EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)[C@@H]1[C@@H]2CC[C@H](N1[C@H](C)C3=CC=CC=C3)C=C2
InChI: InChI=1S/C18H23NO2/c1-3-21-18(20)17-15-9-11-16(12-10-15)19(17)13(2)14-7-5-4-6-8-14/h4-9,11,13,15-17H,3,10,12H2,1-2H3/t13-,15+,16-,17+/m1/s1
SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2CC(=O)[C@H]3C[C@@H]2C3(C)C)OC
InChI: InChI=1S/C25H38O2/c1-7-8-9-10-13-24(2,3)17-11-12-18(23(14-17)27-6)19-15-22(26)21-16-20(19)25(21,4)5/h11-12,14,19-21H,7-10,13,15-16H2,1-6H3/t19-,20-,21+/m0/s1
SMILES: C1CN([C@@H]([C@@H]1N(CC2=CC=CS2)C(=O)NC3=CC=CC=C3)C(=O)O)C(=O)C(=O)O
InChI: InChI=1S/C19H19N3O6S/c23-16(18(26)27)21-9-8-14(15(21)17(24)25)22(11-13-7-4-10-29-13)19(28)20-12-5-2-1-3-6-12/h1-7,10,14-15H,8-9,11H2,(H,20,28)(H,24,25)(H,26,27)/t14-,15+/m1/s1
SMILES: C[C@H]1[C@@](C(=O)CO1)(C)NC(=O)[C@@H](CC2CCCCC2)NC(=O)C3=COC=C3
InChI: InChI=1S/C20H28N2O5/c1-13-20(2,17(23)12-27-13)22-19(25)16(10-14-6-4-3-5-7-14)21-18(24)15-8-9-26-11-15/h8-9,11,13-14,16H,3-7,10,12H2,1-2H3,(H,21,24)(H,22,25)/t13-,16+,20+/m0/s1
SMILES: CC[C@H](C)[C@H]1[C@@H](C(=O)C(=C(O1)[C@@H](C)[C@@H](CC)O)C)C
InChI: InChI=1S/C16H28O3/c1-7-9(3)15-11(5)14(18)12(6)16(19-15)10(4)13(17)8-2/h9-11,13,15,17H,7-8H2,1-6H3/t9-,10-,11+,13+,15-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)C
InChI: InChI=1S/C19H29N3OS/c1-12(2)15-8-10-16(11-9-15)18(23)21-22-19(24)20-17-7-5-6-13(3)14(17)4/h8-14,17H,5-7H2,1-4H3,(H,21,23)(H2,20,22,24)/t13-,14+,17+/m0/s1
SMILES: C1C[C@@H]2[C@H](C1)ON=C2[C@@H](CC(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C15H17NO3/c17-12(10-5-2-1-3-6-10)9-13(18)15-11-7-4-8-14(11)19-16-15/h1-3,5-6,11,13-14,18H,4,7-9H2/t11-,13-,14+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1[C@H](CC2=O)CNS(=O)(=O)C4=CC5=CC=CC=C5C=C4)CCC6=C3C=CC(=C6)O
InChI: InChI=1S/C29H31NO4S/c1-29-13-12-25-24-11-8-22(31)14-20(24)7-10-26(25)28(29)21(16-27(29)32)17-30-35(33,34)23-9-6-18-4-2-3-5-19(18)15-23/h2-6,8-9,11,14-15,21,25-26,28,30-31H,7,10,12-13,16-17H2,1H3/t21-,25-,26-,28+,29-/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C(=O)[C@H](C(=O)OC[C@@]3([C@@H]([C@H](/C(=N/O)/[C@@H](C[C@@]2(C)OC)C)C)N(C(=O)O3)NCCCC4=CC=NC5=CC=CC=C45)C)C)C)O)N(C)C
InChI: InChI=1S/C41H61N5O10/c1-23-21-40(6,52-10)36(55-38-34(48)31(45(8)9)20-24(2)54-38)26(4)33(47)27(5)37(49)53-22-41(7)35(25(3)32(23)44-51)46(39(50)56-41)43-18-13-14-28-17-19-42-30-16-12-11-15-29(28)30/h11-12,15-17,19,23-27,31,34-36,38,43,48,51H,13-14,18,20-22H2,1-10H3/b44-32+/t23-,24-,25+,26+,27-,31+,34-,35-,36-,38+,40-,41-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP3SCCS3)OC(=O)C
InChI: InChI=1S/C14H19N2O6PS2/c1-8-6-16(14(19)15-13(8)18)12-5-10(21-9(2)17)11(22-12)7-20-23-24-3-4-25-23/h6,10-12H,3-5,7H2,1-2H3,(H,15,18,19)/t10-,11+,12+/m0/s1
SMILES: CCCCOC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C19H26N2O9/c1-5-6-9-26-15-7-8-21(19(25)20-15)18-17(29-13(4)24)16(28-12(3)23)14(30-18)10-27-11(2)22/h7-8,14,16-18H,5-6,9-10H2,1-4H3/t14-,16-,17-,18-/m1/s1
SMILES: CNC1=C(C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)CO)O)Br
InChI: InChI=1S/C10H14BrN3O5/c1-12-8-7(11)9(17)13-10(18)14(8)6-2-4(16)5(3-15)19-6/h4-6,12,15-16H,2-3H2,1H3,(H,13,17,18)/t4-,5+,6+/m0/s1
SMILES: C1C(=NO[C@@]12C=C(C(=O)[C@@H]([C@H]2O)Br)Br)C(=O)NCCC(=O)CNC(=O)C3=NO[C@]4(C3)C=C(C(=O)[C@@H]([C@H]4O)Br)Br
InChI: InChI=1S/C22H20Br4N4O9/c23-9-3-21(17(34)13(25)15(9)32)5-11(29-38-21)19(36)27-2-1-8(31)7-28-20(37)12-6-22(39-30-12)4-10(24)16(33)14(26)18(22)35/h3-4,13-14,17-18,34-35H,1-2,5-7H2,(H,27,36)(H,28,37)/t13-,14-,17+,18+,21-,22-/m0/s1
SMILES: CCCC/C=C\C[C@@H]1[C@H](OC(O1)(C)C)[C@@](COCOC)(C(=O)OC)NC(=O)C2=CC=CC=C2
InChI: InChI=1S/C25H37NO7/c1-6-7-8-9-13-16-20-21(33-24(2,3)32-20)25(23(28)30-5,17-31-18-29-4)26-22(27)19-14-11-10-12-15-19/h9-15,20-21H,6-8,16-18H2,1-5H3,(H,26,27)/b13-9-/t20-,21+,25+/m1/s1
SMILES: CC(C)N1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC4=CC=CC=C43)OC
InChI: InChI=1S/C26H25N5O/c1-16(2)31-11-10-19-20(12-27)25(30)26(14-28,15-29)24(21(19)13-31)23-18-7-5-4-6-17(18)8-9-22(23)32-3/h4-10,16,21,24H,11,13,30H2,1-3H3/t21-,24-/m1/s1
SMILES: CC1=CC(=S)OC2=C1C=CC3=C2[C@H]([C@H](C(O3)(C)C)OC(=O)C45CCC(C4(C)C)(C(=O)O5)C)OC(=O)C67CCC(C6(C)C)(C(=O)O7)C
InChI: InChI=1S/C35H40O10S/c1-17-16-20(46)40-22-18(17)10-11-19-21(22)23(41-27(38)34-14-12-32(8,25(36)44-34)30(34,4)5)24(29(2,3)43-19)42-28(39)35-15-13-33(9,26(37)45-35)31(35,6)7/h10-11,16,23-24H,12-15H2,1-9H3/t23-,24-,32?,33?,34?,35?/m1/s1
SMILES: CN1C[C@H]2C[C@@H](CC[C@]2(C1)C3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C24H28Cl2N2O3/c1-28-13-17-11-18(27-23(29)15-4-6-19(25)20(26)10-15)8-9-24(17,14-28)16-5-7-21(30-2)22(12-16)31-3/h4-7,10,12,17-18H,8-9,11,13-14H2,1-3H3,(H,27,29)/t17-,18-,24+/m1/s1
SMILES: C[C@@H]1C[C@H]1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C22H18N2O2/c1-14-11-19(14)21-10-9-17(26-21)12-16(13-23)22(25)24-20-8-4-6-15-5-2-3-7-18(15)20/h2-10,12,14,19H,11H2,1H3,(H,24,25)/b16-12+/t14-,19-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl
InChI: InChI=1S/C17H23ClN2O5S/c1-10-4-3-5-15(11(10)2)20-16(21)9-25-17(22)13-8-12(26(19,23)24)6-7-14(13)18/h6-8,10-11,15H,3-5,9H2,1-2H3,(H,20,21)(H2,19,23,24)/t10-,11-,15-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@]2(C1)OC(=CC(=O)O2)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(C)C
InChI: InChI=1S/C34H54O3/c1-25(2)13-9-14-27(5)15-10-16-28(6)17-11-18-29(7)19-12-20-31-23-33(35)37-34(36-31)24-30(8)21-22-32(34)26(3)4/h13,15,17,19,23,26,30,32H,9-12,14,16,18,20-22,24H2,1-8H3/b27-15+,28-17+,29-19+/t30-,32+,34+/m1/s1
SMILES: CN1[C@H]([C@H](CC1=O)C2=CC=CC=C2)[C@@H](C3=CC=C(S3)S(=O)(=O)N4CCSCC4)O
InChI: InChI=1S/C20H24N2O4S3/c1-21-17(23)13-15(14-5-3-2-4-6-14)19(21)20(24)16-7-8-18(28-16)29(25,26)22-9-11-27-12-10-22/h2-8,15,19-20,24H,9-13H2,1H3/t15-,19-,20-/m1/s1
SMILES: COC1=CC=C(C=C1)OC[C@]23[C@@H](C[C@H]([C@H]2CC(=O)O3)O)I
InChI: InChI=1S/C15H17IO5/c1-19-9-2-4-10(5-3-9)20-8-15-11(6-14(18)21-15)12(17)7-13(15)16/h2-5,11-13,17H,6-8H2,1H3/t11-,12-,13-,15-/m1/s1
SMILES: COC1=CC=C(C=C1)C#C[C@H]2CN3CC[C@H]2C[C@@H]3[C@H](C4=C5C=C(C=CC5=NC=C4)OC)O
InChI: InChI=1S/C27H28N2O3/c1-31-21-7-4-18(5-8-21)3-6-20-17-29-14-12-19(20)15-26(29)27(30)23-11-13-28-25-10-9-22(32-2)16-24(23)25/h4-5,7-11,13,16,19-20,26-27,30H,12,14-15,17H2,1-2H3/t19-,20-,26+,27-/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=CC=C5[N+](=O)[O-]
InChI: InChI=1S/C24H19N3O5/c1-15-11-13-16(14-12-15)25-23(28)20-21(18-9-5-6-10-19(18)27(30)31)26(32-22(20)24(25)29)17-7-3-2-4-8-17/h2-14,20-22H,1H3/t20-,21+,22-/m0/s1
SMILES: C[C@@H]1C[C@@]1([C@@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O)NC(=O)C7=CC=CC=C7
InChI: InChI=1S/C44H51NO14/c1-22-19-42(22,45-37(51)26-14-10-8-11-15-26)35(50)39(53)57-28-20-44(54)36(58-38(52)27-16-12-9-13-17-27)33-41(7,29(48)18-30-43(33,21-55-30)59-25(4)47)34(49)32(56-24(3)46)31(23(28)2)40(44,5)6/h8-17,22,28-30,32-33,35-36,48,50,54H,18-21H2,1-7H3,(H,45,51)/t22-,28+,29+,30-,32-,33+,35-,36+,41-,42-,43+,44-/m1/s1
SMILES: C[C@H]1[C@@H](C(=N[C@H](N1C(=O)OCC2=CC=CC=C2)C(C)(C)C)OC)CC3=CC=CC=C3
InChI: InChI=1S/C25H32N2O3/c1-18-21(16-19-12-8-6-9-13-19)22(29-5)26-23(25(2,3)4)27(18)24(28)30-17-20-14-10-7-11-15-20/h6-15,18,21,23H,16-17H2,1-5H3/t18-,21-,23+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)OC5C6=CC=CC=C6C(=O)O5)C=O)CO[C@H]7CN(C[C@H](O7)C)CC=C.Cl
InChI: InChI=1S/C36H45NO7.ClH/c1-6-13-37-17-23(5)42-30(18-37)41-20-35-16-27-22(4)11-12-28(27)34(19-38)15-24(35)14-29(21(2)3)36(34,35)33(40)44-32-26-10-8-7-9-25(26)31(39)43-32;/h6-10,14,19,21-24,27-28,30,32H,1,11-13,15-18,20H2,2-5H3;1H/t22-,23-,24+,27-,28-,30-,32?,34+,35+,36+;/m1./s1
SMILES: CN1C(=O)N([C@@]2([C@@]1(NNC(=N2)N)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI: InChI=1S/C18H20N6O/c1-23-16(25)24(2)18(14-11-7-4-8-12-14)17(23,20-15(19)21-22-18)13-9-5-3-6-10-13/h3-12,22H,1-2H3,(H3,19,20,21)/t17-,18-/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2CC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C17H19Cl2NO3/c18-13-3-4-15(14(19)8-13)20-16(21)9-23-17(22)7-12-6-10-1-2-11(12)5-10/h3-4,8,10-12H,1-2,5-7,9H2,(H,20,21)/t10-,11-,12+/m0/s1
SMILES: C[C@H]1[C@@H](CCN([C@@H]1C2=CNC3=CC=CC=C32)C=O)CC(=O)O
InChI: InChI=1S/C17H20N2O3/c1-11-12(8-16(21)22)6-7-19(10-20)17(11)14-9-18-15-5-3-2-4-13(14)15/h2-5,9-12,17-18H,6-8H2,1H3,(H,21,22)/t11-,12-,17-/m0/s1
SMILES: C1C[NH+]2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)CCO)C(=O)N4CCC(CC4)C(=O)N
InChI: InChI=1S/C19H30N6O3/c20-18(27)13-1-5-23(6-2-13)19(28)17-12-24-7-3-14(17)9-16(24)11-25-10-15(4-8-26)21-22-25/h10,13-14,16-17,26H,1-9,11-12H2,(H2,20,27)/p+1/t14-,16-,17+/m1/s1
SMILES: C[N+](CCO)(CCO)CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O
InChI: InChI=1S/C19H26N6O7S2/c1-25(3-5-26,4-6-27)7-10-8-33-17-13(16(29)24(17)14(10)18(30)31)22-15(28)12(23-32-2)11-9-34-19(20)21-11/h9,13,17,26-27H,3-8H2,1-2H3,(H3-,20,21,22,28,30,31)/p+1/b23-12-/t13-,17-/m1/s1
SMILES: CC1=NC=C(C(=C1O)CN[C@@H](CO)C(=O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C16H24N2O10/c1-6-11(21)7(2-18-8(4-19)15(25)26)9(3-17-6)27-16-14(24)13(23)12(22)10(5-20)28-16/h3,8,10,12-14,16,18-24H,2,4-5H2,1H3,(H,25,26)/t8-,10+,12+,13-,14+,16-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)N=NC6=CC=C(C=C6)N(C)C)C7=CC=C(O7)CO
InChI: InChI=1S/C36H32N4O6/c1-19-16-29(42)28-17-27-25(32(33(28)34(19)43)30-15-12-24(18-41)46-30)13-14-26-31(27)36(45)40(35(26)44)23-10-6-21(7-11-23)38-37-20-4-8-22(9-5-20)39(2)3/h4-13,15-16,26-27,31-32,41H,14,17-18H2,1-3H3/t26-,27+,31-,32+/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=CC=C8OC)O)C(=O)N(C7=O)C9=CC=C(C=C9)N1CCOCC1)C
InChI: InChI=1S/C45H42ClN5O7S/c1-23-29-20-24(46)8-15-35(29)59-40(23)32-22-36(48(3)47-32)51-42(54)31-21-30-27(39(45(31,2)44(51)56)38-33(52)6-5-7-34(38)57-4)13-14-28-37(30)43(55)50(41(28)53)26-11-9-25(10-12-26)49-16-18-58-19-17-49/h5-13,15,20,22,28,30-31,37,39,52H,14,16-19,21H2,1-4H3/t28-,30+,31-,37-,39+,45+/m0/s1
SMILES: C[C@]1(CC(=O)[C@H]([C@@H]([C@@H]1C(=O)OC(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)O
InChI: InChI=1S/C23H31NO8/c1-21(2,3)31-19(26)17-15(25)12-23(7,28)18(20(27)32-22(4,5)6)16(17)13-8-10-14(11-9-13)24(29)30/h8-11,16-18,28H,12H2,1-7H3/t16-,17+,18+,23+/m0/s1
SMILES: CC(=O)N(CC1=CC=CO1)[C@]2(CC[C@H]3CC4=CC=CC=C4C[C@@H]3C2)C(=O)NC5=C(C=C(C=C5)OC)OC
InChI: InChI=1S/C30H34N2O5/c1-20(33)32(19-26-9-6-14-37-26)30(29(34)31-27-11-10-25(35-2)17-28(27)36-3)13-12-23-15-21-7-4-5-8-22(21)16-24(23)18-30/h4-11,14,17,23-24H,12-13,15-16,18-19H2,1-3H3,(H,31,34)/t23-,24+,30-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)N(C)C8=C(C=CC(=N8)C(F)(F)F)Cl
InChI: InChI=1S/C41H31Cl3F6N6O5/c1-17-12-19(13-18(2)32(17)57)31-23-8-9-24-30(37(60)56(35(24)58)54(3)34-27(43)10-11-29(52-34)41(48,49)50)25(23)15-26-36(59)55(38(61)39(26,31)20-4-6-22(42)7-5-20)53-33-28(44)14-21(16-51-33)40(45,46)47/h4-8,10-14,16,24-26,30-31,57H,9,15H2,1-3H3,(H,51,53)/t24-,25+,26-,30-,31-,39+/m0/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)COC(=O)CCC3=CN=CC=C3
InChI: InChI=1S/C39H58N2O11/c1-8-32-29(22-49-33(45)14-12-27-10-9-16-40-21-27)18-23(2)11-13-30(43)24(3)19-28(15-17-42)38(25(4)31(44)20-34(46)51-32)52-39-37(48)35(41(6)7)36(47)26(5)50-39/h9-11,13,16-18,21,24-26,28-29,31-32,35-39,44,47-48H,8,12,14-15,19-20,22H2,1-7H3/b13-11+,23-18+/t24-,25+,26-,28+,29-,31-,32-,35+,36-,37-,38-,39+/m1/s1
SMILES: CC(C)(C)C(=O)OCOC(=O)C1C(=CS[C@H]2N1C(=O)[C@H]2N)COC(=O)N(C)C
InChI: InChI=1S/C17H25N3O7S/c1-17(2,3)15(23)27-8-26-14(22)11-9(6-25-16(24)19(4)5)7-28-13-10(18)12(21)20(11)13/h7,10-11,13H,6,8,18H2,1-5H3/t10-,11?,13-/m1/s1
SMILES: CCOC1CCC(CC1)OC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CS(=O)(=O)C)O)O)O)Cl
InChI: InChI=1S/C21H31ClO8S/c1-3-28-13-5-7-14(8-6-13)29-16-10-12(4-9-15(16)22)21-20(25)19(24)18(23)17(30-21)11-31(2,26)27/h4,9-10,13-14,17-21,23-25H,3,5-8,11H2,1-2H3/t13?,14?,17-,18-,19+,20-,21+/m1/s1
SMILES: CC1=C(C=C(C=C1)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=CC(=C6O)CC=C)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl)Cl
InChI: InChI=1S/C42H32Cl3F3N4O5/c1-3-5-21-6-4-7-28(35(21)53)34-26-14-15-27-33(39(56)51(37(27)54)25-13-8-20(2)31(44)17-25)29(26)18-30-38(55)52(40(57)41(30,34)22-9-11-24(43)12-10-22)50-36-32(45)16-23(19-49-36)42(46,47)48/h3-4,6-14,16-17,19,27,29-30,33-34,53H,1,5,15,18H2,2H3,(H,49,50)/t27-,29+,30-,33-,34+,41+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C[C@@H](C(=O)NCC(=O)OC(C)(C)C)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H36N2O14/c1-11(27)35-10-16-19(36-12(2)28)20(37-13(3)29)21(38-14(4)30)23(39-16)26-17(32)8-15(31)22(34)25-9-18(33)40-24(5,6)7/h15-16,19-21,23,31H,8-10H2,1-7H3,(H,25,34)(H,26,32)/t15-,16+,19+,20-,21+,23+/m0/s1
SMILES: C[C@@H]1[C@]2([C@H](O[C@@H](O[C@@H]2[C@H]([C@@H](O1)OCC3=CC=CC=C3[N+](=O)[O-])OCOCC[Si](C)(C)C)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)SC
InChI: InChI=1S/C36H45NO10SSi/c1-25-36(48-2)30(23-42-33(38)26-14-8-6-9-15-26)46-34(27-16-10-7-11-17-27)47-32(36)31(44-24-41-20-21-49(3,4)5)35(45-25)43-22-28-18-12-13-19-29(28)37(39)40/h6-19,25,30-32,34-35H,20-24H2,1-5H3/t25-,30-,31-,32-,34+,35-,36-/m1/s1
SMILES: C[C@]12CC[C@@]3(C[C@@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CCC5=O)C)CN(C(=O)O3)CC(CN6CCOCC6)OC(=O)CCC7CCCC7
InChI: InChI=1S/C36H56N2O6/c1-34-15-16-36(21-26(34)8-9-28-29-10-11-31(39)35(29,2)14-13-30(28)34)24-38(33(41)44-36)23-27(22-37-17-19-42-20-18-37)43-32(40)12-7-25-5-3-4-6-25/h25-30H,3-24H2,1-2H3/t26-,27?,28-,29-,30-,34-,35-,36+/m0/s1
SMILES: CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)I)N)O)O
InChI: InChI=1S/C12H16IN5O3S/c1-2-22-3-5-7(19)8(20)11(21-5)18-4-15-6-9(14)16-12(13)17-10(6)18/h4-5,7-8,11,19-20H,2-3H2,1H3,(H2,14,16,17)/t5-,7-,8-,11-/m1/s1
SMILES: CC(C)[Si](C[C@@H]1C[C@@H]([C@H](CO1)CC2=CC=CC=C2)O)(C(C)C)C(C)C
InChI: InChI=1S/C22H38O2Si/c1-16(2)25(17(3)4,18(5)6)15-21-13-22(23)20(14-24-21)12-19-10-8-7-9-11-19/h7-11,16-18,20-23H,12-15H2,1-6H3/t20-,21-,22-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@H](O1)NC2=CC=C(C=C2)O)O)O)O
InChI: InChI=1S/C12H17NO5/c1-6-9(15)10(16)11(17)12(18-6)13-7-2-4-8(14)5-3-7/h2-6,9-17H,1H3/t6-,9+,10+,11+,12-/m0/s1
SMILES: C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1ON=O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C
InChI: InChI=1S/C26H38N2O7S/c1-14-8-7-9-19-21(33-19)11-20(15(2)10-18-13-36-17(4)27-18)34-23(30)12-22(29)26(5,6)25(31)16(3)24(14)35-28-32/h10,13-14,16,19-22,24,29H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=CS3
InChI: InChI=1S/C16H18N2O2S2/c19-15(13-7-3-9-21-13)17-11-5-1-2-6-12(11)18-16(20)14-8-4-10-22-14/h3-4,7-12H,1-2,5-6H2,(H,17,19)(H,18,20)/t11-,12-/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(Cl)(Cl)Cl)CSC4=CC=CC=C4OC
InChI: InChI=1S/C29H30Cl3NO5S/c1-18-24(17-39-25-6-4-3-5-23(25)36-2)37-27(38-26(18)21-11-9-20(16-34)10-12-21)22-13-7-19(8-14-22)15-33-28(35)29(30,31)32/h3-14,18,24,26-27,34H,15-17H2,1-2H3,(H,33,35)/t18-,24+,26+,27+/m0/s1
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@]23O[C@H]4[C@@H](O3)[C@@H]([C@H]([C@@H]([C@H]4OC(=O)C(C)(C)C)OC)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C32H52O9/c1-27(2,3)24(33)37-19-18(36-13)20(38-25(34)28(4,5)6)22-23(21(19)39-26(35)29(7,8)9)41-32(40-22)16-17-14-15-31(32,12)30(17,10)11/h17-23H,14-16H2,1-13H3/t17-,18-,19-,20+,21+,22+,23-,31-,32+/m0/s1
SMILES: COC(=O)[C@H]1CCCON2[C@@H]1C3=C(CC2)C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C23H24N2O5S/c1-29-23(26)19-11-7-15-30-24-14-13-18-17-10-5-6-12-20(17)25(22(18)21(19)24)31(27,28)16-8-3-2-4-9-16/h2-6,8-10,12,19,21H,7,11,13-15H2,1H3/t19-,21-/m0/s1
SMILES: C[C@@H]([C@](C(C)C)(C(=O)OC[C@H]1CCN2[C@@H]1CCC2)O)O
InChI: InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11-,12+,13+,15+/m0/s1
SMILES: COCC1=CN(N=N1)C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCC4=CC=C(C=C4)F
InChI: InChI=1S/C20H26FN5O2/c1-28-13-17-10-26(24-23-17)11-18-8-15-6-7-25(18)12-19(15)20(27)22-9-14-2-4-16(21)5-3-14/h2-5,10,15,18-19H,6-9,11-13H2,1H3,(H,22,27)/t15-,18-,19+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=C(C([C@H](C(=O)N2)C#N)(C)C)C#N
InChI: InChI=1S/C19H26N4O2S/c1-11-7-5-6-8-15(11)22-16(24)12(2)26-18-14(10-21)19(3,4)13(9-20)17(25)23-18/h11-13,15H,5-8H2,1-4H3,(H,22,24)(H,23,25)/t11-,12+,13-,15+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)OCC6=CC=C(C=C6)F)OCC7=CC=CC=C7)O[C@@H](O1)C8=CC=CC=C8
InChI: InChI=1S/C43H40FNO8S/c44-34-22-20-31(21-23-34)28-50-41-40(49-27-30-12-4-1-5-13-30)39-38(29-51-42(53-39)32-14-6-2-7-15-32)52-43(41)48-25-24-33-26-45(37-19-11-10-18-36(33)37)54(46,47)35-16-8-3-9-17-35/h1-23,26,38-43H,24-25,27-29H2/t38-,39-,40+,41-,42-,43-/m1/s1
SMILES: C1CO[C@@]2(CO1)[C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C29H26O9/c30-26(20-10-4-1-5-11-20)34-18-23-24(36-27(31)21-12-6-2-7-13-21)25(29(38-23)19-33-16-17-35-29)37-28(32)22-14-8-3-9-15-22/h1-15,23-25H,16-19H2/t23-,24-,25+,29-/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)C
InChI: InChI=1S/C22H28N2O5/c1-12-9-13(2)19(14(3)10-12)23-18(25)11-29-22(28)15(4)24-20(26)16-7-5-6-8-17(16)21(24)27/h9-10,15-17H,5-8,11H2,1-4H3,(H,23,25)/t15-,16+,17+/m0/s1
SMILES: CN1C[C@@]2([C@H]([C@](C1)(C(=O)C3=CC=CC=C32)[N+](=O)[O-])CC(=O)C4=CC=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H19N3O6/c1-22-12-20(23(27)28)16-10-6-5-9-15(16)19(26)21(13-22,24(29)30)18(20)11-17(25)14-7-3-2-4-8-14/h2-10,18H,11-13H2,1H3/t18-,20-,21-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC(=CC1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI: InChI=1S/C21H18F2O3/c1-2-26-21(25)20-18(14-5-9-17(23)10-6-14)11-15(12-19(20)24)13-3-7-16(22)8-4-13/h3-10,12,18,20H,2,11H2,1H3/t18-,20-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NN=C(O2)COC3=C(C=CC(=C3)C)C
InChI: InChI=1S/C21H29N3O3S/c1-13-8-9-15(3)18(10-13)26-11-20-23-24-21(27-20)28-12-19(25)22-17-7-5-6-14(2)16(17)4/h8-10,14,16-17H,5-7,11-12H2,1-4H3,(H,22,25)/t14-,16-,17-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O
InChI: InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+/m1/s1
SMILES: CC1=C[C@H]([C@]2(C([C@@]1(CCC3=CC=CC=C3OC)O)CC[C@@]4(C2[C@@H]([C@@H]([C@@]5(C4C=CCOC5)C(C)OC(=O)C)OC(=O)C)OC(=O)C)C)C)OC(=O)C
InChI: InChI=1S/C40H54O11/c1-23-21-33(49-26(4)42)38(8)32(40(23,45)19-16-29-13-10-11-14-30(29)46-9)17-18-37(7)31-15-12-20-47-22-39(31,24(2)48-25(3)41)36(51-28(6)44)34(35(37)38)50-27(5)43/h10-15,21,24,31-36,45H,16-20,22H2,1-9H3/t24?,31?,32?,33-,34+,35?,36+,37+,38-,39-,40+/m1/s1
SMILES: CC1(N([C@@H]([C@H](O1)C2=CC=CC=C2)C(=O)N(C)OC)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C19H28N2O5/c1-18(2,3)26-17(23)21-14(16(22)20(6)24-7)15(25-19(21,4)5)13-11-9-8-10-12-13/h8-12,14-15H,1-7H3/t14-,15+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)C3=CC=CC=C3)OC
InChI: InChI=1S/C20H20N2O3S/c1-12-17(19(23)13-7-5-4-6-8-13)18(22-20(26)21-12)14-9-10-15(24-2)16(11-14)25-3/h4-11,17-18H,1H2,2-3H3,(H2,21,22,26)/t17-,18+/m1/s1
SMILES: CCCN(C1=CC=C(C=C1)OC)C(=O)CC(=O)O[C@H]2[C@@H]3CC[C@]([C@H]2C4=CC5=CC=CC=C5C=C4)(C3(C)C)C
InChI: InChI=1S/C33H39NO4/c1-6-19-34(25-13-15-26(37-5)16-14-25)28(35)21-29(36)38-31-27-17-18-33(4,32(27,2)3)30(31)24-12-11-22-9-7-8-10-23(22)20-24/h7-16,20,27,30-31H,6,17-19,21H2,1-5H3/t27-,30-,31-,33+/m0/s1
SMILES: C1CCC(CC1)C(=O)N2[C@H]([C@@H]3CCC/C(=C\C4=CC=CO4)/C3=N2)C5=CC=CO5
InChI: InChI=1S/C23H26N2O3/c26-23(16-7-2-1-3-8-16)25-22(20-12-6-14-28-20)19-11-4-9-17(21(19)24-25)15-18-10-5-13-27-18/h5-6,10,12-16,19,22H,1-4,7-9,11H2/b17-15+/t19-,22-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@H]5[C@@H]4CC=C3C2)C=C)C)C)O)OC(=O)C)O
InChI: InChI=1S/C29H44O6/c1-6-18-8-10-22-21-9-7-19-15-20(11-13-29(19,5)23(21)12-14-28(18,22)4)35-27-25(32)26(34-17(3)30)24(31)16(2)33-27/h6-7,16,18,20-27,31-32H,1,8-15H2,2-5H3/t16-,18-,20-,21-,22-,23-,24+,25-,26+,27-,28+,29-/m0/s1
SMILES: CC(=O)N[C@H]1C[C@](C[C@H]([C@@H]1O)O)(C(=O)NCC(=O)N)O
InChI: InChI=1S/C11H19N3O6/c1-5(15)14-6-2-11(20,3-7(16)9(6)18)10(19)13-4-8(12)17/h6-7,9,16,18,20H,2-4H2,1H3,(H2,12,17)(H,13,19)(H,14,15)/t6-,7+,9+,11-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H19NO4/c23-19-15-10-4-5-11-16(15)20(24)22(19)17-12-6-7-13-18(17)26-21(25)14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16H,4-5,10-11H2/t15-,16-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O10/c1-4-7(16)10(19)11(20)12(22-4)21-3-6(15)9(18)8(17)5(14)2-13/h2,4-12,14-20H,3H2,1H3/t4-,5-,6+,7-,8+,9+,10+,11+,12+/m0/s1
SMILES: CC(=O)C(CCC#C[Si](C)(C)C)C(=O)O[C@H]1[C@H]2[C@@H](CO[C@]13COC(O3)(C)C)OC(O2)(C)C
InChI: InChI=1S/C23H36O8Si/c1-15(24)16(11-9-10-12-32(6,7)8)20(25)28-19-18-17(29-22(4,5)30-18)13-26-23(19)14-27-21(2,3)31-23/h16-19H,9,11,13-14H2,1-8H3/t16?,17-,18-,19+,23+/m1/s1
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C21H24N2O6/c1-13(24)22-15-8-6-14(7-9-15)18(25)12-29-19(26)10-11-23-20(27)16-4-2-3-5-17(16)21(23)28/h6-9,16-17H,2-5,10-12H2,1H3,(H,22,24)/t16-,17-/m1/s1
SMILES: C[C@H]1C(=O)O[C@@H]2[C@]1([C@H]([C@@H]3[C@@]([C@H](CCC(=C)[C@@H]2Cl)OC(=O)C(C)C)([C@H](C[C@H]([C@]34CO4)OC(=O)CC(C)C)OC(=O)C)C)OC(=O)C)O
InChI: InChI=1S/C33H47ClO12/c1-15(2)12-24(37)44-23-13-22(42-19(7)35)31(9)21(45-29(38)16(3)4)11-10-17(5)25(34)27-33(40,18(6)30(39)46-27)28(43-20(8)36)26(31)32(23)14-41-32/h15-16,18,21-23,25-28,40H,5,10-14H2,1-4,6-9H3/t18-,21-,22-,23+,25-,26+,27-,28-,31-,32+,33+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[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)CCCN3C=C(NN3)C4=CC=C(C=C4)C(F)(F)F)C)O)(C)O
InChI: InChI=1S/C43H68F3N5O10/c1-12-33-42(8,57)37(55)28(6)51(34(52)14-13-19-50-23-31(47-48-50)29-15-17-30(18-16-29)43(44,45)46)22-24(2)21-41(7,58-11)38(26(4)35(53)27(5)39(56)60-33)61-40-36(54)32(49(9)10)20-25(3)59-40/h15-18,23-28,32-33,36-38,40,47-48,54-55,57H,12-14,19-22H2,1-11H3/t24-,25-,26+,27-,28-,32+,33-,36-,37-,38-,40+,41-,42-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)COC(=O)CCN3C4=CC=CC=C4OC3=O
InChI: InChI=1S/C21H26N2O5/c24-19(22-12-5-7-15-6-1-2-8-16(15)22)14-27-20(25)11-13-23-17-9-3-4-10-18(17)28-21(23)26/h3-4,9-10,15-16H,1-2,5-8,11-14H2/t15-,16+/m0/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=C(C=C2)CN3[C@H]4C(=O)O[C@@H]5C[C@]4([C@H](O3)[C@@H]6[C@H]5OC7(O6)CC8=CC=CC=C8C7)C(=O)N(C)[C@H](CC9=CC=CC=C9)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)C
InChI: InChI=1S/C53H61N3O14/c1-50(2,3)67-40(59)23-21-36(29-57)54-46(60)37(24-32-12-8-7-9-13-32)55(6)49(63)53-27-38-41-42(69-52(68-41)25-34-14-10-11-15-35(34)26-52)44(53)70-56(43(53)47(61)65-38)28-33-18-16-31(17-19-33)20-22-39(58)66-45-48(62)64-30-51(45,4)5/h7-20,22,36-38,41-45,57H,21,23-30H2,1-6H3,(H,54,60)/t36-,37+,38+,41-,42-,43-,44+,45-,53-/m0/s1
SMILES: CC(CCC(C(C)CO)O)[C@H]1CCC2[C@@]1(CCC3C2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)NCCCNCCCCN)C)O)C
InChI: InChI=1S/C34H65N3O3/c1-23(8-11-30(39)24(2)22-38)27-9-10-28-32-29(13-15-34(27,28)4)33(3)14-12-26(20-25(33)21-31(32)40)37-19-7-18-36-17-6-5-16-35/h23-32,36-40H,5-22,35H2,1-4H3/t23?,24?,25-,26+,27-,28?,29?,30?,31-,32?,33+,34-/m1/s1
SMILES: CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)C1=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H54O3Si2/c1-14-15-16-21(2)19-23(30-32(10,11)27(4,5)6)17-18-24-22(3)25(29)20-26(24)31-33(12,13)28(7,8)9/h17-18,21,23-24,26H,3,14-16,19-20H2,1-2,4-13H3/b18-17+/t21-,23+,24+,26+/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)NC3=O)C4=CC=CS4
InChI: InChI=1S/C15H12N2O3S/c18-14-11-12(10-7-4-8-21-10)17(9-5-2-1-3-6-9)20-13(11)15(19)16-14/h1-8,11-13H,(H,16,18,19)/t11-,12+,13+/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)C(=O)C3=CC=C(C=C3)NS(=O)(=O)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C24H28N2O3S/c27-24(26-16-14-20-8-4-5-9-22(20)18-26)21-10-12-23(13-11-21)25-30(28,29)17-15-19-6-2-1-3-7-19/h1-3,6-7,10-13,15,17,20,22,25H,4-5,8-9,14,16,18H2/b17-15+/t20-,22+/m0/s1
SMILES: COC1=C(C(=C(C(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)NC4=O)Br)Br)O
InChI: InChI=1S/C23H16Br3NO6/c1-33-14-5-10(18(25)19(26)21(14)30)15-7-2-3-8-16(23(32)27-22(8)31)9(7)4-11-17(15)13(28)6-12(24)20(11)29/h2,5-6,8-9,15-16,30H,3-4H2,1H3,(H,27,31,32)/t8-,9+,15+,16-/m0/s1