EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCNC3=C(C=C(C=C3)C(=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C17H17N3O6/c21-15-11-3-1-2-4-12(11)16(22)19(15)8-7-18-13-6-5-10(17(23)24)9-14(13)20(25)26/h1-2,5-6,9,11-12,18H,3-4,7-8H2,(H,23,24)/p-1/t11-,12+
SMILES: C1[C@@H]([C@H](CNCC(CO[C@H]([C@@H](OCC(CN1)O)CO)CO)O)O)O
InChI: InChI=1S/C14H30N2O8/c17-5-13-14(6-18)24-8-10(20)2-16-4-12(22)11(21)3-15-1-9(19)7-23-13/h9-22H,1-8H2/t9?,10?,11-,12-,13-,14-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CC[C@H]3[C@@]2(CC[C@H]4[C@@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C
InChI: InChI=1S/C28H38O5S/c1-18-5-8-22(9-6-18)34(30,31)33-26-12-11-24-23-10-7-20-17-21(32-19(2)29)13-15-27(20,3)25(23)14-16-28(24,26)4/h5-9,21,23-26H,10-17H2,1-4H3/t21-,23+,24+,25-,26+,27-,28-/m0/s1
SMILES: CN1[C@@H]([C@H](C1=O)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C16H15NO3S/c1-17-14(12-8-4-2-5-9-12)15(16(17)18)21(19,20)13-10-6-3-7-11-13/h2-11,14-15H,1H3/t14-,15-/m1/s1
SMILES: C1CCC(C1)NC2=C3C(=NC(=N2)Cl)N(C=N3)[C@H]4[C@@H]([C@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10+,11-,14-/m1/s1
SMILES: CCC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3([C@H](CC5(C4)OCCO5)C)C)C)O
InChI: InChI=1S/C25H42O3/c1-5-10-24(26)12-9-20-19-7-6-18-16-25(27-13-14-28-25)15-17(2)23(18,4)21(19)8-11-22(20,24)3/h17-21,26H,5-16H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-,24-/m0/s1
SMILES: C[C@H](C1CCCCC1)NC(=O)O[C@H]2[C@@H](OC3=C(C2=O)C=CC(=C3)OC)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C26H29NO7/c1-15(16-6-4-3-5-7-16)27-26(29)34-25-23(28)19-10-9-18(30-2)13-21(19)33-24(25)17-8-11-20-22(12-17)32-14-31-20/h8-13,15-16,24-25H,3-7,14H2,1-2H3,(H,27,29)/t15-,24+,25-/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)N1OCC(=O)O)NC(=O)/C(=N/OC)/C2=CSC(=N2)N
InChI: InChI=1S/C12H15N5O6S/c1-5-8(11(21)17(5)23-3-7(18)19)15-10(20)9(16-22-2)6-4-24-12(13)14-6/h4-5,8H,3H2,1-2H3,(H2,13,14)(H,15,20)(H,18,19)/b16-9+/t5-,8-/m0/s1
SMILES: CCOC(=O)[C@]1([C@H]2C=CC(=CN2[C@@H]([C@@H]1C3=CC(=CC=C3)Cl)C(=O)N)C(=O)N)C#N
InChI: InChI=1S/C20H19ClN4O4/c1-2-29-19(28)20(10-22)14-7-6-12(17(23)26)9-25(14)16(18(24)27)15(20)11-4-3-5-13(21)8-11/h3-9,14-16H,2H2,1H3,(H2,23,26)(H2,24,27)/t14-,15+,16+,20+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H]3[C@H]([C@H]4N2N=CC=C4)C(=O)N(C3=O)C5=CC(=CC=C5)F
InChI: InChI=1S/C22H16FN3O3/c23-14-8-4-9-15(12-14)25-21(28)17-16-10-5-11-24-26(16)19(18(17)22(25)29)20(27)13-6-2-1-3-7-13/h1-12,16-19H/t16-,17-,18-,19+/m0/s1
SMILES: C[C@@H]1CCCC(=O)OC[C@@H]2[C@H](C=C[C@H](O2)[C@@H](C=CCC(=O)OC[C@H]1OC)C)O
InChI: InChI=1S/C21H32O7/c1-14-6-4-8-20(23)26-12-18(25-3)15(2)7-5-9-21(24)27-13-19-16(22)10-11-17(14)28-19/h4,6,10-11,14-19,22H,5,7-9,12-13H2,1-3H3/t14-,15-,16+,17+,18-,19-/m1/s1
SMILES: CC(C)OC1=C(C=C(C=C1)[C@H]([C@H]2COC(=O)[C@@H]2CC3=CC(=C(C(=C3)OC)O)OC)O)O
InChI: InChI=1S/C23H28O8/c1-12(2)31-18-6-5-14(10-17(18)24)21(25)16-11-30-23(27)15(16)7-13-8-19(28-3)22(26)20(9-13)29-4/h5-6,8-10,12,15-16,21,24-26H,7,11H2,1-4H3/t15-,16+,21-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=NC=CS4)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C23H31N3O2S/c1-22-10-8-16-14(4-7-18-23(16,2)11-9-19(27)26(18)3)15(22)5-6-17(22)20(28)25-21-24-12-13-29-21/h9,11-18H,4-8,10H2,1-3H3,(H,24,25,28)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)OCCN2C(=O)[C@@H]3[C@@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C28H23NO5/c1-33-17-12-10-16(11-13-17)28(32)34-15-14-29-26(30)24-22-18-6-2-3-7-19(18)23(25(24)27(29)31)21-9-5-4-8-20(21)22/h2-13,22-25H,14-15H2,1H3/t22?,23?,24-,25-/m0/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)O
InChI: InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,18-,19-,20-/m0/s1
SMILES: C[C@@H](C(=O)NC1=C(C=CC=C1C(C)C)C(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C23H30N2O3/c1-13(2)16-11-8-12-17(14(3)4)20(16)24-21(26)15(5)25-22(27)18-9-6-7-10-19(18)23(25)28/h6-8,11-15,18-19H,9-10H2,1-5H3,(H,24,26)/t15-,18+,19+/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCCOC)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)CCOCCOCCO
InChI: InChI=1S/C28H41N3O8/c1-5-38-28-22(11-14-36-17-18-37-16-13-32)23(19-24(39-28)26(33)29-12-15-35-4)25-20(2)30(3)31(27(25)34)21-9-7-6-8-10-21/h6-10,19,22-23,28,32H,5,11-18H2,1-4H3,(H,29,33)/t22-,23-,28+/m0/s1
SMILES: C[C@H](CCCCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C29H48O3/c1-20(10-7-6-8-16-28(3,4)32)25-14-15-26-22(11-9-17-29(25,26)5)12-13-23-18-24(30)19-27(31)21(23)2/h12-13,20,24-27,30-32H,2,6-11,14-19H2,1,3-5H3/b22-12+,23-13-/t20-,24-,25-,26+,27+,29-/m1/s1
SMILES: C[C@@H](CCC(=O)OC)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2CC[C@H]4[C@@]3(CCC(=NNC(=O)N)C4)C)C
InChI: InChI=1S/C26H43N3O3/c1-16(5-10-23(30)32-4)20-8-9-21-19-7-6-17-15-18(28-29-24(27)31)11-13-25(17,2)22(19)12-14-26(20,21)3/h16-17,19-22H,5-15H2,1-4H3,(H3,27,29,31)/t16-,17+,19+,20+,21+,22-,25-,26+/m0/s1
SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C19H22O9/c1-7-3-9-4-10(22)5-11(14(9)16(24)13(7)8(2)21)27-19-18(26)17(25)15(23)12(6-20)28-19/h3-5,12,15,17-20,22-26H,6H2,1-2H3/t12-,15-,17+,18-,19-/m1/s1
SMILES: C=C[C@@H]1[C@H](C[C@@H]2[C@H](O1)[C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O
InChI: InChI=1S/C32H36O6/c1-2-27-26(33)18-28-31(38-27)32(36-21-25-16-10-5-11-17-25)30(35-20-24-14-8-4-9-15-24)29(37-28)22-34-19-23-12-6-3-7-13-23/h2-17,26-33H,1,18-22H2/t26-,27+,28+,29+,30+,31-,32-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C5=CN=CC=C5
InChI: InChI=1S/C24H25N5O3S/c1-15-5-2-3-7-19(15)29-23(17-6-4-10-25-12-17)27-28-24(29)33-14-20(30)16-8-9-21-18(11-16)26-22(31)13-32-21/h4,6,8-12,15,19H,2-3,5,7,13-14H2,1H3,(H,26,31)/t15-,19+/m1/s1
SMILES: C1=CC=C(C=C1)NC(=O)O/N=C\2/[C@@H]([C@H]([C@@H]([C@H](O2)P(=O)(O)O)O)O)O
InChI: InChI=1S/C12H15N2O9P/c15-7-8(16)10(22-11(9(7)17)24(19,20)21)14-23-12(18)13-6-4-2-1-3-5-6/h1-5,7-9,11,15-17H,(H,13,18)(H2,19,20,21)/b14-10-/t7-,8-,9+,11-/m1/s1
SMILES: CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C[C@@H]7C[C@](C[N+](C7)(CCCC8=C6NC9=CC=CC=C89)[C@@H](C)C1=CC=CC=C1)(C)O)C(=O)OC)OC)C
InChI: InChI=1S/C54H67N4O9/c1-9-51-22-16-24-57-25-23-52(45(51)57)39-27-40(43(64-6)28-42(39)56(5)46(52)54(63,49(61)66-8)47(51)67-34(3)59)53(48(60)65-7)30-35-29-50(4,62)32-58(31-35,33(2)36-17-11-10-12-18-36)26-15-20-38-37-19-13-14-21-41(37)55-44(38)53/h10-14,16-19,21-22,27-28,33,35,45-47,55,62-63H,9,15,20,23-26,29-32H2,1-8H3/q+1/t33-,35-,45-,46+,47+,50-,51+,52+,53-,54-,58?/m0/s1
SMILES: CC(=O)CCCC(=O)N(CC(F)(F)F)[C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)CO)C(=O)NCCO
InChI: InChI=1S/C25H31F3N2O8/c1-13(33)4-3-5-19(34)30(12-25(26,27)28)17-10-16(24(36)29-6-7-31)20-15-8-14(11-32)9-18(37-2)22(15)38-23(20)21(17)35/h8-10,17,20-21,23,31-32,35H,3-7,11-12H2,1-2H3,(H,29,36)/t17-,20+,21+,23+/m1/s1
SMILES: C1CO[C@@H]([C@@H]1[C@H](C2=CC=CC=C2)N3CCOCC3)N4C5=CC=CC=C5N=N4
InChI: InChI=1S/C21H24N4O2/c1-2-6-16(7-3-1)20(24-11-14-26-15-12-24)17-10-13-27-21(17)25-19-9-5-4-8-18(19)22-23-25/h1-9,17,20-21H,10-15H2/t17-,20-,21-/m0/s1
SMILES: COC1=CC=CC(=C1)C(=O)N2[C@]([C@H]3CCCCCC3=N2)(C(F)(F)F)O
InChI: InChI=1S/C17H19F3N2O3/c1-25-12-7-5-6-11(10-12)15(23)22-16(24,17(18,19)20)13-8-3-2-4-9-14(13)21-22/h5-7,10,13,24H,2-4,8-9H2,1H3/t13-,16-/m0/s1
SMILES: CC(C)C[C@@H](C(=O)OC)NC(=O)CNC(=O)[C@H]1[C@H]([C@@H]([C@@H](N1C(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C43H61N5O12/c1-26(2)20-30(40(53)56-8)46-32(49)22-44-38(51)34-36(58-24-28-16-12-10-13-17-28)37(59-25-29-18-14-11-15-19-29)35(48(34)42(55)60-43(5,6)7)39(52)45-23-33(50)47-31(21-27(3)4)41(54)57-9/h10-19,26-27,30-31,34-37H,20-25H2,1-9H3,(H,44,51)(H,45,52)(H,46,49)(H,47,50)/t30-,31-,34+,35+,36+,37+/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCF)OC(=O)C5CCCCC5)C)O)F)C)F
InChI: InChI=1S/C29H37F3O6/c1-16-11-19-20-13-22(31)21-12-18(33)9-10-26(21,2)28(20,32)23(34)14-27(19,3)29(16,25(36)37-15-30)38-24(35)17-7-5-4-6-8-17/h9-10,12,16-17,19-20,22-23,34H,4-8,11,13-15H2,1-3H3/t16-,19+,20+,22+,23+,26+,27+,28+,29+/m1/s1
SMILES: CC(=O)[C@@]1([C@H](OC(O1)(C)C)CCOCC2=CC=C(C=C2)OC)C
InChI: InChI=1S/C18H26O5/c1-13(19)18(4)16(22-17(2,3)23-18)10-11-21-12-14-6-8-15(20-5)9-7-14/h6-9,16H,10-12H2,1-5H3/t16-,18-/m1/s1
SMILES: CO[C@@H]1C(=C[C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OC
InChI: InChI=1S/C15H18O5/c1-16-12-8-11-13(20-15(12)17-2)9-18-14(19-11)10-6-4-3-5-7-10/h3-8,11,13-15H,9H2,1-2H3/t11-,13+,14+,15-/m0/s1
SMILES: C[C@H]1C(=O)C[C@@]2([C@]13CCC([C@H]3C(=O)C2)(C)C)C
InChI: InChI=1S/C15H22O2/c1-9-10(16)7-14(4)8-11(17)12-13(2,3)5-6-15(9,12)14/h9,12H,5-8H2,1-4H3/t9-,12+,14-,15+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@]34[C@@H]([C@@H]([C@@H](O3)/C(=C/C(=O)OC)/[C@@H]4C(=O)OC)O)Br
InChI: InChI=1S/C27H31BrO7Si/c1-26(2,3)36(17-12-8-6-9-13-17,18-14-10-7-11-15-18)35-27-21(25(31)33-5)19(16-20(29)32-4)23(34-27)22(30)24(27)28/h6-16,21-24,30H,1-5H3/b19-16+/t21-,22-,23+,24-,27+/m1/s1
SMILES: CC1(O[C@H]([C@H](O1)[C@H](/C=C/CO)OCC2=CC=CC=C2)[C@@H](CO[Si](C)(C)C(C)(C)C)OCC3=CC=C(C=C3)OC)C
InChI: InChI=1S/C32H48O7Si/c1-31(2,3)40(7,8)37-23-28(36-22-25-16-18-26(34-6)19-17-25)30-29(38-32(4,5)39-30)27(15-12-20-33)35-21-24-13-10-9-11-14-24/h9-19,27-30,33H,20-23H2,1-8H3/b15-12+/t27-,28+,29+,30-/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=NN4[C@@H](C=C(NC4=N3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C25H19Cl2N5O2/c26-16-9-5-14(6-10-16)20-13-21(15-7-11-17(27)12-8-15)32-24(28-20)29-25(30-32)31-22(33)18-3-1-2-4-19(18)23(31)34/h1-2,5-13,18-19,21H,3-4H2,(H,28,29,30)/t18-,19+,21-/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@H]2O)CC[C@@H]4C3C=C[C@@H](C4)O
InChI: InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,11-17,19-20H,2,4,6-10H2,1H3/t11-,12-,13?,14?,15?,16?,17+,18-/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@](C2)(CNC(=O)C3CCCNC3)O)CS(=O)(=O)N4CCC5(CC4)C=CC6=CC=CC=C56)C
InChI: InChI=1S/C30H43N3O4S/c1-27(2)24-10-12-29(27,30(35,18-24)20-32-26(34)23-7-5-15-31-19-23)21-38(36,37)33-16-13-28(14-17-33)11-9-22-6-3-4-8-25(22)28/h3-4,6,8-9,11,23-24,31,35H,5,7,10,12-21H2,1-2H3,(H,32,34)/t23?,24-,29+,30-/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)O[C@H]2C=CC3=C([C@@H]2O)C(=CC(=C3)OC)OC
InChI: InChI=1S/C20H20O5/c1-12(21)13-4-7-15(8-5-13)25-17-9-6-14-10-16(23-2)11-18(24-3)19(14)20(17)22/h4-11,17,20,22H,1-3H3/t17-,20+/m0/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@@H]([C@@]4(C[C@H](CO3)ON4C)CO[Si](C)(C)C(C)(C)C)O[C@@H]2O1)C
InChI: InChI=1S/C19H35NO6Si/c1-17(2,3)27(7,8)22-11-19-9-12(26-20(19)6)10-21-13-14-16(23-15(13)19)25-18(4,5)24-14/h12-16H,9-11H2,1-8H3/t12-,13-,14-,15+,16-,19-/m1/s1
SMILES: CCOC1=CSC(=N1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C
InChI: InChI=1S/C26H37NO3S/c1-5-29-23-15-31-24(27-23)22-9-8-20-19-7-6-17-14-18(30-16(2)28)10-12-25(17,3)21(19)11-13-26(20,22)4/h6,15,18-22H,5,7-14H2,1-4H3/t18-,19-,20-,21-,22+,25-,26-/m0/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)[C@H](C)OC(=O)C)CSC4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C32H35NO8S/c1-19-28(18-42-27-14-12-25(13-15-27)31(37)38)40-32(41-29(19)24-8-6-23(17-34)7-9-24)26-10-4-22(5-11-26)16-33-30(36)20(2)39-21(3)35/h4-15,19-20,28-29,32,34H,16-18H2,1-3H3,(H,33,36)(H,37,38)/t19-,20-,28+,29+,32?/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=COC5=C(C4)C=C(C=C5)O)C6=CC=C(C=C6)Cl)NC7=CC=C(C=C7)F)[C@@H]8[C@H]1C(=O)N(C8=O)CC9=CC=CS9
InChI: InChI=1S/C40H31ClFN3O6S/c41-24-5-3-23(4-6-24)40-32(37(48)45(39(40)50)43-26-9-7-25(42)8-10-26)18-31-29(35(40)22-16-21-17-27(46)11-14-33(21)51-20-22)12-13-30-34(31)38(49)44(36(30)47)19-28-2-1-15-52-28/h1-12,14-15,17,20,30-32,34-35,43,46H,13,16,18-19H2/t30-,31+,32-,34-,35-,40+/m0/s1
SMILES: C1CN2C[C@H]1[C@H](C2)NC(=O)C3=CN=C(O3)C4=CC(=CC=C4)NC(=O)C(F)(F)F
InChI: InChI=1S/C18H17F3N4O3/c19-18(20,21)17(27)23-12-3-1-2-10(6-12)16-22-7-14(28-16)15(26)24-13-9-25-5-4-11(13)8-25/h1-3,6-7,11,13H,4-5,8-9H2,(H,23,27)(H,24,26)/t11-,13-/m0/s1
SMILES: CN([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)OCC6=CC=CC=C6F)OCC=C)CCCCO)CCCCO)C(=O)OCCC=C
InChI: InChI=1S/C47H56FN3O10/c1-4-6-26-57-46(54)50(3)43-29-41(49-60-30-32-17-19-35(20-18-32)51(55)56)38-27-33(13-9-11-23-52)37(15-10-12-24-53)44-39-28-36(58-31-34-14-7-8-16-40(34)48)21-22-42(39)61-47(43,45(38)44)59-25-5-2/h4-5,7-8,14,16-22,27-28,33,37,43-45,52-53H,1-2,6,9-13,15,23-26,29-31H2,3H3/t33-,37+,43-,44+,45+,47+/m0/s1
SMILES: C[C@@H]([C@@H]1CC[C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H]([C@@H]2O)N(C)C(=O)CNC(=O)OCC3=CC=CC=C3)OC)O)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C49H59N5O14/c1-31(51-47(59)64-28-33-18-10-5-11-19-33)37-25-24-36(52-48(60)65-29-34-20-12-6-13-21-34)45(67-37)68-43-39(53-49(61)66-30-35-22-14-7-15-23-35)41(56)44(62-3)40(42(43)57)54(2)38(55)26-50-46(58)63-27-32-16-8-4-9-17-32/h4-23,31,36-37,39-45,56-57H,24-30H2,1-3H3,(H,50,58)(H,51,59)(H,52,60)(H,53,61)/t31-,36+,37-,39+,40+,41+,42-,43+,44+,45-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](CC(=CC1=O)C2=CC=C(C=C2)OC)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C24H26O6/c1-5-30-24(26)23-20(19-14-18(28-3)10-11-22(19)29-4)12-16(13-21(23)25)15-6-8-17(27-2)9-7-15/h6-11,13-14,20,23H,5,12H2,1-4H3/t20-,23+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C18H25NO5/c1-12-6-4-5-7-15(12)19-17(20)11-24-18(21)14-9-8-13(22-2)10-16(14)23-3/h8-10,12,15H,4-7,11H2,1-3H3,(H,19,20)/t12-,15+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@]1(C[C@]([C@@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)C)(C)O)C
InChI: InChI=1S/C23H30O5/c1-13(24)27-16-6-8-17-15(11-16)5-7-18-19-9-10-20(28-14(2)25)22(19,3)12-23(4,26)21(17)18/h6,8,11,18-21,26H,5,7,9-10,12H2,1-4H3/t18-,19+,20-,21-,22+,23-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC5=CC=CC=C5C=C4)C6=CC=C(C=C6)F
InChI: InChI=1S/C27H19FN2O3/c28-20-13-10-18(11-14-20)24-23-25(33-30(24)21-8-2-1-3-9-21)27(32)29(26(23)31)22-15-12-17-6-4-5-7-19(17)16-22/h1-16,23-25H/t23-,24+,25+/m0/s1
SMILES: C[C@H](C1=C[C@@]2(C=C[C@H]3[C@@H]2[C@H](OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)O
InChI: InChI=1S/C21H26O12/c1-8(23)10-5-21(33-18(10)28)4-3-9-11(17(27)29-2)7-30-19(13(9)21)32-20-16(26)15(25)14(24)12(6-22)31-20/h3-5,7-9,12-16,19-20,22-26H,6H2,1-2H3/t8-,9-,12?,13-,14?,15?,16?,19-,20?,21-/m1/s1
SMILES: CC(C)S(=O)(=O)N[C@H]1CCC[C@@H]1C2=CC=C(C=C2)C3=CC=C(C=C3)CCNC(=O)C(F)(F)F
InChI: InChI=1S/C24H29F3N2O3S/c1-16(2)33(31,32)29-22-5-3-4-21(22)20-12-10-19(11-13-20)18-8-6-17(7-9-18)14-15-28-23(30)24(25,26)27/h6-13,16,21-22,29H,3-5,14-15H2,1-2H3,(H,28,30)/t21-,22+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)SC#N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H17N3O9S/c1-7(20)25-5-10-12(26-8(2)21)13(27-9(3)22)15(28-10)19-4-11(29-6-17)14(23)18-16(19)24/h4,10,12-13,15H,5H2,1-3H3,(H,18,23,24)/t10-,12-,13-,15-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NCC4=CC=CS4)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C25H34N2O2S/c1-24-12-10-19-17(6-9-21-25(19,2)13-11-22(28)27(21)3)18(24)7-8-20(24)23(29)26-15-16-5-4-14-30-16/h4-5,11,13-14,17-21H,6-10,12,15H2,1-3H3,(H,26,29)/t17-,18-,19-,20+,21+,24-,25+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]2C(=O)[C@H]1C(=C(C2=O)O)C)C3=CC=C(C=C3)C
InChI: InChI=1S/C17H18O3/c1-8-4-6-11(7-5-8)13-9(2)12-10(3)15(18)17(20)14(13)16(12)19/h4-7,9,12-14,18H,1-3H3/t9-,12+,13-,14+/m0/s1
SMILES: C[C@]12CCC[C@]([C@@H]1CC[C@]34[C@@H]2CCC(=O)[C@H]3C=C4)(C)C(=O)OC
InChI: InChI=1S/C20H28O3/c1-18-9-4-10-19(2,17(22)23-3)15(18)8-12-20-11-7-13(20)14(21)5-6-16(18)20/h7,11,13,15-16H,4-6,8-10,12H2,1-3H3/t13-,15-,16-,18+,19+,20+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C(=CC[C@@H]3[C@]2(C(=O)C=C(C3=O)C)C)C=C)O
InChI: InChI=1S/C22H24O4/c1-5-14-7-9-16-21(25)13(3)11-19(24)22(16,4)20(14)15-8-10-17(23)18(12-15)26-6-2/h5,7-8,10-12,16,20,23H,1,6,9H2,2-4H3/t16-,20+,22-/m0/s1
SMILES: CN(CC=C)[C@@H]1CC2=CC(=C(C=C2[C@H]1C3=CC=CC=C3)OC)F.Cl
InChI: InChI=1S/C20H22FNO.ClH/c1-4-10-22(2)18-12-15-11-17(21)19(23-3)13-16(15)20(18)14-8-6-5-7-9-14;/h4-9,11,13,18,20H,1,10,12H2,2-3H3;1H/t18-,20-;/m1./s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[P@@](=O)(C2CCOC2)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C20H31O3P/c1-15(2)19-10-9-16(3)13-20(19)23-24(21,18-11-12-22-14-18)17-7-5-4-6-8-17/h4-8,15-16,18-20H,9-14H2,1-3H3/t16-,18?,19+,20-,24-/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)NC(=O)CCCN)CO)CO)O)[C@H]([C@@H](CO)O)O)NC(=O)CC4=CC=CC=C4)O
InChI: InChI=1S/C33H51N3O19/c34-8-4-7-19(42)36-30-25(47)24(46)27(18(13-39)51-30)53-31-26(48)29(23(45)17(12-38)52-31)55-33(32(49)50)10-15(40)21(28(54-33)22(44)16(41)11-37)35-20(43)9-14-5-2-1-3-6-14/h1-3,5-6,15-18,21-31,37-41,44-48H,4,7-13,34H2,(H,35,43)(H,36,42)(H,49,50)/t15-,16+,17+,18+,21+,22-,23-,24+,25+,26+,27+,28+,29-,30+,31-,33-/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3SC)CO)O)O
InChI: InChI=1S/C12H16N4O4S/c1-12(19)8(18)6(3-17)20-11(12)16-5-15-7-9(16)13-4-14-10(7)21-2/h4-6,8,11,17-19H,3H2,1-2H3/t6-,8-,11-,12-/m1/s1
SMILES: C[C@H](C1=CC2=CC=CC=C2C=C1)OP3N([C@@H]4CCCC[C@H]4N3C)C
InChI: InChI=1S/C20H27N2OP/c1-15(17-13-12-16-8-4-5-9-18(16)14-17)23-24-21(2)19-10-6-7-11-20(19)22(24)3/h4-5,8-9,12-15,19-20H,6-7,10-11H2,1-3H3/t15-,19-,20-/m1/s1
SMILES: CC/C=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.O.Cl
InChI: InChI=1S/C23H29N5O8S2.ClH.H2O/c1-5-6-12(13-9-38-21(24)26-13)16(29)27-14-17(30)28-15(11(7-34-22(25)33)8-37-18(14)28)19(31)35-10-36-20(32)23(2,3)4;;/h6,9,14,18H,5,7-8,10H2,1-4H3,(H2,24,26)(H2,25,33)(H,27,29);1H;1H2/b12-6+;;/t14-,18-;;/m1../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)OCCO)C(=O)N(C4=O)CC6=CC=CC=C6)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C36H34N2O6/c1-36-29(33(41)38(35(36)43)24-10-6-3-7-11-24)20-28-26(31(36)23-12-14-25(15-13-23)44-19-18-39)16-17-27-30(28)34(42)37(32(27)40)21-22-8-4-2-5-9-22/h2-16,27-31,39H,17-21H2,1H3/t27-,28+,29-,30-,31-,36+/m0/s1
SMILES: CO[C@@H]1[C@H]2[C@H]([C@H]3[C@H](O1)COC(O3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5C=CCCC(=O)O2
InChI: InChI=1S/C26H26O8/c1-29-26-23-22(21-19(31-26)15-30-25(34-21)17-11-3-2-4-12-17)33-24(28)18-13-7-5-9-16(18)10-6-8-14-20(27)32-23/h2-7,9-13,19,21-23,25-26H,8,14-15H2,1H3/t19-,21-,22+,23-,25?,26+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4N2C5=CC=CC=C5C=C4)C(=O)NC3=O
InChI: InChI=1S/C21H16N2O3/c24-19(13-7-2-1-3-8-13)18-17-16(20(25)22-21(17)26)15-11-10-12-6-4-5-9-14(12)23(15)18/h1-11,15-18H,(H,22,25,26)/t15-,16-,17-,18+/m1/s1
SMILES: CCONC1=C2C(=CN(C2=NC=N1)[C@H]3[C@]([C@@H]([C@H](O3)CO)O)(C)F)C#C
InChI: InChI=1S/C16H19FN4O4/c1-4-9-6-21(15-16(3,17)12(23)10(7-22)25-15)14-11(9)13(18-8-19-14)20-24-5-2/h1,6,8,10,12,15,22-23H,5,7H2,2-3H3,(H,18,19,20)/t10-,12-,15-,16-/m1/s1
SMILES: C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)[C@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6
InChI: InChI=1S/C23H25N3O5/c27-19(12-26-22(28)20-15-2-3-16(10-15)21(20)23(26)29)25-7-5-24(6-8-25)11-14-1-4-17-18(9-14)31-13-30-17/h1-4,9,15-16,20-21H,5-8,10-13H2/p+1/t15-,16+,20-,21-/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC=C(O5)CO)C)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C
InChI: InChI=1S/C36H35ClN4O6S/c1-5-12-40-32(43)21-9-8-20-23(29(21)34(40)45)14-24-33(44)41(35(46)36(24,3)30(20)26-10-7-19(16-42)47-26)28-15-25(38-39(28)4)31-17(2)22-13-18(37)6-11-27(22)48-31/h6-8,10-11,13,15,21,23-24,29-30,42H,5,9,12,14,16H2,1-4H3/t21-,23+,24-,29-,30+,36+/m0/s1
SMILES: C[C@@]1(C2[C@H](CCC1=O)C3CC[C@@H]4C[C@@]3([C@H]2C(=O)OC)CC4=C)C(=O)OC
InChI: InChI=1S/C21H28O5/c1-11-9-21-10-12(11)5-7-14(21)13-6-8-15(22)20(2,19(24)26-4)16(13)17(21)18(23)25-3/h12-14,16-17H,1,5-10H2,2-4H3/t12-,13-,14?,16?,17-,20-,21+/m1/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=CC=CC=C4OCCO)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)N(C5=O)CCCC(=O)O
InChI: InChI=1S/C28H26BrNO8/c29-19-13-20(32)25-18(26(19)35)12-17-14(23(25)15-4-1-2-5-21(15)38-11-10-31)7-8-16-24(17)28(37)30(27(16)36)9-3-6-22(33)34/h1-2,4-5,7,13,16-17,23-24,31H,3,6,8-12H2,(H,33,34)/t16-,17+,23+,24-/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)C=C)C(=O)N(C3=O)C7=CC=C(C=C7)C=C)Cl)O
InChI: InChI=1S/C37H31ClN2O6/c1-4-19-6-10-22(11-7-19)39-34(42)25-15-14-24-26(31(25)36(39)44)18-27-32(30(24)21-16-28(38)33(41)29(17-21)46-3)37(45)40(35(27)43)23-12-8-20(5-2)9-13-23/h4-14,16-17,25-27,30-32,41H,1-2,15,18H2,3H3/t25-,26+,27+,30-,31-,32+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=CC=C(C5=CC=CC=C45)O)C6=CC=CC=C6)C7=CC=CC=C7)[C@@H]8[C@H]1C(=O)N(C8=O)CCCC(=O)O
InChI: InChI=1S/C42H35NO7/c44-34-20-19-28(26-14-7-8-15-27(26)34)38-29-17-18-30-37(41(50)43(40(30)49)21-9-16-36(46)47)32(29)22-33-39(48)31(24-10-3-1-4-11-24)23-35(45)42(33,38)25-12-5-2-6-13-25/h1-8,10-15,17,19-20,23,30,32-33,37-38,44H,9,16,18,21-22H2,(H,46,47)/t30-,32+,33-,37-,38-,42-/m0/s1
SMILES: C=CCOC1=CC=C(C=C1)[C@@H]2[C@@]3(C(=N)O[C@@]4(O2)CCCC[C@@H]4C3(C#N)C#N)C#N
InChI: InChI=1S/C22H20N4O3/c1-2-11-27-16-8-6-15(7-9-16)18-21(14-25)19(26)29-22(28-18)10-4-3-5-17(22)20(21,12-23)13-24/h2,6-9,17-18,26H,1,3-5,10-11H2/t17-,18-,21-,22+/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1C3=C(C4=CC=CC=C4C(=C3)[N+](=O)[O-])NC2
InChI: InChI=1S/C16H14N2O2/c19-18(20)15-8-14-11-7-3-4-10(11)9-17-16(14)13-6-2-1-5-12(13)15/h1-6,8,10-11,17H,7,9H2/t10-,11-/m0/s1
SMILES: CCOC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@@H]2C=CC3)C4=CC(=CC=C4)Br
InChI: InChI=1S/C21H20BrNO2/c1-2-25-21(24)14-9-10-19-18(12-14)16-7-4-8-17(16)20(23-19)13-5-3-6-15(22)11-13/h3-7,9-12,16-17,20,23H,2,8H2,1H3/t16-,17-,20-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@@]2(CC3=C1N=C(S3)NC(=O)C4=CC=C(C=C4)OC)C)[C@H](C)C(=O)N(C)CCC#N)O
InChI: InChI=1S/C28H36N4O4S/c1-16(26(35)32(4)14-6-13-29)20-11-12-28(3)15-21-23(17(2)22(28)24(20)33)30-27(37-21)31-25(34)18-7-9-19(36-5)10-8-18/h7-10,16-17,20,22,24,33H,6,11-12,14-15H2,1-5H3,(H,30,31,34)/t16-,17-,20-,22+,24-,28+/m0/s1
SMILES: CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H26N2O5/c1-13-7-8-14(2)17(11-13)22-18(24)12-28-19(25)9-10-23-20(26)15-5-3-4-6-16(15)21(23)27/h7-8,11,15-16H,3-6,9-10,12H2,1-2H3,(H,22,24)/t15-,16+
SMILES: C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4F)[C@]5([NH+]2C1)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C22H18FN3O3/c23-13-7-2-4-9-15(13)26-19(27)17-16-10-5-11-25(16)22(18(17)20(26)28)12-6-1-3-8-14(12)24-21(22)29/h1-4,6-9,16-18H,5,10-11H2,(H,24,29)/p+1/t16-,17+,18-,22+/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@H]1CN(CC2=NN(C(=C2)C)C)C(=O)[C@@H]3CCCN3C(=O)C
InChI: InChI=1S/C20H30N4O4/c1-5-28-20(27)17-10-15(17)11-23(12-16-9-13(2)22(4)21-16)19(26)18-7-6-8-24(18)14(3)25/h9,15,17-18H,5-8,10-12H2,1-4H3/t15-,17+,18-/m0/s1
SMILES: C[C@H](CCCCCCCCC[C@H]1[C@@H](OC(O1)(C)C)/C=C/C(=O)OC)OC(=O)C
InChI: InChI=1S/C22H38O6/c1-17(26-18(2)23)13-11-9-7-6-8-10-12-14-19-20(15-16-21(24)25-5)28-22(3,4)27-19/h15-17,19-20H,6-14H2,1-5H3/b16-15+/t17-,19+,20+/m1/s1
SMILES: C[C@H]1[C@@H]2C(C(=O)[C@@](O2)(CC1=O)C(C)(C)C)C(C)(C)C
InChI: InChI=1S/C16H26O3/c1-9-10(17)8-16(15(5,6)7)13(18)11(12(9)19-16)14(2,3)4/h9,11-12H,8H2,1-7H3/t9-,11?,12-,16+/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)/C=C\[N-][C@@H]2[C@H](CCCC2)[N-]/C=C\C(=O)C3=CC=C(C=C3)OC.[Ni+2]
InChI: InChI=1S/C26H30N2O4.Ni/c1-31-21-11-7-19(8-12-21)25(29)15-17-27-23-5-3-4-6-24(23)28-18-16-26(30)20-9-13-22(32-2)14-10-20;/h7-18,23-24H,3-6H2,1-2H3,(H2,27,28,29,30);/q;+2/p-2/t23-,24-;/m0./s1
SMILES: C1C=C[C@@H]2[C@@H]1/C(=N\NC(=O)C3=CC4=CC=CC=C4C=C3O)/C2
InChI: InChI=1S/C18H16N2O2/c21-17-10-12-5-2-1-4-11(12)8-15(17)18(22)20-19-16-9-13-6-3-7-14(13)16/h1-6,8,10,13-14,21H,7,9H2,(H,20,22)/b19-16-/t13-,14+/m0/s1
SMILES: C[C@@H]1/C=C(/C=C(/C(=O)O[C@@H](C/C=C/C=C/C[C@H]([C@H]2[C@@H]([C@@H]1O)O2)O)[C@@H](C)CCC(C(C)C(C(C)C(C)OC)O)O)\C)\C
InChI: InChI=1S/C33H54O8/c1-19-17-21(3)29(36)32-31(41-32)27(35)13-11-9-10-12-14-28(40-33(38)22(4)18-19)20(2)15-16-26(34)24(6)30(37)23(5)25(7)39-8/h9-12,17-18,20-21,23-32,34-37H,13-16H2,1-8H3/b11-9+,12-10+,19-17+,22-18+/t20-,21+,23?,24?,25?,26?,27+,28-,29+,30?,31-,32+/m0/s1
SMILES: C[C@H]1C[C@@H](OC12CC[C@]3([C@H]2C/C=C(\[C@H]4[C@H](C3)C(=CC4=O)C)/CO)C)C=C(C)C
InChI: InChI=1S/C25H36O3/c1-15(2)10-19-12-17(4)25(28-19)9-8-24(5)13-20-16(3)11-21(27)23(20)18(14-26)6-7-22(24)25/h6,10-11,17,19-20,22-23,26H,7-9,12-14H2,1-5H3/b18-6-/t17-,19-,20+,22+,23-,24+,25?/m0/s1