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=C(C=C5)C=CC6CCC7C(C6)O7)C(=O)N(C)[C@H](CC8=CC=CC=C8)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C54H75N3O11/c1-7-9-14-28-53(29-15-10-8-2)66-45-43-32-54(51(62)56(6)40(30-36-16-12-11-13-17-36)49(60)55-39(34-58)25-27-44(59)65-52(3,4)5)47(50(61)64-43)57(68-48(54)46(45)67-53)33-38-22-19-35(20-23-38)18-21-37-24-26-41-42(31-37)63-41/h11-13,16-23,37,39-43,45-48,58H,7-10,14-15,24-34H2,1-6H3,(H,55,60)/t37?,39-,40+,41?,42?,43+,45-,46-,47-,48+,54-/m0/s1
SMILES: CC1=C(C[C@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C=C2CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[Si](C)(C)C)C
InChI: InChI=1S/C42H80O3Si3/c1-31(21-19-27-41(9,10)45-46(12,13)14)36-25-26-37-33(22-20-28-42(36,37)11)23-24-34-29-35(43-47(15,16)39(3,4)5)30-38(32(34)2)44-48(17,18)40(6,7)8/h24,31,35-38H,19-22,25-30H2,1-18H3/t23?,31-,35-,36-,37+,38+,42-/m1/s1
SMILES: CCOC(=O)C1=C([C@H]2[C@@H]1[C@@H]3C4=CC=CC=C4[C@H]2O3)[Si](C)(C)C
InChI: InChI=1S/C18H22O3Si/c1-5-20-18(19)14-12-13(17(14)22(2,3)4)16-11-9-7-6-8-10(11)15(12)21-16/h6-9,12-13,15-16H,5H2,1-4H3/t12-,13-,15-,16+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=CC=C3Br)C4=CC=C(C=C4)C(=O)[O-]
InChI: InChI=1S/C19H16BrNO2/c20-16-6-2-5-15-13-3-1-4-14(13)17(21-18(15)16)11-7-9-12(10-8-11)19(22)23/h1-3,5-10,13-14,17,21H,4H2,(H,22,23)/p-1/t13-,14+,17-/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)Br)O
InChI: InChI=1S/C30H21Br2NO8/c1-41-22-9-13(8-19(31)27(22)36)23-15-5-6-16-24(17(15)10-18-25(23)21(34)11-20(32)26(18)35)29(38)33(28(16)37)14-4-2-3-12(7-14)30(39)40/h2-5,7-9,11,16-17,23-24,36H,6,10H2,1H3,(H,39,40)/t16-,17+,23-,24-/m0/s1
SMILES: CC1=CC[C@H]([C@@H]([C@H]1O)CCOC(=O)C(C)(C)C)C(=C)C
InChI: InChI=1S/C17H28O3/c1-11(2)13-8-7-12(3)15(18)14(13)9-10-20-16(19)17(4,5)6/h7,13-15,18H,1,8-10H2,2-6H3/t13-,14-,15-/m0/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(C4=CC(=O)CC[C@]34C)[125I])C)O
InChI: InChI=1S/C21H29IO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10,14-16,18,25H,4-9,11H2,1-3H3/t14-,15+,16+,18?,19-,20+,21+/m1/s1/i22-2
SMILES: C[C@@H]1C[C@H]([C@H]2[C@@](CCC[C@@]2([C@]1(CCC3=COC=C3)O)C)(C)C(=O)O)O
InChI: InChI=1S/C20H30O5/c1-13-11-15(21)16-18(2,17(22)23)7-4-8-19(16,3)20(13,24)9-5-14-6-10-25-12-14/h6,10,12-13,15-16,21,24H,4-5,7-9,11H2,1-3H3,(H,22,23)/t13-,15-,16+,18+,19+,20-/m1/s1
SMILES: CC1=CC2=C(C=C1Br)[C@@H]([C@@](CO2)(CN3CCOCC3)N4CCOCC4)O
InChI: InChI=1S/C19H27BrN2O4/c1-14-10-17-15(11-16(14)20)18(23)19(13-26-17,22-4-8-25-9-5-22)12-21-2-6-24-7-3-21/h10-11,18,23H,2-9,12-13H2,1H3/t18-,19-/m0/s1
SMILES: CC(C)(C)[C@@H]1COC(=N1)[C@@H]2C=CC3=CC4=C(C=C3[C@H]2C5=CC(=C(C(=C5)OC)OC)OC)OCO4
InChI: InChI=1S/C27H31NO6/c1-27(2,3)23-13-32-26(28-23)17-8-7-15-9-19-20(34-14-33-19)12-18(15)24(17)16-10-21(29-4)25(31-6)22(11-16)30-5/h7-12,17,23-24H,13-14H2,1-6H3/t17-,23+,24+/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC(=O)NC5=C(C=C(C=C5)OC)OC)CCCCO)CCCCO)OCC=C)N(CC6=CC7=C(C=C6)OCO7)C(=O)OCCCl
InChI: InChI=1S/C51H64ClN3O13/c1-7-23-65-51-45(55(49(59)62-24-20-52)30-32-14-18-42-44(25-32)64-31-63-42)29-40(54-68-50(2,3)4)37-26-33(12-8-10-21-56)36(13-9-11-22-57)46(47(37)51)38-27-35(16-19-41(38)67-51)66-48(58)53-39-17-15-34(60-5)28-43(39)61-6/h7,14-19,25-28,33,36,45-47,56-57H,1,8-13,20-24,29-31H2,2-6H3,(H,53,58)/t33-,36+,45-,46+,47+,51+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)OC(F)(F)F)O)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9
InChI: InChI=1S/C46H32ClF4N3O7/c47-27-10-8-26(9-11-27)45-36(42(58)54(44(45)60)52-29-14-12-28(48)13-15-29)23-34-32(39(45)35-22-31(18-21-37(35)55)61-46(49,50)51)19-20-33-38(34)43(59)53(41(33)57)30-16-6-25(7-17-30)40(56)24-4-2-1-3-5-24/h1-19,21-22,33-34,36,38-39,52,55H,20,23H2/t33-,34+,36-,38-,39+,45+/m0/s1
SMILES: CCOCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)C=O)C(=O)NCCO)C(=O)C4CCC4
InChI: InChI=1S/C27H36N2O8/c1-3-36-11-5-9-29(27(34)17-6-4-7-17)20-14-19(26(33)28-8-10-30)22-18-12-16(15-31)13-21(35-2)24(18)37-25(22)23(20)32/h12-15,17,20,22-23,25,30,32H,3-11H2,1-2H3,(H,28,33)/t20-,22+,23+,25+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@@H]2CC(=O)OCC(=O)NC3=C(C=CC=C3Cl)Cl
InChI: InChI=1S/C17H19Cl2NO3/c18-13-2-1-3-14(19)17(13)20-15(21)9-23-16(22)8-12-7-10-4-5-11(12)6-10/h1-3,10-12H,4-9H2,(H,20,21)/t10-,11+,12-/m1/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2C(=O)NCC4=CC=CS4)CC[C@@H]5[C@@]3(C[C@H](C(=O)N5C)F)C
InChI: InChI=1S/C25H35FN2O2S/c1-24-11-10-18-16(6-9-21-25(18,2)13-20(26)23(30)28(21)3)17(24)7-8-19(24)22(29)27-14-15-5-4-12-31-15/h4-5,12,16-21H,6-11,13-14H2,1-3H3,(H,27,29)/t16?,17-,18?,19+,20+,21+,24-,25+/m0/s1
SMILES: CC1([C@H]([C@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C(C(Cl)(Cl)Br)Br)C
InChI: InChI=1S/C21H20Br2Cl2O3/c1-20(2)16(18(22)21(23,24)25)17(20)19(26)27-12-13-7-6-10-15(11-13)28-14-8-4-3-5-9-14/h3-11,16-18H,12H2,1-2H3/t16-,17+,18?/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)SP(=O)(OC)OC
InChI: InChI=1S/C32H35N2O8PS/c1-22-20-34(31(36)33-30(22)35)29-19-28(44-43(37,39-3)40-4)27(42-29)21-41-32(23-11-7-5-8-12-23,24-13-9-6-10-14-24)25-15-17-26(38-2)18-16-25/h5-18,20,27-29H,19,21H2,1-4H3,(H,33,35,36)/t27-,28+,29-/m1/s1
SMILES: CCCCCC[C@@H]\1[C@@H](CC/C1=N\NC(=O)C2=CC=CC=C2)C(=O)OC
InChI: InChI=1S/C20H28N2O3/c1-3-4-5-9-12-16-17(20(24)25-2)13-14-18(16)21-22-19(23)15-10-7-6-8-11-15/h6-8,10-11,16-17H,3-5,9,12-14H2,1-2H3,(H,22,23)/b21-18+/t16-,17-/m1/s1
SMILES: CON=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)SC)CCCCO)CCCCO)OCC=C)N(CCOCCO)C(=O)CCC6CCCC6
InChI: InChI=1S/C47H66N2O9S/c1-4-27-56-47-43(49(23-28-55-29-26-52)44(53)22-15-33-11-5-6-12-33)32-41(48-54-2)39-30-34(13-7-9-24-50)38(14-8-10-25-51)45(46(39)47)40-31-36(18-21-42(40)58-47)57-35-16-19-37(59-3)20-17-35/h4,16-21,30-31,33-34,38,43,45-46,50-52H,1,5-15,22-29,32H2,2-3H3/t34-,38+,43-,45+,46+,47+/m0/s1
SMILES: C/C(=C\C1=CC(=C(C=C1)O)O)/C(=O)N[C@@H]2[C@@H]([C@H]([C@@H]3[C@H]([C@@H]2O)OCO3)O)O
InChI: InChI=1S/C17H21NO8/c1-7(4-8-2-3-9(19)10(20)5-8)17(24)18-11-12(21)14(23)16-15(13(11)22)25-6-26-16/h2-5,11-16,19-23H,6H2,1H3,(H,18,24)/b7-4+/t11-,12+,13-,14-,15+,16-/m1/s1
SMILES: C1CCC(CC1)CNC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
InChI: InChI=1S/C16H23NO3/c18-15(17-9-10-4-2-1-3-5-10)13-11-6-7-12(8-11)14(13)16(19)20/h6-7,10-14H,1-5,8-9H2,(H,17,18)(H,19,20)/p-1/t11-,12+,13+,14+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4
InChI: InChI=1S/C23H25N3O3S/c1-16-8-5-6-11-19(16)24-21(27)15-29-23(28)18-14-26(17-9-3-2-4-10-17)25-22(18)20-12-7-13-30-20/h2-4,7,9-10,12-14,16,19H,5-6,8,11,15H2,1H3,(H,24,27)/t16-,19+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC23[C@@]1(CC[C@H]4[C@@]2(O3)C(=O)C[C@@H]5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C
InChI: InChI=1S/C29H46O4/c1-18(2)8-7-9-19(3)23-11-15-28-27(23,6)14-12-24-26(5)13-10-22(32-20(4)30)16-21(26)17-25(31)29(24,28)33-28/h18-19,21-24H,7-17H2,1-6H3/t19-,21-,22+,23-,24-,26+,27-,28?,29-/m1/s1
SMILES: CC1=C(C=CC(=C1)Cl)NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C17H19ClN2O3/c1-10-8-11(18)6-7-14(10)19-15(21)9-20-16(22)12-4-2-3-5-13(12)17(20)23/h6-8,12-13H,2-5,9H2,1H3,(H,19,21)/t12-,13-/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H]2OCC3=CC=C(C=C3)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O
InChI: InChI=1S/C35H38O7/c1-37-29-17-13-27(14-18-29)23-40-33-31(36)32(39-21-25-9-5-3-6-10-25)34(41-22-26-11-7-4-8-12-26)35(33)42-24-28-15-19-30(38-2)20-16-28/h3-20,31-36H,21-24H2,1-2H3/t31-,32+,33+,34-,35-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](N3C=CC4=CC=CC=C4[C@@H]3[C@]2(C#N)C(=O)OC)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C36H30N2O5/c1-41-28-19-17-25(18-20-28)30-31(34(39)43-32(26-12-5-3-6-13-26)27-14-7-4-8-15-27)38-22-21-24-11-9-10-16-29(24)33(38)36(30,23-37)35(40)42-2/h3-22,30-33H,1-2H3/t30-,31+,33-,36-/m1/s1
SMILES: CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)C
InChI: InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15+/m1/s1
SMILES: CCNC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C17H20N2O7/c1-2-18-17(21)26-13-7-23-14-10(6-22-15(13)14)19-16(20)9-3-4-11-12(5-9)25-8-24-11/h3-5,10,13-15H,2,6-8H2,1H3,(H,18,21)(H,19,20)/t10-,13+,14+,15+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OCC(CC(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)I)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C43H32ClF12IO10/c44-43(55,56)42(53,54)41(51,52)40(49,50)39(47,48)38(45,46)21-28(57)22-63-37-32(67-36(61)27-19-11-4-12-20-27)31(66-35(60)26-17-9-3-10-18-26)30(65-34(59)25-15-7-2-8-16-25)29(64-37)23-62-33(58)24-13-5-1-6-14-24/h1-20,28-32,37H,21-23H2/t28?,29-,30-,31+,32-,37?/m1/s1
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N)NC(=O)C(CC(C)C)CC(=O)NO
InChI: InChI=1S/C40H70N10O10S/c1-7-24(6)34(48-37(56)25(16-22(2)3)18-31(52)50-60)39(58)46-27(17-23(4)5)38(57)44-19-32(53)43-20-33(54)45-26(36(41)55)12-10-11-15-42-30(51)14-9-8-13-29-35-28(21-61-29)47-40(59)49-35/h22-29,34-35,60H,7-21H2,1-6H3,(H2,41,55)(H,42,51)(H,43,53)(H,44,57)(H,45,54)(H,46,58)(H,48,56)(H,50,52)(H2,47,49,59)/t24-,25?,26-,27-,28-,29-,34-,35-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C=C5)O)F)C(=O)N(C4=O)C6=CC=C(C=C6)Br)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C33H26BrFN2O5/c1-33-24(30(40)37(32(33)42)19-5-3-2-4-6-19)16-23-21(28(33)17-7-14-26(38)25(35)15-17)12-13-22-27(23)31(41)36(29(22)39)20-10-8-18(34)9-11-20/h2-12,14-15,22-24,27-28,38H,13,16H2,1H3/t22-,23+,24-,27-,28-,33+/m0/s1
SMILES: C1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)NC3=CN=CC=C3)C(=O)[O-]
InChI: InChI=1S/C13H14N2O4/c16-12(15-7-2-1-5-14-6-7)10-8-3-4-9(19-8)11(10)13(17)18/h1-2,5-6,8-11H,3-4H2,(H,15,16)(H,17,18)/p-1/t8-,9+,10-,11+/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2[C@]([C@H]3CCCCCC3=N2)(C(F)(F)F)O
InChI: InChI=1S/C21H27F3N2O3/c1-19(2,3)14-9-11-15(12-10-14)29-13-18(27)26-20(28,21(22,23)24)16-7-5-4-6-8-17(16)25-26/h9-12,16,28H,4-8,13H2,1-3H3/t16-,20-/m0/s1
SMILES: CC(C)(C)OC(=O)[C@H]([C@H](C1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)N(C2=O)CC3=CC=C(C=C3)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)NC(=O)CCCCCCCCCCN
InChI: InChI=1S/C46H80N4O10Si2/c1-44(2,3)58-42(54)36(48-34(51)23-21-19-17-15-16-18-20-22-29-47)37(53)38-39(59-61(11,12)45(4,5)6)40(60-62(13,14)46(7,8)9)41(57-38)49-30-28-35(52)50(43(49)55)31-32-24-26-33(56-10)27-25-32/h24-28,30,36-41,53H,15-23,29,31,47H2,1-14H3,(H,48,51)/t36-,37+,38?,39+,40+,41+/m0/s1
SMILES: CCCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)C3=C(C=C(C=C3)C)C
InChI: InChI=1S/C17H22N2O3S2/c1-4-5-16(20)18-17-19(13-7-6-11(2)8-12(13)3)14-9-24(21,22)10-15(14)23-17/h6-8,14-15H,4-5,9-10H2,1-3H3/t14-,15+/m1/s1
SMILES: C1CN2C[C@@H]([C@@H]1C[C@@H]2CN3C=C(N=N3)CCO)C(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C20H27N5O2/c26-9-7-17-12-25(23-22-17)13-18-10-16-6-8-24(18)14-19(16)20(27)21-11-15-4-2-1-3-5-15/h1-5,12,16,18-19,26H,6-11,13-14H2,(H,21,27)/t16-,18+,19-/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(C[C@H]([C@@H](C5(C)C)O)OC(=O)CN)C)C)C2[C@H]1C)C)C(=O)O
InChI: InChI=1S/C32H51NO5/c1-18-10-13-32(27(36)37)15-14-30(6)20(25(32)19(18)2)8-9-23-29(5)16-21(38-24(34)17-33)26(35)28(3,4)22(29)11-12-31(23,30)7/h8,18-19,21-23,25-26,35H,9-17,33H2,1-7H3,(H,36,37)/t18-,19+,21-,22?,23?,25?,26+,29+,30-,31-,32+/m1/s1
SMILES: CC1(O[C@H]2[C@H]3[C@H](O[C@@]([C@H]2O1)(C(=O)O3)N)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C16H29NO6Si/c1-14(2,3)24(6,7)19-8-9-10-11-12(23-15(4,5)22-11)16(17,21-9)13(18)20-10/h9-12H,8,17H2,1-7H3/t9-,10-,11+,12+,16+/m1/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C24H19ClN2O3/c25-18-11-7-10-17(14-18)21-20-22(30-27(21)19-12-5-2-6-13-19)24(29)26(23(20)28)15-16-8-3-1-4-9-16/h1-14,20-22H,15H2/t20-,21+,22-/m1/s1
SMILES: CC(C)(C)OC(=O)[C@H]1[C@@H](C2([C@H]3N1N=CC4=CC=CC=C34)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)OC
InChI: InChI=1S/C31H28N2O5/c1-30(2,3)38-29(36)25-24(18-13-15-20(37-4)16-14-18)31(27(34)22-11-7-8-12-23(22)28(31)35)26-21-10-6-5-9-19(21)17-32-33(25)26/h5-17,24-26H,1-4H3/t24-,25+,26-/m0/s1
SMILES: C[C@@H]1CC[C@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CCC4=COC=C4
InChI: InChI=1S/C20H26O3/c1-14-6-10-20-13-23-18(21)16(20)4-3-5-17(20)19(14,2)9-7-15-8-11-22-12-15/h4,8,11-12,14,17H,3,5-7,9-10,13H2,1-2H3/t14-,17+,19+,20+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)[C@H](N[C@H]3C4=CC=CC=C4O)C(=O)O
InChI: InChI=1S/C20H18N2O5/c1-10-6-8-11(9-7-10)22-18(24)14-15(19(22)25)17(20(26)27)21-16(14)12-4-2-3-5-13(12)23/h2-9,14-17,21,23H,1H3,(H,26,27)/t14-,15+,16+,17+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H32O6/c1-30-28-27(33-20-23-15-9-4-10-16-23)26(32-19-22-13-7-3-8-14-22)25(24(17-29)34-28)31-18-21-11-5-2-6-12-21/h2-16,24-29H,17-20H2,1H3/t24-,25+,26+,27-,28+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1C2C=C(C(=O)NC2=O)C3=CC=C(O3)Br)CO)O
InChI: InChI=1S/C14H14BrNO6/c15-12-2-1-9(22-12)6-3-7(14(20)16-13(6)19)10-4-8(18)11(5-17)21-10/h1-3,7-8,10-11,17-18H,4-5H2,(H,16,19,20)/t7?,8-,10+,11+/m0/s1
SMILES: CC1=NN=C(S1)SC[C@@H]2[C@H]([C@@H](OC(O2)C3=CC=C(C=C3)CNC(=O)C4=CC5=C(C=C4)C(=O)OC5=O)C6=CC=C(C=C6)CO)C7=CC=CC=C7
InChI: InChI=1S/C37H31N3O7S2/c1-21-39-40-37(49-21)48-20-30-31(24-5-3-2-4-6-24)32(25-11-9-23(19-41)10-12-25)46-36(45-30)26-13-7-22(8-14-26)18-38-33(42)27-15-16-28-29(17-27)35(44)47-34(28)43/h2-17,30-32,36,41H,18-20H2,1H3,(H,38,42)/t30-,31-,32+,36?/m1/s1
SMILES: C[C@@H]1C[C@@]23[C@@H]([C@H]([C@@H]1OC2=CC(=O)O3)O)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C17H28O5Si/c1-10-8-17-11(9-20-23(5,6)16(2,3)4)14(19)15(10)21-12(17)7-13(18)22-17/h7,10-11,14-15,19H,8-9H2,1-6H3/t10-,11-,14-,15-,17-/m1/s1
SMILES: CC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3[NH+]1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=C(C=C(C=C5)OC)OC
InChI: InChI=1S/C24H22N2O5/c1-13(27)21-19-20(22-16-7-5-4-6-14(16)10-11-25(21)22)24(29)26(23(19)28)17-9-8-15(30-2)12-18(17)31-3/h4-12,19-22H,1-3H3/p+1/t19-,20+,21-,22-/m1/s1
SMILES: COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O
InChI: InChI=1S/C34H42O21/c1-48-17-4-11(2-3-14(17)39)30-18(7-13-15(49-30)5-12(38)6-16(13)50-32-28(46)25(43)22(40)19(8-35)52-32)51-34-31(27(45)24(42)21(10-37)54-34)55-33-29(47)26(44)23(41)20(9-36)53-33/h2-7,19-29,31-37,40-47H,8-10H2,1H3,(H-,38,39)/p+1/t19-,20-,21-,22-,23-,24-,25+,26+,27+,28-,29-,31-,32-,33+,34-/m1/s1
SMILES: CCCCC(=O)O[C@H]1C[C@@H]2[C@](CC[C@H]3[C@]2(CO[C@H](O3)C4=CC=C(C=C4)[N+](=O)[O-])C)([C@@H]5[C@@]1(OC6=C([C@@H]5O)C(=O)OC(=C6)C7=CN=CC=C7)C)C
InChI: InChI=1S/C37H42N2O10/c1-5-6-9-29(40)47-28-18-26-35(2,15-14-27-36(26,3)20-45-34(48-27)21-10-12-23(13-11-21)39(43)44)32-31(41)30-25(49-37(28,32)4)17-24(46-33(30)42)22-8-7-16-38-19-22/h7-8,10-13,16-17,19,26-28,31-32,34,41H,5-6,9,14-15,18,20H2,1-4H3/t26-,27+,28+,31+,32-,34-,35+,36+,37-/m1/s1
SMILES: CC(C)(C)C(=O)OCCC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C=O)O[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)OCOCC2=CC=C(C=C2)OC
InChI: InChI=1S/C35H62O10Si2/c1-34(2,3)33(37)41-19-13-14-28-30(42-25-40-23-26-15-17-27(38-7)18-16-26)32(43-24-39-20-21-46(8,9)10)31(29(22-36)44-28)45-47(11,12)35(4,5)6/h15-18,22,28-32H,13-14,19-21,23-25H2,1-12H3/t28-,29-,30-,31+,32+/m1/s1
SMILES: CCCN1CC[C@@H]2[C@H]1CCC3=C2C(=CC=C3)[13C](=O)[14NH2]
InChI: InChI=1S/C16H22N2O/c1-2-9-18-10-8-12-14(18)7-6-11-4-3-5-13(15(11)12)16(17)19/h3-5,12,14H,2,6-10H2,1H3,(H2,17,19)/t12-,14-/m1/s1/i16+1,17+0
SMILES: CCOC(=O)C1(C[C@@H]2C[C@H]3C=C(C(=O)[C@]2(C1)O3)O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChI: InChI=1S/C22H34O7Si/c1-8-26-18(24)21(19(25)27-9-2)12-14-10-15-11-16(17(23)22(14,13-21)28-15)29-30(6,7)20(3,4)5/h11,14-15H,8-10,12-13H2,1-7H3/t14-,15-,22+/m0/s1
SMILES: C[C@H]1[C@H]2[C@H](C(=O)N(C2=O)C[C@H]3CCCO3)[C@]4(N1)C5=C(C(=CC=C5)Cl)NC4=O
InChI: InChI=1S/C19H20ClN3O4/c1-9-13-14(17(25)23(16(13)24)8-10-4-3-7-27-10)19(22-9)11-5-2-6-12(20)15(11)21-18(19)26/h2,5-6,9-10,13-14,22H,3-4,7-8H2,1H3,(H,21,26)/t9-,10+,13-,14+,19+/m0/s1
SMILES: C(C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)COP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C9H21O15P3.6Na/c10-4-6-8(23-26(15,16)17)9(24-27(18,19)20)7(11)5(22-6)2-1-3-21-25(12,13)14;;;;;;/h5-11H,1-4H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;/q;6*+1/p-6/t5-,6-,7+,8-,9-;;;;;;/m1....../s1
SMILES: CCSC1=NN2[C@@H]([C@H]3C(=O)CCC=C3NC2=N1)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C17H17N5O3S/c1-2-26-17-19-16-18-11-7-5-9-13(23)14(11)15(21(16)20-17)10-6-3-4-8-12(10)22(24)25/h3-4,6-8,14-15H,2,5,9H2,1H3,(H,18,19,20)/t14-,15-/m1/s1
SMILES: CCCCC1=CC=C(S1)[C@H]2[C@@H]3CCCC=C3[C@H](C(=N)C2(C#N)C#N)C#N
InChI: InChI=1S/C21H22N4S/c1-2-3-6-14-9-10-18(26-14)19-16-8-5-4-7-15(16)17(11-22)20(25)21(19,12-23)13-24/h7,9-10,16-17,19,25H,2-6,8H2,1H3/t16-,17-,19-/m1/s1
SMILES: CCOC(=O)C1=COC(=N1)C#C/C=C/[C@H]2[C@@H](OC(O2)(C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H33NO6Si/c1-9-25-20(24)16-14-26-19(23-16)13-11-10-12-17-18(29-22(5,6)28-17)15-27-30(7,8)21(2,3)4/h10,12,14,17-18H,9,15H2,1-8H3/b12-10+/t17-,18-/m0/s1
SMILES: COC(=O)[C@H]1[C@@H]2C3=CC=CC=C3[C@]([C@@H]1C(=O)OC)(O2)SC
InChI: InChI=1S/C15H16O5S/c1-18-13(16)10-11(14(17)19-2)15(21-3)9-7-5-4-6-8(9)12(10)20-15/h4-7,10-12H,1-3H3/t10-,11+,12+,15+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NS(=O)(=O)C2=C(C(=C(C=C2)F)F)F
InChI: InChI=1S/C14H18F3NO2S/c1-8-4-3-5-11(9(8)2)18-21(19,20)12-7-6-10(15)13(16)14(12)17/h6-9,11,18H,3-5H2,1-2H3/t8-,9-,11+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]4C[C@@H]4[C@@]25CCC(=O)O5)[C@@H](CC6=CC(=O)C=C[C@]36C)SC
InChI: InChI=1S/C24H30O3S/c1-22-7-4-14(25)10-13(22)11-18(28-3)20-16(22)5-8-23(2)21(20)15-12-17(15)24(23)9-6-19(26)27-24/h4,7,10,15-18,20-21H,5-6,8-9,11-12H2,1-3H3/t15-,16+,17+,18-,20+,21+,22+,23+,24+/m1/s1
SMILES: CC(C)[C@@](CC[C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CCC5[C@]3(C4)[C@H](C[C@@H]([C@@]5(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C)C)O)(CO)O
InChI: InChI=1S/C37H62O12/c1-19(2)36(47,18-39)14-12-33(5,46)21-9-10-31(3)22-7-8-23-34(6,30(45)49-29-28(44)27(43)26(42)20(16-38)48-29)24(40)15-25(41)37(23)17-35(22,37)13-11-32(21,31)4/h19-29,38-44,46-47H,7-18H2,1-6H3/t20-,21+,22+,23?,24+,25+,26-,27+,28-,29+,31+,32-,33+,34+,35+,36-,37-/m1/s1
SMILES: COC(=O)[C@]1([C@@H]2C=CC3=CC=CC=C3N2[C@@H]([C@H]1C4=CC=C(C=C4)[N+](=O)[O-])C(=O)NC5=CC=CC=C5)C#N
InChI: InChI=1S/C28H22N4O5/c1-37-27(34)28(17-29)23-16-13-18-7-5-6-10-22(18)31(23)25(26(33)30-20-8-3-2-4-9-20)24(28)19-11-14-21(15-12-19)32(35)36/h2-16,23-25H,1H3,(H,30,33)/t23-,24+,25-,28-/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)O)C
InChI: InChI=1S/C25H22N2O4/c1-15-8-13-20(16(2)14-15)26-24(29)21-22(17-9-11-19(28)12-10-17)27(31-23(21)25(26)30)18-6-4-3-5-7-18/h3-14,21-23,28H,1-2H3/t21-,22-,23+/m1/s1
SMILES: CC(=O)OC/C=C(\CO)/C(=O)O[C@H]1C[C@]2([C@@H](CC[C@@H](C2[C@@H]3[C@@H]1C(=C)C(=O)O3)C=O)O)C
InChI: InChI=1S/C22H28O9/c1-11-17-15(30-21(28)14(10-24)6-7-29-12(2)25)8-22(3)16(26)5-4-13(9-23)18(22)19(17)31-20(11)27/h6,9,13,15-19,24,26H,1,4-5,7-8,10H2,2-3H3/b14-6+/t13-,15+,16-,17-,18?,19+,22+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)O)C4=CC=CC=C4
InChI: InChI=1S/C19H17NO2/c21-19(22)13-9-10-17-16(11-13)14-7-4-8-15(14)18(20-17)12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20H,8H2,(H,21,22)/t14-,15-,18-/m0/s1
SMILES: CCOC(=O)[C@@H]1CC[C@@]23N1C(=O)[C@@](O2)([C@@H]4[C@H]3C(=O)N(C4=O)C5=CC=CC=C5)C(=O)OCC
InChI: InChI=1S/C22H22N2O8/c1-3-30-18(27)13-10-11-21-14-15(17(26)23(16(14)25)12-8-6-5-7-9-12)22(32-21,19(28)24(13)21)20(29)31-4-2/h5-9,13-15H,3-4,10-11H2,1-2H3/t13-,14-,15+,21+,22-/m0/s1
SMILES: CCCCCCCCCCCCCCC/C(=C/C(=O)O[C@H]1[C@H]2[C@@H](COC3(O2)CCCCC3)O[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)O[C@@H]4[C@H]5[C@H]([C@H]6[C@H](O4)COC7(O6)CCCCC7)OC8(O5)CCCCC8)/C
InChI: InChI=1S/C65H110O13/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-39-50(3)47-54(67)73-57-55-51(48-68-63(75-55)41-33-28-34-42-63)70-61(59(57)72-53(66)40-32-27-25-23-21-19-17-15-13-11-9-7-5-2)74-62-60-58(77-65(78-60)45-37-30-38-46-65)56-52(71-62)49-69-64(76-56)43-35-29-36-44-64/h47,51-52,55-62H,4-46,48-49H2,1-3H3/b50-47+/t51-,52-,55-,56-,57+,58+,59-,60-,61-,62-/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)NC5=CC=C(C=C5)OC6=CC=CC=C6)CN7C=NC(=C7Cl)Cl
InChI: InChI=1S/C42H38Cl2N4O5/c1-27-37(24-48-26-46-39(43)40(48)44)52-41(53-38(27)30-13-11-28(25-49)12-14-30)31-17-15-29(16-18-31)36-10-6-5-7-32(36)23-45-42(50)47-33-19-21-35(22-20-33)51-34-8-3-2-4-9-34/h2-22,26-27,37-38,41,49H,23-25H2,1H3,(H2,45,47,50)/t27-,37+,38+,41+/m0/s1
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)O)OC3(O2)CC4=CC=CC=C4C3)O
InChI: InChI=1S/C22H28N2O7/c1-12(26)18(21(29)23-6-7-25)24-20(28)15-8-16(27)19-17(9-15)30-22(31-19)10-13-4-2-3-5-14(13)11-22/h2-5,9,12,16-19,25-27H,6-8,10-11H2,1H3,(H,23,29)(H,24,28)/t12-,16+,17+,18+,19-/m0/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@H]4CCN3C[C@@H]4C=C)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O
InChI: InChI=1S/C20H24N2O2.C6H12O7/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-5,7-11H,1H2,(H,12,13)/t13-,14+,19+,20-;2-,3-,4+,5-/m01/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@@H]2[C@@H](NN3C(=NN=C3S2)C)C4=CC=C(C=C4)OC
InChI: InChI=1S/C20H20N4O2S/c1-12-4-6-15(7-5-12)18(25)19-17(14-8-10-16(26-3)11-9-14)23-24-13(2)21-22-20(24)27-19/h4-11,17,19,23H,1-3H3/t17-,19-/m0/s1
SMILES: CCOC(=O)C1(CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)F)NC(=O)[C@H]3C[C@@H]4CC[C@H]3N(C4)C)C5CCCCC5
InChI: InChI=1S/C32H46FN3O4/c1-3-40-31(39)32(24-7-5-4-6-8-24)15-17-36(18-16-32)30(38)27(20-22-9-12-25(33)13-10-22)34-29(37)26-19-23-11-14-28(26)35(2)21-23/h9-10,12-13,23-24,26-28H,3-8,11,14-21H2,1-2H3,(H,34,37)/t23-,26-,27+,28+/m0/s1
SMILES: CC1=C([C@@H]([C@H](C(=C1)N2CCCCC2)C(=O)OC)CN3C(=NC=C3[N+](=O)[O-])C)C(=O)OC
InChI: InChI=1S/C21H28N4O6/c1-13-10-16(23-8-6-5-7-9-23)19(21(27)31-4)15(18(13)20(26)30-3)12-24-14(2)22-11-17(24)25(28)29/h10-11,15,19H,5-9,12H2,1-4H3/t15-,19+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@]3([C@H]1[C@@H](C(=C([C@]3(CC(=O)O2)O)C)OC)OC4CCCCO4)C
InChI: InChI=1S/C21H32O6/c1-12-8-9-14-20(3)17(12)19(27-16-7-5-6-10-25-16)18(24-4)13(2)21(20,23)11-15(22)26-14/h12,14,16-17,19,23H,5-11H2,1-4H3/t12-,14+,16?,17-,19+,20+,21+/m1/s1
SMILES: CC[C@@H]1[C@@]2(C3C(C(=O)O2)N(CC3(C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)C)C
InChI: InChI=1S/C34H56N2O10/c1-13-22-34(8)26-23(30(41)46-34)36(11)16-32(26,6)27(39)17(2)15-33(7,42-12)28(19(4)24(37)20(5)29(40)44-22)45-31-25(38)21(35(9)10)14-18(3)43-31/h17-23,25-26,28,31,38H,13-16H2,1-12H3/t17-,18-,19+,20-,21+,22-,23?,25-,26?,28-,31+,32?,33+,34-/m1/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)N(C2=CC(=O)C(=C(C1)C2=O)N)CC(=O)C3=CC=CC=C3OC)\C)OC)OC(=O)N)\C)C)O)OC
InChI: InChI=1S/C37H49N3O10/c1-20-15-25-32(38)27(41)18-26(34(25)44)40(19-28(42)24-12-8-9-13-29(24)47-5)36(45)21(2)11-10-14-30(48-6)35(50-37(39)46)23(4)17-22(3)33(43)31(16-20)49-7/h8-9,11-13,17-18,20,22,30-31,33,35,43H,10,14-16,19,38H2,1-7H3,(H2,39,46)/b21-11+,23-17+/t20-,22+,30+,31+,33-,35+/m1/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3C[C@@H]4CO[C@H](O[C@H]4[C@@H]([C@@H]3OC(=O)C)OCC5=CC=CC=C5)C6=CC=CC=C6)OCC7=CC=CC=C7)NC(=O)C
InChI: InChI=1S/C53H67NO11/c1-4-5-6-7-8-21-30-58-53-46(54-37(2)55)50(59-33-40-24-15-10-16-25-40)49(45(64-53)36-57-32-39-22-13-9-14-23-39)63-44-31-43-35-61-52(42-28-19-12-20-29-42)65-47(43)51(48(44)62-38(3)56)60-34-41-26-17-11-18-27-41/h9-20,22-29,43-53H,4-8,21,30-36H2,1-3H3,(H,54,55)/t43-,44+,45-,46-,47-,48-,49-,50-,51+,52-,53-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)CCCCCNC(=O)OCC3=CC=CC=C3)O
InChI: InChI=1S/C24H32N4O7/c1-16-14-28(23(32)27-22(16)31)21-12-18(29)19(35-21)13-26-20(30)10-6-3-7-11-25-24(33)34-15-17-8-4-2-5-9-17/h2,4-5,8-9,14,18-19,21,29H,3,6-7,10-13,15H2,1H3,(H,25,33)(H,26,30)(H,27,31,32)/t18-,19+,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)C4=CC=CC=C4CN)CN(C)[C@@H](C)[C@@H](C5=CC=CC=C5)O
InChI: InChI=1S/C36H42N2O4/c1-24-33(22-38(3)25(2)34(40)28-9-5-4-6-10-28)41-36(42-35(24)29-15-13-26(23-39)14-16-29)30-19-17-27(18-20-30)32-12-8-7-11-31(32)21-37/h4-20,24-25,33-36,39-40H,21-23,37H2,1-3H3/t24-,25+,33+,34+,35+,36+/m1/s1