EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O.Cl
InChI: InChI=1S/C21H41N7O12.ClH/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);1H/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;/m0./s1
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4(C1O4)C)OC(=O)[C@H](C)N(C)C(=O)C(C)C)C)\C)OC)(NC(=O)O2)O
InChI: InChI=1S/C36H50ClN3O10/c1-19(2)32(42)39(7)22(5)33(43)49-28-17-29(41)40(8)24-15-23(16-25(46-9)30(24)37)14-20(3)12-11-13-27(47-10)36(45)18-26(48-34(44)38-36)21(4)31-35(28,6)50-31/h11-13,15-16,19,21-22,26-28,31,45H,14,17-18H2,1-10H3,(H,38,44)/b13-11+,20-12+/t21-,22+,26+,27-,28+,31?,35+,36+/m1/s1
SMILES: C1=CC=C(C=C1)C[C@H]2[C@@H]([C@@H](C3=CC=CC=C3NC2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H25NO/c31-29-25(20-21-12-4-1-5-13-21)28(23-16-8-3-9-17-23)27(22-14-6-2-7-15-22)24-18-10-11-19-26(24)30-29/h1-19,25,27-28H,20H2,(H,30,31)/t25-,27+,28-/m0/s1
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)C1[C@@H]([C@H](CO1)O)O
InChI: InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)30-21(18-25)24-23(28)20(26)19-29-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23+,24?/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)CC4=CC=C(C=C4)Cl)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C26H34ClNO2/c1-25-13-11-23(29)28(3)22(25)9-8-19-20(25)10-12-26(2)21(19)15-17(24(26)30)14-16-4-6-18(27)7-5-16/h4-7,11,13,17,19-22,24,30H,8-10,12,14-15H2,1-3H3/t17-,19+,20-,21-,22+,24-,25+,26-/m0/s1
SMILES: CC1=C2C(=O)/C(=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)OC(=O)C)/OC(=O)C
InChI: InChI=1S/C46H53NO16/c1-23-30(60-41(54)37(52)35(27-16-12-10-13-17-27)47-42(55)63-43(5,6)7)21-46(56)39(61-40(53)28-18-14-11-15-19-28)34-32(38(59-25(3)49)36(51)33(23)44(46,8)9)29(58-24(2)48)20-31-45(34,22-57-31)62-26(4)50/h10-19,29-31,34-35,37,39,52,56H,20-22H2,1-9H3,(H,47,55)/b38-32+/t29-,30-,31+,34+,35-,37+,39-,45-,46+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@H](C)OC(=O)C2=C(C=C(C=C2)C)O
InChI: InChI=1S/C18H25NO4/c1-11-8-9-14(16(20)10-11)18(22)23-13(3)17(21)19-15-7-5-4-6-12(15)2/h8-10,12-13,15,20H,4-7H2,1-3H3,(H,19,21)/t12-,13-,15+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@]23[C@@H](C(=NN2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC(=C4C)C
InChI: InChI=1S/C22H21N3O4/c1-12-8-10-15(11-9-12)22-17(18(23-24-22)20(27)29-4)19(26)25(21(22)28)16-7-5-6-13(2)14(16)3/h5-11,17,24H,1-4H3/t17-,22+/m0/s1
SMILES: CC(=O)OC[C@]1(CCC[C@]2([C@H]1CCC(=C)[C@@H]2CCC3=CCC4=C(C=CC(=C4C3)OC(=O)C)OC(=O)C)C)C
InChI: InChI=1S/C32H42O6/c1-20-8-15-30-31(5,19-36-21(2)33)16-7-17-32(30,6)27(20)12-10-24-9-11-25-26(18-24)29(38-23(4)35)14-13-28(25)37-22(3)34/h9,13-14,27,30H,1,7-8,10-12,15-19H2,2-6H3/t27-,30-,31+,32+/m0/s1
SMILES: CCC[C@@H]1CC[C@H](C[C@H]1C)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCC
InChI: InChI=1S/C25H32O3/c1-4-6-19-7-12-22(17-18(19)3)20-8-10-21(11-9-20)25(26)28-24-15-13-23(14-16-24)27-5-2/h8-11,13-16,18-19,22H,4-7,12,17H2,1-3H3/t18-,19-,22-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCC[NH+]2CC(=O)NCC3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C19H26N2O3/c22-19(12-21-9-3-5-15-4-1-2-6-16(15)21)20-11-14-7-8-17-18(10-14)24-13-23-17/h7-8,10,15-16H,1-6,9,11-13H2,(H,20,22)/p+1/t15-,16-/m0/s1
SMILES: C[C@H]1CCCC[C@H](C(C(OC(=O)/C=C\C=C\[C@H]([C@H](C[C@@H](/C=C\[C@@H]([C@@H]1O)C)O)O)C)C(C)/C=C\C=C)C)O
InChI: InChI=1S/C31H50O6/c1-7-8-13-24(5)31-25(6)27(33)16-11-9-15-22(3)30(36)23(4)18-19-26(32)20-28(34)21(2)14-10-12-17-29(35)37-31/h7-8,10,12-14,17-19,21-28,30-34,36H,1,9,11,15-16,20H2,2-6H3/b13-8-,14-10+,17-12-,19-18-/t21-,22+,23+,24?,25?,26-,27-,28+,30-,31?/m1/s1
SMILES: CSC(=N)C1=CC=C(C=C1)S[C@H]2[C@@H]3[C@H]([C@@H]([C@H](O2)CS3)O)O
InChI: InChI=1S/C14H17NO3S3/c1-19-13(15)7-2-4-8(5-3-7)21-14-12-11(17)10(16)9(18-14)6-20-12/h2-5,9-12,14-17H,6H2,1H3/t9-,10-,11+,12+,14+/m1/s1
SMILES: C1[C@H](O[C@@H]([C@H]1I)C2=COC=C2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H25IO3/c29-26-18-25(32-27(26)21-16-17-30-19-21)20-31-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-17,19,25-27H,18,20H2/t25-,26-,27+/m0/s1
SMILES: CC1=CC2[C@]([C@@H]([C@@H]1O)O)([C@]3(C(C(C([C@]34CO4)O2)O)O)C)CO
InChI: InChI=1S/C15H22O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7-12,16-20H,4-5H2,1-2H3/t7?,8-,9?,10?,11-,12?,13-,14-,15-/m1/s1
SMILES: CC(=O)OCC1([C@@]([C@H](C(O1)OC(=O)C)OC(=O)C)(CC=C)OCC2=CC=CC=C2)COC(=O)C
InChI: InChI=1S/C24H30O10/c1-6-12-24(31-13-20-10-8-7-9-11-20)21(32-18(4)27)22(33-19(5)28)34-23(24,14-29-16(2)25)15-30-17(3)26/h6-11,21-22H,1,12-15H2,2-5H3/t21-,22?,24-/m0/s1
SMILES: C[C@]12CC/C(=N\NC(=NCC3=CC=CC=C3)N)/C[C@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C
InChI: InChI=1S/C31H42N4O3/c1-29-13-10-23(34-35-28(32)33-18-20-6-4-3-5-7-20)17-22(29)8-9-26-25(29)11-14-30(2)24(12-15-31(26,30)37)21-16-27(36)38-19-21/h3-7,16,22,24-26,37H,8-15,17-19H2,1-2H3,(H3,32,33,35)/b34-23+/t22-,24-,25+,26-,29+,30-,31+/m1/s1
SMILES: C[C@@]12[C@@H](CC=C([C@@H]1C3=C(C=CC(=C3)Br)O)C=C)C(=O)N(C2=O)C4=CC=CC=C4
InChI: InChI=1S/C23H20BrNO3/c1-3-14-9-11-18-21(27)25(16-7-5-4-6-8-16)22(28)23(18,2)20(14)17-13-15(24)10-12-19(17)26/h3-10,12-13,18,20,26H,1,11H2,2H3/t18-,20+,23+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O)NC(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C13H15ClN2O4/c14-7-1-3-8(4-2-7)15-13(18)16-9-5-19-12-10(17)6-20-11(9)12/h1-4,9-12,17H,5-6H2,(H2,15,16,18)/t9-,10+,11+,12+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@@H]4C5)C)OC)C)C(CC=C(C)C)S(=O)(=O)C6=CC=CC=C6
InChI: InChI=1S/C34H50O3S/c1-22(2)12-15-30(38(35,36)25-10-8-7-9-11-25)23(3)27-13-14-28-26-20-31(37-6)34-21-24(34)16-19-33(34,5)29(26)17-18-32(27,28)4/h7-12,23-24,26-31H,13-21H2,1-6H3/t23-,24+,26-,27+,28-,29-,30?,31+,32+,33+,34-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OCCCCCCCCC=C)OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C36H55O21P/c1-9-10-11-12-13-14-15-16-17-48-58(44,45)57-36-34(53-26(8)43)32(51-24(6)41)30(28(55-36)19-47-21(3)38)56-35-33(52-25(7)42)31(50-23(5)40)29(49-22(4)39)27(54-35)18-46-20(2)37/h9,27-36H,1,10-19H2,2-8H3,(H,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36-/m1/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C3=NC(=C(O3)N4CCCCC4)C(=O)OC)/C)[C@H](C)O
InChI: InChI=1S/C26H40N2O8/c1-14(11-20-27-21(26(32)33-4)25(36-20)28-8-6-5-7-9-28)10-18-23(31)22(30)17(13-34-18)12-19-24(35-19)15(2)16(3)29/h11,15-19,22-24,29-31H,5-10,12-13H2,1-4H3/b14-11+/t15-,16-,17-,18-,19-,22+,23-,24-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)OC)O)O)O
InChI: InChI=1S/C22H22O10/c1-9-17(25)19(27)20(28)22(30-9)32-15-8-14-16(18(26)21(15)29-2)12(24)7-13(31-14)10-3-5-11(23)6-4-10/h3-9,17,19-20,22-23,25-28H,1-2H3/t9-,17-,19+,20+,22+/m0/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)C4=C5C6CC7CC(C6)CC5C7
InChI: InChI=1S/C26H27NO2/c1-13-3-2-4-18(7-13)27-25(28)23-19-5-6-20(24(23)26(27)29)22(19)21-16-9-14-8-15(11-16)12-17(21)10-14/h2-7,14-17,19-20,23-24H,8-12H2,1H3/t14?,15?,16?,17?,19-,20+,23-,24-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)N/N=C\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC
InChI: InChI=1S/C17H24N4O4S/c1-11-6-4-5-7-13(11)19-17(26)20-18-10-12-8-15(24-2)16(25-3)9-14(12)21(22)23/h8-11,13H,4-7H2,1-3H3,(H2,19,20,26)/b18-10-/t11-,13-/m0/s1
SMILES: C[C@H]1[C@H](C(=O)N(C1=O)C2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C
InChI: InChI=1S/C20H18F3NO3/c1-12-3-5-14(6-4-12)11-17-13(2)18(25)24(19(17)26)15-7-9-16(10-8-15)27-20(21,22)23/h3-10,13,17H,11H2,1-2H3/t13-,17+/m0/s1
SMILES: CC1=C([C@H]([C@@H]2C(=N1)C[C@H](CC2=O)C3=CC=CC=C3)C4=CC=CC=N4)C(=O)OC5CCCCC5
InChI: InChI=1S/C28H30N2O3/c1-18-25(28(32)33-21-12-6-3-7-13-21)27(22-14-8-9-15-29-22)26-23(30-18)16-20(17-24(26)31)19-10-4-2-5-11-19/h2,4-5,8-11,14-15,20-21,26-27H,3,6-7,12-13,16-17H2,1H3/t20-,26-,27-/m1/s1
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@@H]4CC[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C17H16N2O5/c1-24-13-8-11(19(22)23)6-7-12(13)18-16(20)14-9-2-3-10(5-4-9)15(14)17(18)21/h2-3,6-10,14-15H,4-5H2,1H3/t9-,10+,14-,15+
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C=C6)O)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F)[N+](=O)[O-]
InChI: InChI=1S/C40H32ClFN6O9/c1-44(2)35-31(47(54)55)17-25(18-32(35)48(56)57)45-36(50)28-16-15-27-29(33(28)38(45)52)19-30-37(51)46(43-24-11-9-23(42)10-12-24)39(53)40(30,21-5-7-22(41)8-6-21)34(27)20-3-13-26(49)14-4-20/h3-15,17-18,28-30,33-34,43,49H,16,19H2,1-2H3/t28-,29+,30-,33-,34-,40+/m0/s1
SMILES: CCC[C@@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@H]3O[Si](C)(C)C)C)C4=C1C=C(C=C4)O[Si](C)(C)C
InChI: InChI=1S/C27H46O2Si2/c1-9-10-19-17-24-22(21-12-11-20(18-23(19)21)28-30(3,4)5)15-16-27(2)25(24)13-14-26(27)29-31(6,7)8/h11-12,18-19,22,24-26H,9-10,13-17H2,1-8H3/t19-,22-,24-,25+,26+,27+/m1/s1
SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)OP(=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)N4C=C(C(=O)NC4=O)F)O)O
InChI: InChI=1S/C20H21FN3O11P/c21-11-7-24(20(30)23-17(11)27)18-16(26)15(25)14(34-18)8-33-36(31,32)35-13(19(28)29)5-9-6-22-12-4-2-1-3-10(9)12/h1-4,6-7,13-16,18,22,25-26H,5,8H2,(H,28,29)(H,31,32)(H,23,27,30)/t13?,14-,15-,16+,18-/m1/s1
SMILES: CCC[C@@H]1[C@H](C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)NC(C)C
InChI: InChI=1S/C23H27NO/c1-4-9-19-20-15-10-5-7-12-17(15)21(18-13-8-6-11-16(18)20)22(19)23(25)24-14(2)3/h5-8,10-14,19-22H,4,9H2,1-3H3,(H,24,25)/t19-,20?,21?,22+/m0/s1
SMILES: C[C@@]1([C@](O[C@@H]2[C@@H](O1)[C@@H](C(=C)O[C@@H]2OC)OCC3=CC4=C(C=C3I)OCO4)(C)OC)OC
InChI: InChI=1S/C21H27IO9/c1-11-16(26-9-12-7-14-15(8-13(12)22)28-10-27-14)17-18(19(23-4)29-11)31-21(3,25-6)20(2,24-5)30-17/h7-8,16-19H,1,9-10H2,2-6H3/t16-,17+,18-,19+,20-,21-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)OCCOC3=CC=C(C=C3)Br
InChI: InChI=1S/C18H18BrNO5/c19-12-5-7-13(8-6-12)24-9-10-25-16(21)11-20-17(22)14-3-1-2-4-15(14)18(20)23/h1-2,5-8,14-15H,3-4,9-11H2/t14-,15-/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]3[C@@H]2CC[C@]4([C@@H]3C[C@H](C4=O)Br)C)C
InChI: InChI=1S/C21H31BrO3/c1-12(23)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(22)19(21)24/h13-18H,4-11H2,1-3H3/t13-,14+,15-,16-,17+,18+,20-,21-/m0/s1
SMILES: CC1=CC=C(C=C1)S[C@@H]2[C@@H]([C@@H]([C@H]3[C@H](O2)CO[C@H](O3)C4=CC=CC=C4)N=[N+]=[N-])N=[N+]=[N-]
InChI: InChI=1S/C20H20N6O3S/c1-12-7-9-14(10-8-12)30-20-17(24-26-22)16(23-25-21)18-15(28-20)11-27-19(29-18)13-5-3-2-4-6-13/h2-10,15-20H,11H2,1H3/t15-,16+,17-,18-,19-,20-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OCC#C[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/C36H46O6Si/c1-36(2,3)43(4,5)41-23-15-22-31-33(38-25-28-16-9-6-10-17-28)35(40-27-30-20-13-8-14-21-30)34(32(24-37)42-31)39-26-29-18-11-7-12-19-29/h6-14,16-21,31-35,37H,23-27H2,1-5H3/t31-,32-,33+,34+,35-/m1/s1
SMILES: C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)CC/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C\CC[C@H]([C@H](C)[C@H](C(C)C)OC(=O)N)O)O
InChI: InChI=1S/C28H49NO7/c1-16(2)26(36-28(29)34)19(5)22(30)14-10-8-12-17(3)24(31)18(4)13-9-11-15-23-20(6)25(32)21(7)27(33)35-23/h8-9,12-13,16-26,30-32H,10-11,14-15H2,1-7H3,(H2,29,34)/b12-8-,13-9-/t17-,18-,19-,20-,21+,22+,23-,24+,25-,26-/m0/s1
SMILES: CCOC(=O)N(CCOCCO)[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=CC=C(C=C6)C7=CC=CC=C7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C53H63N3O12/c1-3-30-65-53-49(55(52(60)64-4-2)26-31-63-32-29-59)35-47(54-66-36-37-16-20-41(21-17-37)56(61)62)45-33-40(14-8-10-27-57)44(15-9-11-28-58)50(51(45)53)46-34-43(24-25-48(46)68-53)67-42-22-18-39(19-23-42)38-12-6-5-7-13-38/h3,5-7,12-13,16-25,33-34,40,44,49-51,57-59H,1,4,8-11,14-15,26-32,35-36H2,2H3/t40-,44+,49-,50+,51+,53+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC2=CC=C(C=C2)C3=NC(=C(S3)C(=O)C)C
InChI: InChI=1S/C21H26N2O3S/c1-13-6-4-5-7-18(13)23-19(25)12-26-17-10-8-16(9-11-17)21-22-14(2)20(27-21)15(3)24/h8-11,13,18H,4-7,12H2,1-3H3,(H,23,25)/t13-,18+/m1/s1
SMILES: CCCN1C2=CC=CC=C2C(=C1O)N=NC(=O)[C@H]3[C@@H](CNC3=O)C4=CC=CC=C4
InChI: InChI=1S/C22H22N4O3/c1-2-12-26-17-11-7-6-10-15(17)19(22(26)29)24-25-21(28)18-16(13-23-20(18)27)14-8-4-3-5-9-14/h3-11,16,18,29H,2,12-13H2,1H3,(H,23,27)/t16-,18-/m0/s1
SMILES: COCC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@H]2S1)CC3=CC=C(C=C3)Cl
InChI: InChI=1S/C15H17ClN2O4S2/c1-22-7-14(19)17-15-18(6-10-2-4-11(16)5-3-10)12-8-24(20,21)9-13(12)23-15/h2-5,12-13H,6-9H2,1H3/t12-,13+/m0/s1
SMILES: C1=C(SC(=C1C(=O)N)[C@@H]2[C@H]([C@H]([C@@H](O2)CO)O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C15H21NO9S/c16-15(23)4-1-7(12-10(21)8(19)5(2-17)24-12)26-14(4)13-11(22)9(20)6(3-18)25-13/h1,5-6,8-13,17-22H,2-3H2,(H2,16,23)/t5-,6+,8-,9+,10-,11+,12+,13+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@@H]2CC[C@@H]4[C@@]3(CCC(C4)O)C)C
InChI: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21?,22-,23-,24+,25+,26+,27-/m1/s1
SMILES: C[C@@H](C1=CC2=CC=CC=C2O1)NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C20H20N2O4/c1-12(17-10-13-6-2-5-9-16(13)26-17)21-18(23)11-22-19(24)14-7-3-4-8-15(14)20(22)25/h2-6,9-10,12,14-15H,7-8,11H2,1H3,(H,21,23)/t12-,14-,15+/m0/s1
SMILES: CCC/C=C\1/CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=C3C=CC(=C4)O)C
InChI: InChI=1S/C22H28O2/c1-3-4-5-14-6-9-20-18-13-21(24)19-12-15(23)7-8-16(19)17(18)10-11-22(14,20)2/h5,7-8,12,17-18,20,23H,3-4,6,9-11,13H2,1-2H3/b14-5-/t17-,18-,20+,22-/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(C)[C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCSC6=CC=CC=C6)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C53H78N2O8S/c1-4-6-7-8-9-10-11-12-16-27-49(58)55(3)48-39-46(54-63-50-28-19-22-34-60-50)44-37-40(23-17-20-31-56)43(26-18-21-32-57)51-45-38-41(59-35-36-64-42-24-14-13-15-25-42)29-30-47(45)62-53(48,52(44)51)61-33-5-2/h5,13-15,24-25,29-30,37-38,40,43,48,50-52,56-57H,2,4,6-12,16-23,26-28,31-36,39H2,1,3H3/t40-,43+,48-,50?,51+,52+,53+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[C@@H]3[C@H]4C(=NC5=C3C(=O)N(C(=O)N5C)C)C6=CC=CC=C6C4=O
InChI: InChI=1S/C29H23N3O6S/c1-16-8-14-19(15-9-16)39(36,37)38-18-12-10-17(11-13-18)22-23-25(20-6-4-5-7-21(20)26(23)33)30-27-24(22)28(34)32(3)29(35)31(27)2/h4-15,22-23H,1-3H3/t22-,23+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)CSC2=NC3=CC=CC=C3O2)C(C)C
InChI: InChI=1S/C19H25NO3S/c1-12(2)14-9-8-13(3)10-17(14)22-18(21)11-24-19-20-15-6-4-5-7-16(15)23-19/h4-7,12-14,17H,8-11H2,1-3H3/t13-,14+,17+/m0/s1
SMILES: C1C[C@H]2C[C@H]1C[C@H]2CC(=O)OCC(=O)NC3=CC=C(C=C3)Br
InChI: InChI=1S/C17H20BrNO3/c18-14-3-5-15(6-4-14)19-16(20)10-22-17(21)9-13-8-11-1-2-12(13)7-11/h3-6,11-13H,1-2,7-10H2,(H,19,20)/t11-,12-,13-/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=C4CNS(=O)(=O)C5=CC=CC=C5)CN(C)[C@@H](C)C6=CC=CC=C6
InChI: InChI=1S/C41H44N2O5S/c1-29-39(27-43(3)30(2)32-12-6-4-7-13-32)47-41(48-40(29)34-20-18-31(28-44)19-21-34)35-24-22-33(23-25-35)38-17-11-10-14-36(38)26-42-49(45,46)37-15-8-5-9-16-37/h4-25,29-30,39-42,44H,26-28H2,1-3H3/t29-,30-,39+,40+,41+/m0/s1
SMILES: C[C@@]12CC[C@H]3[C@@H]([C@@H]1CCC2=O)CC[C@@]45[C@@]3(C4)CCC(=O)C5
InChI: InChI=1S/C19H26O2/c1-17-7-6-15-13(14(17)2-3-16(17)21)5-8-18-10-12(20)4-9-19(15,18)11-18/h13-15H,2-11H2,1H3/t13-,14+,15+,17-,18+,19-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5
InChI: InChI=1S/C21H28N2O5S/c24-21(13-17-12-15-1-2-16(17)11-15)22-5-7-23(8-6-22)29(25,26)18-3-4-19-20(14-18)28-10-9-27-19/h3-4,14-17H,1-2,5-13H2/t15-,16+,17+/m0/s1
SMILES: CC(C)C(=O)O[C@H]1[C@@H]([C@@H]2[C@@]3([C@@H](C[C@H]([C@]2([C@]45[C@@]1([C@@H](C[C@H]4O5)C6=COC=C6)C)C)OC(=O)C)[C@]([C@@H](C[C@@H]3OC(=O)C)O)(C)C(=O)OC)C)OC(=O)O
InChI: InChI=1S/C36H48O14/c1-16(2)29(40)49-28-26(48-31(42)43)27-33(6)21(32(5,30(41)44-9)22(39)14-23(33)46-17(3)37)13-24(47-18(4)38)35(27,8)36-25(50-36)12-20(34(28,36)7)19-10-11-45-15-19/h10-11,15-16,20-28,39H,12-14H2,1-9H3,(H,42,43)/t20-,21-,22+,23-,24+,25+,26+,27+,28-,32-,33+,34+,35+,36+/m0/s1
SMILES: CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC4=CC=[N+](C=C4)NC)C(=O)[O-]
InChI: InChI=1S/C23H25N7O7S3/c1-23(2,21(35)36)37-28-14(13-10-40-22(24)26-13)17(31)27-15-18(32)30-16(20(33)34)11(9-39-19(15)30)8-38-12-4-6-29(25-3)7-5-12/h4-7,10,15,19,25H,8-9H2,1-3H3,(H4-,24,26,27,31,33,34,35,36)/b28-14-/t15-,19-/m1/s1
SMILES: CC[C@]1(C(=O)N(C(=O)N1)CC(=O)N[C@H]2CCCC[C@H]2C)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C20H26ClN3O3/c1-3-20(14-8-10-15(21)11-9-14)18(26)24(19(27)23-20)12-17(25)22-16-7-5-4-6-13(16)2/h8-11,13,16H,3-7,12H2,1-2H3,(H,22,25)(H,23,27)/t13-,16+,20-/m1/s1
SMILES: CCCN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC5=CC=CC=C5F)OCC=C)CCCCO)CCCCO)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C45H54FN3O10/c1-4-22-48(44(52)58-33-18-16-32(17-19-33)49(53)54)41-28-39(47-55-3)36-26-30(12-8-10-23-50)35(14-9-11-24-51)42-37-27-34(56-29-31-13-6-7-15-38(31)46)20-21-40(37)59-45(41,43(36)42)57-25-5-2/h5-7,13,15-21,26-27,30,35,41-43,50-51H,2,4,8-12,14,22-25,28-29H2,1,3H3/t30-,35+,41-,42+,43+,45+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@H](C(=O)C([C@H](CC(=O)O[C@H](CC2C(O2)(CC3C1C3)C(F)(F)F)/C(=C/C4=CSC(=N4)C)/C)O)(C)C)C)O
InChI: InChI=1S/C28H38F3NO6S/c1-13(7-18-12-39-16(4)32-18)20-9-22-27(38-22,28(29,30)31)11-17-8-19(17)14(2)24(35)15(3)25(36)26(5,6)21(33)10-23(34)37-20/h7,12,14-15,17,19-22,24,33,35H,8-11H2,1-6H3/b13-7+/t14-,15+,17?,19?,20+,21-,22?,24-,27?/m0/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@H]3C[C@H](O[C@H](O3)C4=CC=C(C=C4)CNC(=O)CCCCC(=O)NO)C5=CC=C(C=C5)CO
InChI: InChI=1S/C39H56N4O7/c1-39(2,3)41-37(47)33-21-20-28-8-4-5-9-32(28)43(33)24-31-22-34(29-16-14-27(25-44)15-17-29)50-38(49-31)30-18-12-26(13-19-30)23-40-35(45)10-6-7-11-36(46)42-48/h12-19,28,31-34,38,44,48H,4-11,20-25H2,1-3H3,(H,40,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-,34+,38+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NC3=CC=CC=C3F
InChI: InChI=1S/C17H19FN2O3/c18-13-7-3-4-8-14(13)19-15(21)9-10-20-16(22)11-5-1-2-6-12(11)17(20)23/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,19,21)/t11-,12-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)N=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H21N5O3/c1-11-7-6-10-14(12(11)2)17-15-16(21(23)24)18-19(20(15)22)13-8-4-3-5-9-13/h3-5,8-9,11-12,14,22H,6-7,10H2,1-2H3/t11-,12-,14-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2C[NH+](CC3)C)C(=O)COC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5
InChI: InChI=1S/C25H31N3O5S/c1-18-3-8-23-21(15-18)22-16-26(2)10-9-24(22)28(23)25(29)17-33-19-4-6-20(7-5-19)34(30,31)27-11-13-32-14-12-27/h3-8,15,22,24H,9-14,16-17H2,1-2H3/p+1/t22-,24-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H](CC[C@H](O2)CCCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O
InChI: InChI=1S/C32H42O6SSi/c1-25-17-20-27(21-18-25)39(34,35)36-24-31-30(33)22-19-26(38-31)12-11-23-37-40(32(2,3)4,28-13-7-5-8-14-28)29-15-9-6-10-16-29/h5-10,13-18,20-21,26,30-31,33H,11-12,19,22-24H2,1-4H3/t26-,30+,31-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](OC1O[C@@H]2CC[C@]3(C(C2(C)C)CC[C@@]4(C3[C@@H](CC5[C@]4(CC[C@@H]5C6(CC[C@H](O6)C(C)(C)O)C)C)O)C)C)CO)O)O
InChI: InChI=1S/C38H64O10/c1-20(40)45-30-29(43)28(42)24(19-39)46-32(30)47-26-12-14-35(6)25(33(26,2)3)11-16-37(8)31(35)23(41)18-22-21(10-15-36(22,37)7)38(9)17-13-27(48-38)34(4,5)44/h21-32,39,41-44H,10-19H2,1-9H3/t21-,22?,23+,24+,25?,26+,27-,28+,29-,30+,31?,32?,35-,36+,37+,38?/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]3[C@H](C(=N2)C(=O)C)C(=O)N(C3=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C21H19N3O3/c1-12-4-8-15(9-5-12)23-20(26)17-18(14(3)25)22-24(19(17)21(23)27)16-10-6-13(2)7-11-16/h4-11,17,19H,1-3H3/t17-,19+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)COC2=CC=C(C=C2)NC3=CC=CC=C3
InChI: InChI=1S/C24H30N2O4/c1-17-7-6-10-22(18(17)2)26-23(27)15-30-24(28)16-29-21-13-11-20(12-14-21)25-19-8-4-3-5-9-19/h3-5,8-9,11-14,17-18,22,25H,6-7,10,15-16H2,1-2H3,(H,26,27)/t17-,18+,22-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1[C@H](C[C@H]2[C@@H]1O2)N(CC3=CC=C(C=C3)OC)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C26H32N2O6/c1-26(2,3)34-24(29)27-22-20(14-21-23(22)33-21)28(15-17-10-12-19(31-4)13-11-17)25(30)32-16-18-8-6-5-7-9-18/h5-13,20-23H,14-16H2,1-4H3,(H,27,29)/t20-,21-,22+,23-/m0/s1
SMILES: C/C=C\1/CN2[C@H]3C[C@H]1[C@H]4[C@@H]2[C@@H](C5=C3NC6=C5C=CC(=C6)OC)OC4
InChI: InChI=1S/C20H22N2O2/c1-3-10-8-22-16-7-13(10)14-9-24-20(19(14)22)17-12-5-4-11(23-2)6-15(12)21-18(16)17/h3-6,13-14,16,19-21H,7-9H2,1-2H3/b10-3-/t13-,14+,16+,19-,20-/m1/s1
SMILES: C[C@H]1CCC2=C(C1)C=C(S2)C(=O)N/N=C\3/C[C@@H]4[C@@H]3CC=C4
InChI: InChI=1S/C17H20N2OS/c1-10-5-6-15-12(7-10)9-16(21-15)17(20)19-18-14-8-11-3-2-4-13(11)14/h2-3,9-11,13H,4-8H2,1H3,(H,19,20)/b18-14-/t10-,11+,13-/m0/s1
SMILES: C1=CC(=CC=C1C(CNC2=C3C(=NC(=N2)N)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C5=CC=C(C=C5)Cl)Cl
InChI: InChI=1S/C24H24Cl2N6O4/c25-14-5-1-12(2-6-14)16(13-3-7-15(26)8-4-13)9-28-21-18-22(31-24(27)30-21)32(11-29-18)23-20(35)19(34)17(10-33)36-23/h1-8,11,16-17,19-20,23,33-35H,9-10H2,(H3,27,28,30,31)/t17-,19-,20-,23-/m1/s1
SMILES: C1[C@H](O[C@H]([C@H](N1CCCC[C@H]2C(=O)O[C@@H]([C@@H](N2C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)CCNC(=O)OCC8=CC=CC=C8
InChI: InChI=1S/C54H55N3O7/c58-52-47(57(54(60)62-39-41-23-9-2-10-24-41)49(43-27-13-4-14-28-43)51(64-52)45-31-17-6-18-32-45)33-19-20-36-56-37-46(34-35-55-53(59)61-38-40-21-7-1-8-22-40)63-50(44-29-15-5-16-30-44)48(56)42-25-11-3-12-26-42/h1-18,21-32,46-51H,19-20,33-39H2,(H,55,59)/t46-,47+,48-,49+,50+,51-/m1/s1
SMILES: CC1=CC2=C(C(=C1)F)N=CN2[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
InChI: InChI=1S/C43H50FN4O6P/c1-29(2)48(30(3)4)55(52-23-11-22-45)54-39-26-41(47-28-46-42-37(44)24-31(5)25-38(42)47)53-40(39)27-51-43(32-12-9-8-10-13-32,33-14-18-35(49-6)19-15-33)34-16-20-36(50-7)21-17-34/h8-10,12-21,24-25,28-30,39-41H,11,23,26-27H2,1-7H3/t39-,40+,41+,55?/m0/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3CN4CCC(C4)O)NC(=O)C5=CC6=C(S5)C=C(C=C6)Cl
InChI: InChI=1S/C33H34ClN3O3S/c34-24-12-9-22-17-31(41-30(22)18-24)33(40)36-29-8-4-3-7-28(29)32(39)35-25-13-10-21(11-14-25)27-6-2-1-5-23(27)19-37-16-15-26(38)20-37/h1-2,5-6,9-14,17-18,26,28-29,38H,3-4,7-8,15-16,19-20H2,(H,35,39)(H,36,40)/t26?,28-,29+/m0/s1
SMILES: CC1=CC=CC=C1S(=O)(=O)N2C[C@H]([C@H](N(C(=O)N2CC3=CC=C(C=C3)O)CC4=CC=C(C=C4)O)CC5=CC=CC=C5)O
InChI: InChI=1S/C32H33N3O6S/c1-23-7-5-6-10-31(23)42(40,41)35-22-30(38)29(19-24-8-3-2-4-9-24)33(20-25-11-15-27(36)16-12-25)32(39)34(35)21-26-13-17-28(37)18-14-26/h2-18,29-30,36-38H,19-22H2,1H3/t29-,30-/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)N1CC2=C(C(=CC(=C2)C(F)(F)F)Cl)C3=CC(=C(C=C3OC)F)C(C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C30H24ClF10NO3/c1-13(2)20-10-21(24(44-4)11-23(20)32)25-16(7-19(9-22(25)31)30(39,40)41)12-42-14(3)26(45-27(42)43)15-5-17(28(33,34)35)8-18(6-15)29(36,37)38/h5-11,13-14,26H,12H2,1-4H3/t14-,26-/m0/s1
SMILES: CCOC1=C(C=C(C=C1)[C@@H]2[C@]3([C@@]2([C@@]4(N=C3N)OC[C@@H](O4)C)C#N)C#N)OC
InChI: InChI=1S/C19H20N4O4/c1-4-25-13-6-5-12(7-14(13)24-3)15-17(9-20)16(22)23-19(18(15,17)10-21)26-8-11(2)27-19/h5-7,11,15H,4,8H2,1-3H3,(H2,22,23)/t11-,15+,17+,18+,19+/m0/s1
SMILES: C[C@H]1C2=CC(=C(C=C2CCN1[C@]3([C@H]([C@@H]([C@@H](CO3)O)O)O)CO)O)O
InChI: InChI=1S/C16H23NO7/c1-8-10-5-12(20)11(19)4-9(10)2-3-17(8)16(7-18)15(23)14(22)13(21)6-24-16/h4-5,8,13-15,18-23H,2-3,6-7H2,1H3/t8-,13+,14+,15-,16+/m0/s1
SMILES: C1=C[C@H]2[C@H]([C@H]([C@@H]1[C@@H]3[C@H]2C(OC3(F)F)(F)F)CO)CO
InChI: InChI=1S/C12H14F4O3/c13-11(14)9-5-1-2-6(8(4-18)7(5)3-17)10(9)12(15,16)19-11/h1-2,5-10,17-18H,3-4H2/t5-,6+,7+,8-,9-,10+
SMILES: CCOC(=O)C1=C(N=C(S1)NC(=O)[C@H]2C[C@H]2C3=CC=CC=C3)C
InChI: InChI=1S/C17H18N2O3S/c1-3-22-16(21)14-10(2)18-17(23-14)19-15(20)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9H2,1-2H3,(H,18,19,20)/t12-,13-/m0/s1
SMILES: CC[C@@H]1[C@H](C(=O)[C@H](NC(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)O
InChI: InChI=1S/C29H50N2O10/c1-11-20-24(35)22(33)18(6)30-26(36)14(2)13-29(7,38-10)25(16(4)21(32)17(5)27(37)40-20)41-28-23(34)19(31(8)9)12-15(3)39-28/h14-20,23-25,28,34-35H,11-13H2,1-10H3,(H,30,36)/t14-,15-,16+,17-,18-,19-,20-,23-,24-,25-,28+,29-/m1/s1
SMILES: C[C@H]1C[C@H]2[C@H]([C@@H](C(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4)[C@H]([C@]5([C@@H]1[C@@H](C[C@H]5OC(=O)C)OC(=O)C)C)O
InChI: InChI=1S/C29H40N2O7/c1-17-14-22-25(27(34)29(4)24(37-19(3)33)15-23(26(17)29)36-18(2)32)21(28(35)38-22)16-30-10-12-31(13-11-30)20-8-6-5-7-9-20/h5-9,17,21-27,34H,10-16H2,1-4H3/p+1/t17-,21-,22-,23+,24+,25-,26-,27+,29+/m0/s1