41-23-11-3-12-24-41)51(61-37-43-27-15-5-16-28-43)53(63-45)65-54-52(62-38-44-29-17-6-18-30-44)50(60-36-42-25-13-4-14-26-42)48(46(32-56)64-54)58-34-40-21-9-2-10-22-40/h1-30,45-56H,31-38H2/t45-,46-,47-,48-,49+,50+,51-,52-,53-,54-/m1/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]2[C@@H](COC(O2)(C)C)O[C@@H]1OCC3=CC=CC=C3)O
InChI: InChI=1S/C18H25NO6/c1-11(20)19-14-15(21)16-13(10-23-18(2,3)25-16)24-17(14)22-9-12-7-5-4-6-8-12/h4-8,13-17,21H,9-10H2,1-3H3,(H,19,20)/t13-,14+,15-,16+,17+/m1/s1
SMILES: CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)C#N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H42N4O5Si2/c1-16(29)26-19-12-13-28(22(30)27-19)21-20(33-35(10,11)24(5,6)7)17(14-25)18(32-21)15-31-34(8,9)23(2,3)4/h12-13,17-18,20-21H,15H2,1-11H3,(H,26,27,29,30)/t17-,18+,20+,21+/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C41H78O13S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(54-41)33-52-55(47,48)49)53-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)/t34?,35-,38-,39+,40-,41+/m1/s1
SMILES: CC1=C(C(=CC=C1)C)OP(OC[C@H]2[C@@H](OC(=N2)C)C3=CC=CC=C3)OC4=C(C=CC=C4C)C
InChI: InChI=1S/C27H30NO4P/c1-18-11-9-12-19(2)25(18)31-33(32-26-20(3)13-10-14-21(26)4)29-17-24-27(30-22(5)28-24)23-15-7-6-8-16-23/h6-16,24,27H,17H2,1-5H3/t24-,27-/m0/s1
SMILES: C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)OS(=O)(=O)O
InChI: InChI=1S/C18H18O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h2-5,10,16H,6-9H2,1H3,(H,20,21,22)/t16-,18-/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCCC(=O)NC3=CC=CC=C3C(=O)N
InChI: InChI=1S/C19H21N3O4/c20-17(24)14-8-3-4-9-15(14)21-16(23)10-5-11-22-18(25)12-6-1-2-7-13(12)19(22)26/h1-4,8-9,12-13H,5-7,10-11H2,(H2,20,24)(H,21,23)/t12-,13-/m1/s1
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)CC(C(C[C@H](/C=C/C=C/4\CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)(C)O)O)O[C@@H]1C
InChI: InChI=1S/C31H45NO9/c1-17-7-6-8-21-16-38-27-26(32-37)19(3)11-24(31(21,27)36)28(34)39-23-12-22(13-25(33)29(5,35)14-17)41-30(15-23)10-9-18(2)20(4)40-30/h6-8,11,17-18,20,22-25,27,33,35-37H,9-10,12-16H2,1-5H3/b7-6+,21-8+,32-26-/t17-,18-,20+,22-,23-,24-,25?,27+,29?,30-,31+/m0/s1
SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)NC(=O)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C30H43Cl3N6O17/c1-11(35-29(51)53-10-30(31,32)33)24(46)37-17(25(47)38-18(8-40)26(48)34-12(2)28(49)50)7-20(45)39-27-21(36-13(3)41)23(55-16(6)44)22(54-15(5)43)19(56-27)9-52-14(4)42/h11-12,17-19,21-23,27,40H,7-10H2,1-6H3,(H,34,48)(H,35,51)(H,36,41)(H,37,46)(H,38,47)(H,39,45)(H,49,50)/t11-,12-,17-,18-,19+,21+,22+,23+,27+/m0/s1
SMILES: COC(=O)C1=CC=CC2=C1N[C@H]([C@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)Br
InChI: InChI=1S/C20H18BrNO2/c1-24-20(23)17-7-3-6-16-14-4-2-5-15(14)18(22-19(16)17)12-8-10-13(21)11-9-12/h2-4,6-11,14-15,18,22H,5H2,1H3/t14-,15+,18-/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)CN2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC(=C4)C)C)N=N2)C
InChI: InChI=1S/C22H23N5O3/c1-12-7-13(2)9-17(8-12)27-21(29)19-20(22(27)30)26(25-24-19)11-18(28)23-16-6-5-14(3)15(4)10-16/h5-10,19-20H,11H2,1-4H3,(H,23,28)/t19-,20-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3C(C)C
InChI: InChI=1S/C20H27N3O3/c1-13(2)15-9-4-5-10-16(15)21-17(24)12-23-18(25)20(22-19(23)26)11-7-6-8-14(20)3/h4-5,9-10,13-14H,6-8,11-12H2,1-3H3,(H,21,24)(H,22,26)/t14-,20+/m0/s1
SMILES: CC1([C@@H]([C@H](C2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)CC3=CC=C(C=C3)OC)OC4=CC=CC=C4)O)C
InChI: InChI=1S/C26H26N2O7/c1-26(2)25(30)24(34-18-7-5-4-6-8-18)19-14-20(21(28(31)32)15-22(19)35-26)27-23(29)13-16-9-11-17(33-3)12-10-16/h4-12,14-15,24-25,30H,13H2,1-3H3,(H,27,29)/t24-,25+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@H]3[C@@]1(NC(=O)N3)O)NC(=O)C4=CC=C(N24)Br
InChI: InChI=1S/C11H11BrN4O3/c12-6-2-1-4-9(17)13-7-5(16(4)6)3-11(19)8(7)14-10(18)15-11/h1-2,5,7-8,19H,3H2,(H,13,17)(H2,14,15,18)/t5-,7-,8+,11+/m1/s1
SMILES: CN1CCN(CC1)C(=O)[C@H]2[C@@H](C2=C)C(=O)N3CCN(CC3)C
InChI: InChI=1S/C16H26N4O2/c1-12-13(15(21)19-8-4-17(2)5-9-19)14(12)16(22)20-10-6-18(3)7-11-20/h13-14H,1,4-11H2,2-3H3/t13-,14-/m1/s1
SMILES: C[C@H](C1=CC=CC2=CC=CC=C21)OP3N([C@@H]4CCCC[C@H]4N3C)C
InChI: InChI=1S/C20H27N2OP/c1-15(17-12-8-10-16-9-4-5-11-18(16)17)23-24-21(2)19-13-6-7-14-20(19)22(24)3/h4-5,8-12,15,19-20H,6-7,13-14H2,1-3H3/t15-,19-,20-/m1/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3)Cl
InChI: InChI=1S/C16H16ClNO3/c1-7-2-3-9(6-11(7)17)18-15(19)13-8-4-10-12(5-8)21-16(20)14(10)13/h2-3,6,8,10,12-14H,4-5H2,1H3,(H,18,19)/t8-,10+,12-,13+,14+/m1/s1
SMILES: C1CCC(C1)C2=NC(=NC=C2)N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C23H26N4O5/c28-22(14-5-6-18-19(9-14)32-12-31-18)25-16-10-29-21-17(11-30-20(16)21)27-23-24-8-7-15(26-23)13-3-1-2-4-13/h5-9,13,16-17,20-21H,1-4,10-12H2,(H,25,28)(H,24,26,27)/t16-,17-,20+,21+/m0/s1
SMILES: CC[C@@]12CCN([C@H]([C@H]1OC(=O)C)CC3=C2C=C(C=C3)OC(=O)C)C.Cl
InChI: InChI=1S/C19H25NO4.ClH/c1-5-19-8-9-20(4)17(18(19)24-13(3)22)10-14-6-7-15(11-16(14)19)23-12(2)21;/h6-7,11,17-18H,5,8-10H2,1-4H3;1H/t17-,18+,19-;/m0./s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=CC(=C(C(=C7)Br)O)OC)C8=CC=CC=C8)C9=CC(=CC=C9)Cl)OC)OC
InChI: InChI=1S/C44H38BrClN6O9/c1-48-33-22-35(60-3)34(59-2)21-31(33)47-30(40(48)55)14-15-49-42(57)50-16-13-27-32(52(50)43(49)58)20-28-39(54)51(26-12-8-11-25(46)19-26)41(56)44(28,24-9-6-5-7-10-24)37(27)23-17-29(45)38(53)36(18-23)61-4/h5-13,17-19,21-22,28,32,37,53H,14-16,20H2,1-4H3/t28-,32+,37-,44+/m0/s1
SMILES: CC1=C2CN([C@H](C[C@H]2[C@@H]3[C@H](C1)C(=O)OC3=O)C4=CC=CO4)C(=O)OC
InChI: InChI=1S/C18H19NO6/c1-9-6-11-15(17(21)25-16(11)20)10-7-13(14-4-3-5-24-14)19(8-12(9)10)18(22)23-2/h3-5,10-11,13,15H,6-8H2,1-2H3/t10-,11+,13-,15-/m1/s1
SMILES: CC(=O)[C@@]12[C@]3(CC[C@@H]4[C@H]([C@H]3C[C@@]1(O2)C)CCC5=CC(=O)CC[C@]45C)C
InChI: InChI=1S/C22H30O3/c1-13(23)22-20(3)10-8-17-16(18(20)12-21(22,4)25-22)6-5-14-11-15(24)7-9-19(14,17)2/h11,16-18H,5-10,12H2,1-4H3/t16-,17-,18-,19+,20+,21+,22-/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)OC)O)O)O
InChI: InChI=1S/C24H26O10/c1-13(25)15-5-7-16(8-6-15)33-24-23(30)22(29)21(28)19(34-24)12-32-20(27)10-4-14-3-9-17(26)18(11-14)31-2/h3-11,19,21-24,26,28-30H,12H2,1-2H3/b10-4+/t19-,21-,22+,23-,24-/m1/s1
SMILES: C1=CC=C(C=C1)[C@]2([C@H]([C@@H]([C@@H](C(=O)N2)C(=O)N)C3=CSC=C3)C#N)O
InChI: InChI=1S/C17H15N3O3S/c18-8-12-13(10-6-7-24-9-10)14(15(19)21)16(22)20-17(12,23)11-4-2-1-3-5-11/h1-7,9,12-14,23H,(H2,19,21)(H,20,22)/t12-,13-,14+,17+/m0/s1
SMILES: C1[C@@H]2[C@H](OC3=CC=CC=C3[C@@H]2OC4=CC=CC=C41)C5=CC=CC=C5
InChI: InChI=1S/C22H18O2/c1-2-8-15(9-3-1)21-18-14-16-10-4-6-12-19(16)23-22(18)17-11-5-7-13-20(17)24-21/h1-13,18,21-22H,14H2/t18-,21-,22+/m1/s1
SMILES: C[C@]12CC3(C[C@H](O1)C[C@@H]2S(=O)(=O)C4=CC=CC=C4)OCCO3
InChI: InChI=1S/C16H20O5S/c1-15-11-16(19-7-8-20-16)10-12(21-15)9-14(15)22(17,18)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3/t12-,14+,15-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4
InChI: InChI=1S/C23H26N4O/c28-23(26-15-5-7-18-6-1-3-9-21(18)26)19-13-11-17(12-14-19)16-27-22-10-4-2-8-20(22)24-25-27/h2,4,8,10-14,18,21H,1,3,5-7,9,15-16H2/t18-,21-/m0/s1
SMILES: CN1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C(=O)O)(C#N)C#N)C3=CC=NC=C3
InChI: InChI=1S/C18H17N5O2/c1-23-7-4-12-13(8-23)15(11-2-5-22-6-3-11)18(9-19,10-20)16(21)14(12)17(24)25/h2-6,13-15,21H,7-8H2,1H3,(H,24,25)/t13-,14?,15-/m0/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)C(=CC(=O)[C@]4([C@H]3C5=CC(=C(C(=C5)I)O)OC)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C36H30INO6/c1-38-34(42)23-14-13-22-25(30(23)35(38)43)17-26-32(40)24(19-9-5-3-6-10-19)18-29(39)36(26,21-11-7-4-8-12-21)31(22)20-15-27(37)33(41)28(16-20)44-2/h3-13,15-16,18,23,25-26,30-31,41H,14,17H2,1-2H3/t23-,25+,26-,30-,31-,36-/m0/s1
SMILES: C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C18H20O8/c19-7-13-14(20)15(21)16(22)18(26-13)24-8-4-5-10-9-2-1-3-11(9)17(23)25-12(10)6-8/h4-6,13-16,18-22H,1-3,7H2/t13-,14-,15+,16-,18-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H](C(=C)[C@@H]([C@H](O3)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C38H44O5Si/c1-29-35(40-26-30-18-10-6-11-19-30)34(43-37(39-5)36(29)41-27-31-20-12-7-13-21-31)28-42-44(38(2,3)4,32-22-14-8-15-23-32)33-24-16-9-17-25-33/h6-25,34-37H,1,26-28H2,2-5H3/t34-,35+,36+,37+/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)NC(=O)CCCC(=O)O)CN(C)CC4=CC=CC=C4
InChI: InChI=1S/C32H38N2O6/c1-22-28(20-34(2)19-23-7-4-3-5-8-23)39-32(40-31(22)25-13-11-24(21-35)12-14-25)26-15-17-27(18-16-26)33-29(36)9-6-10-30(37)38/h3-5,7-8,11-18,22,28,31-32,35H,6,9-10,19-21H2,1-2H3,(H,33,36)(H,37,38)/t22-,28+,31+,32+/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC=C(C=C3)C(F)(F)F)CC4=CC=C(C=C4)C(F)(F)F)CC5=CC=CC=C5)O)O
InChI: InChI=1S/C35H32F6N2O3/c36-34(37,38)27-15-11-25(12-16-27)21-42-29(19-23-7-3-1-4-8-23)31(44)32(45)30(20-24-9-5-2-6-10-24)43(33(42)46)22-26-13-17-28(18-14-26)35(39,40)41/h1-18,29-32,44-45H,19-22H2/t29-,30-,31+,32+/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4([C@@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C
InChI: InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16+,17+,19+,20+,21-,22+/m1/s1
SMILES: CC1=CC[C@@H](OC1=O)[C@H](C)C2=CC[C@]3([C@@H]4C[C@H]([C@@H]5[C@@]6(C=CC(=O)OC5(C)C)[C@@H]([C@]4(C[C@H]3C2=C)O)O6)O)C
InChI: InChI=1S/C30H38O7/c1-15-7-8-21(35-25(15)33)17(3)18-9-11-28(6)19(16(18)2)14-29(34)22(28)13-20(31)24-27(4,5)36-23(32)10-12-30(24)26(29)37-30/h7,9-10,12,17,19-22,24,26,31,34H,2,8,11,13-14H2,1,3-6H3/t17-,19+,20-,21-,22+,24+,26-,28-,29-,30+/m1/s1
SMILES: COC1=C(C=C2C(=C1)N=CC(=N2)N[C@@H]3C[C@H]4C[C@@H]3C[C@H]4O)OC
InChI: InChI=1S/C17H21N3O3/c1-22-15-6-12-13(7-16(15)23-2)20-17(8-18-12)19-11-4-10-3-9(11)5-14(10)21/h6-11,14,21H,3-5H2,1-2H3,(H,19,20)/t9-,10-,11-,14-/m1/s1
SMILES: CCC1=CN(N=C1)[C@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)N[C@@H](CC5=CC=CC=C5)CO)N
InChI: InChI=1S/C24H30N8O3/c1-2-14-10-27-32(11-14)18-9-17(20(34)21(18)35)31-13-26-19-22(25)29-24(30-23(19)31)28-16(12-33)8-15-6-4-3-5-7-15/h3-7,10-11,13,16-18,20-21,33-35H,2,8-9,12H2,1H3,(H3,25,28,29,30)/t16-,17+,18-,20-,21+/m0/s1