EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@]12[C@H]3[C@H]4C[C@@H]([C@H]3[C@@]1([C@@H]5[C@H]2[C@@H]6C[C@H]5C7=C6C=CC(=C7)[N+](=O)[O-])C)[C@H]8[C@@H]4[C@H]9CC[C@@H]8[C@H]([C@@H]9C(=O)OC)C(=O)OC
InChI: InChI=1S/C32H37NO6/c1-31-25-17-10-18(16-9-12(33(36)37)5-6-13(16)17)26(25)32(31,2)28-20-11-19(27(28)31)21-14-7-8-15(22(20)21)24(30(35)39-4)23(14)29(34)38-3/h5-6,9,14-15,17-28H,7-8,10-11H2,1-4H3/t14-,15+,17-,18+,19+,20-,21-,22+,23-,24-,25-,26+,27+,28-,31-,32+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=C(C=CC(=C4)C(=O)O)Cl
InChI: InChI=1S/C16H12ClNO4/c17-10-4-3-9(16(21)22)6-11(10)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,12-13H,5H2,(H,21,22)/t7-,8+,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=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCC(=O)O)CN5C=NC6=CC=CC=C65
InChI: InChI=1S/C37H37N3O6/c1-24-33(21-40-23-39-31-10-2-3-11-32(31)40)45-37(46-36(24)27-14-12-25(22-41)13-15-27)30-9-5-8-29(19-30)28-7-4-6-26(18-28)20-38-34(42)16-17-35(43)44/h2-15,18-19,23-24,33,36-37,41H,16-17,20-22H2,1H3,(H,38,42)(H,43,44)/t24-,33+,36+,37+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]1Cl)C/C=C\CCCC(=O)O)COC2=CC=CC=C2)O
InChI: InChI=1S/C19H25ClO4/c20-17-12-18(21)16(13-24-14-8-4-3-5-9-14)15(17)10-6-1-2-7-11-19(22)23/h1,3-6,8-9,15-18,21H,2,7,10-13H2,(H,22,23)/b6-1-/t15-,16-,17-,18-/m1/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC[C@@H](CN2CCC3=CC=CC=C3C2)O)C(C)C
InChI: InChI=1S/C22H35NO2/c1-16(2)21-9-8-17(3)12-22(21)25-15-20(24)14-23-11-10-18-6-4-5-7-19(18)13-23/h4-7,16-17,20-22,24H,8-15H2,1-3H3/t17-,20+,21-,22+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3N4C=NC(=C4C5=CC=CC=C5)C6=CC=CC=C6)Cl)OC(=O)C)OC(=O)C
InChI: InChI=1S/C31H27ClN6O7/c1-17(39)42-14-22-26(43-18(2)40)27(44-19(3)41)30(45-22)38-16-34-24-28(35-31(32)36-29(24)38)37-15-33-23(20-10-6-4-7-11-20)25(37)21-12-8-5-9-13-21/h4-13,15-16,22,26-27,30H,14H2,1-3H3/t22-,26-,27-,30-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2C3=NO[C@H]4[C@@H]3[C@@H](O2)CCC4
InChI: InChI=1S/C15H17NO3/c1-17-10-7-5-9(6-8-10)15-14-13-11(18-15)3-2-4-12(13)19-16-14/h5-8,11-13,15H,2-4H2,1H3/t11-,12+,13-,15-/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OCCN6CC6)CCCCO)CCCCO)SCCC7=CC=NC=C7
InChI: InChI=1S/C45H56N4O8S/c1-2-25-55-45-42(58-27-17-32-15-18-46-19-16-32)30-40(47-56-31-33-9-11-35(12-10-33)49(52)53)38-28-34(7-3-5-23-50)37(8-4-6-24-51)43(44(38)45)39-29-36(13-14-41(39)57-45)54-26-22-48-20-21-48/h2,9-16,18-19,28-29,34,37,42-44,50-51H,1,3-8,17,20-27,30-31H2/t34-,37+,42-,43+,44+,45+/m0/s1
SMILES: CC[C@@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CO3)C(=O)N(C2=O)CC)C(=O)OCC
InChI: InChI=1S/C17H22N2O5/c1-4-17(16(22)23-6-3)12-11(14(20)19(5-2)15(12)21)13(18-17)10-8-7-9-24-10/h7-9,11-13,18H,4-6H2,1-3H3/p+1/t11-,12+,13-,17+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)CCC[NH+]2CN3C(=O)C(=O)N(C3=O)CCC4=CC=CS4
InChI: InChI=1S/C19H25N3O3S/c23-17-18(24)22(19(25)21(17)11-9-15-7-4-12-26-15)13-20-10-3-6-14-5-1-2-8-16(14)20/h4,7,12,14,16H,1-3,5-6,8-11,13H2/p+1/t14-,16+/m1/s1
SMILES: COC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC)OC)OC
InChI: InChI=1S/C38H50O11/c1-39-24-29-31(40-2)33(41-3)35(42-4)38(49-29)47-25-30-32(44-21-26-15-9-6-10-16-26)34(45-22-27-17-11-7-12-18-27)36(37(43-5)48-30)46-23-28-19-13-8-14-20-28/h6-20,29-38H,21-25H2,1-5H3/t29-,30-,31+,32+,33+,34+,35-,36-,37-,38-/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C(=CC=C5)F)O)C(=O)C(=CC4=O)C
InChI: InChI=1S/C26H24FNO5/c1-3-9-28-25(32)15-8-7-13-16(21(15)26(28)33)11-17-19(29)10-12(2)23(30)22(17)20(13)14-5-4-6-18(27)24(14)31/h4-7,10,15-16,20-21,31H,3,8-9,11H2,1-2H3/t15-,16+,20+,21-/m0/s1
SMILES: COC1=C2[C@@H]3C[C@H](C2=C(C4=CC5=CC=CC=C5C=C41)OC)[C@@H]6[C@H]3[C@@]7([C@]6([C@@H]8[C@H]7[C@@H]9C[C@H]8C=C9)COS(=O)(=O)C)COS(=O)(=O)C
InChI: InChI=1S/C34H36O8S2/c1-39-31-21-12-17-7-5-6-8-18(17)13-22(21)32(40-2)26-24-14-23(25(26)31)29-30(24)34(16-42-44(4,37)38)28-20-10-9-19(11-20)27(28)33(29,34)15-41-43(3,35)36/h5-10,12-13,19-20,23-24,27-30H,11,14-16H2,1-4H3/t19-,20+,23-,24+,27+,28-,29-,30+,33+,34-
SMILES: CC[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)[C@H]3C[C@@H]3C4=CC=CC=C4
InChI: InChI=1S/C21H24N2O2S/c1-2-12-8-9-14-17(10-12)26-21(18(14)19(22)24)23-20(25)16-11-15(16)13-6-4-3-5-7-13/h3-7,12,15-16H,2,8-11H2,1H3,(H2,22,24)(H,23,25)/t12-,15-,16+/m1/s1
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
InChI: InChI=1S/C35H54O13/c1-17-30(48-31-29(41)28(40)27(39)24(15-36)47-31)23(37)13-26(45-17)46-19-4-8-32(2)21-5-9-33(3)20(18-12-25(38)44-16-18)7-11-35(33,43)22(21)6-10-34(32,42)14-19/h12,17,19-24,26-31,36-37,39-43H,4-11,13-16H2,1-3H3/t17-,19+,20-,21?,22?,23+,24-,26+,27-,28+,29-,30-,31+,32-,33-,34+,35+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SCCOC(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)[O-])C6CC6)F)C(=O)[O-])[C@@H](C)O.[Na+].[Na+]
InChI: InChI=1S/C30H33FN4O9S.2Na/c1-14-23-22(15(2)36)27(38)35(23)24(29(41)42)26(14)45-10-9-44-30(43)33-7-5-32(6-8-33)21-12-20-17(11-19(21)31)25(37)18(28(39)40)13-34(20)16-3-4-16;;/h11-16,22-23,36H,3-10H2,1-2H3,(H,39,40)(H,41,42);;/q;2*+1/p-2/t14-,15-,22-,23-;;/m1../s1
SMILES: C[C@@]1(CC[C@@H]2[C@]3(CCC4=COC=C4C3CC[C@]2(O1)O)C)C=C
InChI: InChI=1S/C19H26O3/c1-4-17(2)8-7-16-18(3)9-5-13-11-21-12-14(13)15(18)6-10-19(16,20)22-17/h4,11-12,15-16,20H,1,5-10H2,2-3H3/t15?,16-,17+,18+,19-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](N=C(NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=CO4
InChI: InChI=1S/C22H26N4O4/c1-2-29-21(28)18-19(17-9-6-14-30-17)23-22(24-20(18)27)26-12-10-25(11-13-26)15-16-7-4-3-5-8-16/h3-9,14,18-19H,2,10-13,15H2,1H3,(H,23,24,27)/p+1/t18-,19-/m0/s1
SMILES: C[C@]12CCC[C@@]3([C@@H]1CCC(=C)[C@H]3CCC4=COC=C4)C(=O)OC2
InChI: InChI=1S/C20H26O3/c1-14-4-7-17-19(2)9-3-10-20(17,18(21)23-13-19)16(14)6-5-15-8-11-22-12-15/h8,11-12,16-17H,1,3-7,9-10,13H2,2H3/t16-,17-,19-,20-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]([C@]23CCCC3=O)Br)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H34BrNO4SSi/c1-16-9-11-18(12-10-16)29(26,27)24-15-17(28-30(5,6)21(2,3)4)14-19(23)22(24)13-7-8-20(22)25/h9-12,17,19H,7-8,13-15H2,1-6H3/t17-,19+,22-/m0/s1
SMILES: CC/C(=N\OC)/[C@H]1[C@@H](CC2CCC1N2CCCN(CC[S-])CC(=NCC[S-])[O-])C3=CC=C(C=C3)F.[O-2].[98Tc+5]
InChI: InChI=1S/C26H41FN4O2S2.O.Tc/c1-3-23(29-33-2)26-22(19-5-7-20(27)8-6-19)17-21-9-10-24(26)31(21)13-4-12-30(14-16-35)18-25(32)28-11-15-34;;/h5-8,21-22,24,26,34-35H,3-4,9-18H2,1-2H3,(H,28,32);;/q;-2;+5/p-3/b29-23+;;/t21?,22-,24?,26+;;/m0../s1/i;;1+0
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)NCC(=O)N)N)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O
InChI: InChI=1S/C20H35N5O13/c1-6(28)24-12-14(32)17(38-20-16(34)15(33)13(31)8(4-26)37-20)9(5-27)36-19(12)25-11(30)2-7(21)18(35)23-3-10(22)29/h7-9,12-17,19-20,26-27,31-34H,2-5,21H2,1H3,(H2,22,29)(H,23,35)(H,24,28)(H,25,30)/t7-,8+,9+,12+,13-,14+,15-,16+,17+,19+,20-/m0/s1
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)OCC(C(F)F)(F)F
InChI: InChI=1S/C20H20F4N2O4S/c1-2-29-11-7-8-14-15(9-11)31-19(25-14)26-16(27)12-5-3-4-6-13(12)17(28)30-10-20(23,24)18(21)22/h3-4,7-9,12-13,18H,2,5-6,10H2,1H3,(H,25,26,27)/t12-,13-/m0/s1
SMILES: B1(O[C@H]2C[C@@H]3C[C@H]([C@]2(O1)C)C3(C)C)[C@H](CCC4=CC=C(C=C4)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI: InChI=1S/C43H65BN6O12/c1-22(2)35(48-38(57)28(15-17-33(52)53)46-37(56)27(45)21-34(54)55)40(59)49-36(23(3)4)41(60)50-18-8-9-29(50)39(58)47-32(16-12-24-10-13-26(51)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36,51H,8-9,12,15-21,45H2,1-7H3,(H,46,56)(H,47,58)(H,48,57)(H,49,59)(H,52,53)(H,54,55)/t25-,27-,28-,29-,30-,31-,32-,35-,36-,43+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@](C1CCC(=O)[C@H]2C/C=C/3\C(COC3=O)O)(C)CO)O
InChI: InChI=1S/C19H28O6/c1-18-8-7-16(23)19(2,10-20)15(18)6-5-13(21)12(18)4-3-11-14(22)9-25-17(11)24/h3,12,14-16,20,22-23H,4-10H2,1-2H3/b11-3+/t12-,14?,15?,16-,18+,19+/m1/s1
SMILES: CCCC(CCC)(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OS(=O)(=O)O)O
InChI: InChI=1S/C21H40O18S2/c1-3-5-21(6-4-2,9-34-19-15(26)17(38-40(28,29)30)13(24)11(7-22)36-19)10-35-20-16(27)18(39-41(31,32)33)14(25)12(8-23)37-20/h11-20,22-27H,3-10H2,1-2H3,(H,28,29,30)(H,31,32,33)/t11-,12-,13+,14+,15-,16-,17+,18+,19-,20-/m1/s1
SMILES: CC(C)[Si]1([C@@]2([C@@H]([C@H]2C(=O)OC)CO1)C(=O)OC)C(C)C
InChI: InChI=1S/C14H24O5Si/c1-8(2)20(9(3)4)14(13(16)18-6)10(7-19-20)11(14)12(15)17-5/h8-11H,7H2,1-6H3/t10-,11+,14-/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4C)C5=CC=C(C=C5)C
InChI: InChI=1S/C28H28N2O5S/c1-6-34-28(33)21-17(4)18(5)36-27(21)29-25(31)22-23(19-13-11-15(2)12-14-19)30(35-24(22)26(29)32)20-10-8-7-9-16(20)3/h7-14,22-24H,6H2,1-5H3/t22-,23+,24-/m0/s1
SMILES: CCOC(=O)N[C@H]1[C@@H]([C@@H]([C@@H](CO1)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H21NO9/c1-5-20-14(19)15-13-12(24-9(4)18)11(23-8(3)17)10(6-21-13)22-7(2)16/h10-13H,5-6H2,1-4H3,(H,15,19)/t10-,11-,12-,13-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=C(N(N=C2C)[C@@H]3CCS(=O)(=O)C3)Cl)/C#N
InChI: InChI=1S/C19H25ClN4O3S/c1-12-5-3-4-6-17(12)22-19(25)14(10-21)9-16-13(2)23-24(18(16)20)15-7-8-28(26,27)11-15/h9,12,15,17H,3-8,11H2,1-2H3,(H,22,25)/b14-9+/t12-,15+,17+/m0/s1
SMILES: CN(C)C1=CC=CC(=C1)C(=O)O[C@@H]2C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC
InChI: InChI=1S/C32H39N3O6/c1-34(2)20-8-6-7-18(13-20)31(36)41-27-14-19-17-35-12-11-23-22-10-9-21(38-3)15-25(22)33-29(23)26(35)16-24(19)28(30(27)39-4)32(37)40-5/h6-10,13,15,19,24,26-28,30,33H,11-12,14,16-17H2,1-5H3/t19-,24+,26-,27-,28+,30+/m1/s1
SMILES: C=CCCCO[C@@H]1C[C@H]2[C@@](O1)(C(=O)O2)COCC3=CC=CC=C3
InChI: InChI=1S/C18H22O5/c1-2-3-7-10-21-16-11-15-18(23-16,17(19)22-15)13-20-12-14-8-5-4-6-9-14/h2,4-6,8-9,15-16H,1,3,7,10-13H2/t15-,16-,18+/m0/s1
SMILES: C1=CC=C2[C@H]3[C@@H]4[C@H]([C@H]([NH+]3C=CC2=C1)C(=O)C5=CC=CS5)C(=O)NC4=O
InChI: InChI=1S/C19H14N2O3S/c22-17(12-6-3-9-25-12)16-14-13(18(23)20-19(14)24)15-11-5-2-1-4-10(11)7-8-21(15)16/h1-9,13-16H,(H,20,23,24)/p+1/t13-,14+,15-,16-/m0/s1
SMILES: C1CCC(C1)CC(=O)N(CC(F)(F)F)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C24H30F3IN2O5/c25-24(26,27)14-30(21(32)11-15-5-1-2-6-15)18-12-16(23(34)29-9-10-31)13-20(22(18)33)35-19-8-4-3-7-17(19)28/h3-4,7-8,13,15,18,20,22,31,33H,1-2,5-6,9-12,14H2,(H,29,34)/t18-,20+,22+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)[C@H]4CSC(=O)O4
InChI: InChI=1S/C17H20O8S2/c1-9-4-6-10(7-5-9)27(19,20)25-13-12(11-8-26-16(18)21-11)22-15-14(13)23-17(2,3)24-15/h4-7,11-15H,8H2,1-3H3/t11-,12-,13+,14-,15-/m1/s1
SMILES: C/C/1=C/C=C(\CC(=O)CC[C@@H]2[C@@H]1CC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)/C4=CC=CC=C4
InChI: InChI=1S/C33H48O/c1-23(2)10-9-11-25(4)31-18-19-32-30-17-16-28(34)22-27(26-12-7-6-8-13-26)15-14-24(3)29(30)20-21-33(31,32)5/h6-8,12-15,23,25,29-32H,9-11,16-22H2,1-5H3/b24-14-,27-15+/t25-,29-,30-,31-,32+,33-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]3[C@@H]([C@H]([C@@H](O2)O[C@H]4[C@@H](C=CO[C@@H]4COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)O3
InChI: InChI=1S/C41H42O10/c42-41-50-37-35(28-44-24-30-15-7-2-8-16-30)48-40(39(38(37)51-41)47-26-32-19-11-4-12-20-32)49-36-33(46-25-31-17-9-3-10-18-31)21-22-45-34(36)27-43-23-29-13-5-1-6-14-29/h1-22,33-40H,23-28H2/t33-,34-,35-,36+,37+,38+,39-,40+/m1/s1
SMILES: C1CN(C[C@@H]([C@H]1NCC2=CC=CC=C2)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C34H33N3O2/c38-34(39-24-26-14-6-2-7-15-26)37-21-20-30(35-22-25-12-4-1-5-13-25)29(23-37)32-28-18-10-11-19-31(28)36-33(32)27-16-8-3-9-17-27/h1-19,29-30,35-36H,20-24H2/t29-,30-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)/C=C/C3=CC(=CC(=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C32H34O14/c1-17(33)39-16-28-29(42-20(4)36)30(43-21(5)37)31(44-22(6)38)32(46-28)45-25-11-9-23(10-12-25)7-8-24-13-26(40-18(2)34)15-27(14-24)41-19(3)35/h7-15,28-32H,16H2,1-6H3/b8-7+/t28-,29-,30+,31-,32-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(P(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)P(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7)CCC8=C3C=CC(=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C57H62O9P2/c1-57-36-35-51-50-30-28-49(61-38-43-17-7-2-8-18-43)37-48(50)27-29-52(51)53(57)31-32-54(57)66-55(58)33-34-56(67(59,62-39-44-19-9-3-10-20-44)63-40-45-21-11-4-12-22-45)68(60,64-41-46-23-13-5-14-24-46)65-42-47-25-15-6-16-26-47/h2-26,28,30,37,51-54,56H,27,29,31-36,38-42H2,1H3/t51-,52-,53+,54+,57+/m1/s1
SMILES: CC1=C2[C@@H]3[C@H]([C@@]4(CC[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C6=NC=C(C=C6)OC)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)O[C@@H](O3)C=C
InChI: InChI=1S/C46H58N2O14/c1-11-31-58-35-32-24(2)29(57-40(52)34(50)33(48-41(53)62-42(4,5)6)28-18-17-27(55-10)22-47-28)21-46(54,43(32,7)8)38(60-39(51)26-15-13-12-14-16-26)36-44(9,37(35)59-31)20-19-30-45(36,23-56-30)61-25(3)49/h11-18,22,29-31,33-38,50,54H,1,19-21,23H2,2-10H3,(H,48,53)/t29-,30+,31+,33-,34+,35+,36-,37+,38-,44+,45-,46+/m0/s1
SMILES: CC(=O)OC1CC=C(C2=C(C3=C(C4=C(C[C@]56[C@@H]7[C@]([C@H]4C(=O)C5=C(C8=C(C=CC(=C8C6=O)OC(=O)C)OC(=O)C)O)(O7)C)C(=C3OC(=O)C)Cl)O[C@@]12C(=O)OC)OC(=O)C)O
InChI: InChI=1S/C41H33ClO18/c1-13(43)54-20-9-10-21(55-14(2)44)25-24(20)31(49)29-32(50)28-23-18(12-40(29,36(25)51)37-39(28,6)60-37)30(42)35(58-17(5)47)26-33(23)59-41(38(52)53-7)22(56-15(3)45)11-8-19(48)27(41)34(26)57-16(4)46/h8-10,22,28,37,48-49H,11-12H2,1-7H3/t22?,28-,37+,39+,40+,41+/m1/s1
SMILES: COC(=O)[C@@H]1CC2=C3C[C@H]([C@H](CC3=C4C[C@@H]([C@@H](CC4=C2C[C@@H]1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI: InChI=1S/C30H36O12/c1-37-25(31)19-7-13-14(8-20(19)26(32)38-2)16-10-22(28(34)40-4)24(30(36)42-6)12-18(16)17-11-23(29(35)41-5)21(9-15(13)17)27(33)39-3/h19-24H,7-12H2,1-6H3/t19-,20+,21-,22-,23+,24+
SMILES: C[C@@H]1C[C@@]2([C@H]3[C@](O3)(C(=O)O2)C)O[C@@H]4[C@H]1[C@]5(CC[C@@]67C[C@]68C(CC=C7[C@@]5(C4)C)C([C@H](CC8=O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)(C)C)C
InChI: InChI=1S/C35H48O10/c1-16-12-35(27-32(6,44-27)28(40)45-35)43-18-13-31(5)20-8-7-19-29(2,3)22(42-26-25(39)24(38)17(36)14-41-26)11-21(37)34(19)15-33(20,34)10-9-30(31,4)23(16)18/h8,16-19,22-27,36,38-39H,7,9-15H2,1-6H3/t16-,17-,18+,19?,22+,23+,24+,25-,26+,27-,30-,31+,32+,33+,34-,35-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3
InChI: InChI=1S/C17H22N2O2S/c1-10-4-3-5-13(11(10)2)19-17(21)12-6-7-15-14(8-12)18-16(20)9-22-15/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,18,20)(H,19,21)/t10-,11-,13+/m1/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)SC3=CC=CC=C3)N=[N+]=[N-])OCC4=CC=CC=C4)O[C@@H](O1)C5=CC=CC=C5
InChI: InChI=1S/C26H25N3O4S/c27-29-28-22-24(30-16-18-10-4-1-5-11-18)23-21(32-26(22)34-20-14-8-3-9-15-20)17-31-25(33-23)19-12-6-2-7-13-19/h1-15,21-26H,16-17H2/t21-,22-,23-,24-,25-,26-/m1/s1
SMILES: COC(=O)C(=C)CO[C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O
InChI: InChI=1S/C25H31NO6/c1-14(23(28)30-2)13-31-18-7-8-25(29)19-11-16-5-6-17(27)21-20(16)24(25,22(18)32-21)9-10-26(19)12-15-3-4-15/h5-6,15,18-19,22,27,29H,1,3-4,7-13H2,2H3/t18-,19-,22+,24+,25-/m1/s1
SMILES: CCCCC[C@@H](CCCCCCCCCC(=O)OC)O[C@H]1[C@@H]([C@@H]2[C@H]([C@H](O1)C)OC(O2)(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O
InChI: InChI=1S/C53H76O12/c1-6-7-16-31-42(32-23-11-9-8-10-12-24-33-44(54)56-5)61-52-50(49-46(38(2)60-52)64-53(3,4)65-49)63-51-45(55)48(59-36-41-29-21-15-22-30-41)47(58-35-40-27-19-14-20-28-40)43(62-51)37-57-34-39-25-17-13-18-26-39/h13-15,17-22,25-30,38,42-43,45-52,55H,6-12,16,23-24,31-37H2,1-5H3/t38-,42+,43-,45-,46+,47-,48-,49+,50-,51+,52+/m1/s1
SMILES: C1C(=O)C=CC(O1)([C@H]2[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)O
InChI: InChI=1S/C31H26O10/c32-23-16-17-31(36,38-18-23)27-26(41-30(35)22-14-8-3-9-15-22)25(40-29(34)21-12-6-2-7-13-21)24(39-27)19-37-28(33)20-10-4-1-5-11-20/h1-17,24-27,36H,18-19H2/t24-,25-,26-,27-,31?/m1/s1
SMILES: C1=CC=C(C=C1)CS(=O)(=O)[C@H]2[C@@H](O2)C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C19H16O3S/c20-23(21,13-14-6-2-1-3-7-14)19-18(22-19)17-11-10-15-8-4-5-9-16(15)12-17/h1-12,18-19H,13H2/t18-,19-/m0/s1
SMILES: CC(=O)C1=CCC2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@@H](C[C@H](C4)O)O)C)C
InChI: InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)11-19(24)21(13,3)18(15)8-9-20(16,17)2/h4,6,14-15,17-19,23-24H,5,7-11H2,1-3H3/t14-,15-,17?,18-,19+,20+,21-/m0/s1
SMILES: CC(=C)C[C@H]1[C@@]23C=C[C@@H](O2)[C@H]([C@H]3C(=O)N1C4=CC=CC5=CC=CC=C54)C(=O)O
InChI: InChI=1S/C23H21NO4/c1-13(2)12-18-23-11-10-17(28-23)19(22(26)27)20(23)21(25)24(18)16-9-5-7-14-6-3-4-8-15(14)16/h3-11,17-20H,1,12H2,2H3,(H,26,27)/t17-,18+,19-,20+,23-/m1/s1
SMILES: C1[C@@H]([C@H](CN1CC2=CNC3=C2N=CN=C3N)O)CCC4=CC=CC=C4
InChI: InChI=1S/C19H23N5O/c20-19-18-17(22-12-23-19)15(8-21-18)10-24-9-14(16(25)11-24)7-6-13-4-2-1-3-5-13/h1-5,8,12,14,16,21,25H,6-7,9-11H2,(H2,20,22,23)/t14-,16-/m0/s1
SMILES: C1C[C@@H]([C@@H]([C@H]([C@H]1N2C=NC3=C(N=CN=C32)N)O)O)O
InChI: InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)5-1-2-6(17)9(19)8(5)18/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9-/m0/s1
SMILES: CC1(OC[C@@H]2[C@H](O1)[C@H]3[C@H](O3)CN2C(=O)OC(C)(C)C)C
InChI: InChI=1S/C14H23NO5/c1-13(2,3)20-12(16)15-6-9-11(18-9)10-8(15)7-17-14(4,5)19-10/h8-11H,6-7H2,1-5H3/t8-,9-,10+,11-/m1/s1
SMILES: C[C@@]1([C@H]([C@H]2[C@@H](C3=C1CCCC3)OC(O2)(C)C)CC#N)COS(=O)(=O)C
InChI: InChI=1S/C18H27NO5S/c1-17(2)23-15-12-7-5-6-8-13(12)18(3,11-22-25(4,20)21)14(9-10-19)16(15)24-17/h14-16H,5-9,11H2,1-4H3/t14-,15+,16-,18+/m0/s1
SMILES: CO[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)CNC(=O)NCCNCCN)O)O)NC(=O)NCCNCCN)O
InChI: InChI=1S/C22H46N8O10/c1-37-20-17(34)18(13(11-31)39-20)40-19-14(30-22(36)28-9-7-26-5-3-24)16(33)15(32)12(38-19)10-29-21(35)27-8-6-25-4-2-23/h12-20,25-26,31-34H,2-11,23-24H2,1H3,(H2,27,29,35)(H2,28,30,36)/t12-,13+,14+,15+,16+,17+,18+,19+,20+/m0/s1
SMILES: CCS[C@@]12[C@@H](CC3(C[C@@H]1O)OCCO3)C(=O)C4=C(C5=CC=CC=C5C(=C4C2=O)OC)OC
InChI: InChI=1S/C24H26O7S/c1-4-32-24-15(11-23(12-16(24)25)30-9-10-31-23)19(26)17-18(22(24)27)21(29-3)14-8-6-5-7-13(14)20(17)28-2/h5-8,15-16,25H,4,9-12H2,1-3H3/t15-,16-,24-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H]([C@H](NC1=O)CO)CC(=O)OC(C)(C)C
InChI: InChI=1S/C14H23NO6/c1-5-20-13(19)11-8(9(7-16)15-12(11)18)6-10(17)21-14(2,3)4/h8-9,11,16H,5-7H2,1-4H3,(H,15,18)/t8-,9-,11+/m1/s1
SMILES: CN(C)[C@@H]1CC2=CC(=C(C=C2[C@H]1C3=CC=CC=C3)F)O.Br
InChI: InChI=1S/C17H18FNO.BrH/c1-19(2)15-8-12-9-16(20)14(18)10-13(12)17(15)11-6-4-3-5-7-11;/h3-7,9-10,15,17,20H,8H2,1-2H3;1H/t15-,17-;/m1./s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H20O9/c1-6-11(20-7(2)15)12(21-8(3)16)13(22-9(4)17)14(19-6)23-10(5)18/h6,11-14H,1-5H3/t6-,11+,12+,13-,14-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC2=CC3=C(C=CC(=C3)OC)C=C2
InChI: InChI=1S/C21H26N2O4/c1-14-5-3-4-6-19(14)22-21(25)23-20(24)13-27-18-10-8-15-7-9-17(26-2)11-16(15)12-18/h7-12,14,19H,3-6,13H2,1-2H3,(H2,22,23,24,25)/t14-,19-/m1/s1
SMILES: C1=CC=C2[C@H]3[C@H]4C=CC=C[C@@H]4[C@@H](C2=C1)[C@@H]5[C@@H]3C(=O)N(C5=O)CC6=CC=CO6
InChI: InChI=1S/C23H19NO3/c25-22-20-18-14-7-1-2-8-15(14)19(17-10-4-3-9-16(17)18)21(20)23(26)24(22)12-13-6-5-11-27-13/h1-11,14-15,18-21H,12H2/t14-,15-,18-,19+,20+,21+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)NC5=C6C(=NC=N5)N(C=N6)[C@H]7C[C@@H]([C@H](O7)CO)O)CO)O
InChI: InChI=1S/C27H29N9O7/c37-8-17-15(39)6-19(42-17)35-12-30-21-23(28-11-29-24(21)35)32-27-33-25-22(26(34-27)41-10-14-4-2-1-3-5-14)31-13-36(25)20-7-16(40)18(9-38)43-20/h1-5,11-13,15-20,37-40H,6-10H2,(H,28,29,32,33,34)/t15-,16-,17+,18+,19+,20+/m0/s1
SMILES: CN1C=NN2C1=NC3=C(C2=O)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)OC
InChI: InChI=1S/C13H16N6O5/c1-17-5-15-19-11(22)7-10(16-13(17)19)18(4-14-7)12-9(23-2)8(21)6(3-20)24-12/h4-6,8-9,12,20-21H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)OCC(=O)NCCC3=CC=CC=C3
InChI: InChI=1S/C19H25NO3/c21-18(20-9-8-14-4-2-1-3-5-14)13-23-19(22)12-17-11-15-6-7-16(17)10-15/h1-5,15-17H,6-13H2,(H,20,21)/t15-,16+,17-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@H]1OC(=O)C)OC[C@H]([C@H](CO)O)O)COC(=O)C)OC(=O)C
InChI: InChI=1S/C32H56O13/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(39)45-30-29(42-23(3)35)27(21-40-22(2)34)44-32(31(30)43-24(4)36)41-20-26(38)25(37)19-33/h25-27,29-33,37-38H,5-21H2,1-4H3/t25-,26+,27+,29+,30-,31-,32+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@@H]([C@@H]([C@H]2O[Si](C)(C)C(C)(C)C)Br)OC(=O)OC
InChI: InChI=1S/C21H32BrNO6SSi/c1-14-8-10-15(11-9-14)30(25,26)23-16-12-13-17(28-20(24)27-5)18(22)19(16)29-31(6,7)21(2,3)4/h8-13,16-19,23H,1-7H3/t16-,17+,18+,19+/m1/s1
SMILES: CC(=C)COC1=C(C=C(C=C1)[C@@H]2[C@H]3CN(CC=C3[C@H](C(=N)C2(C#N)C#N)C#N)C)OC
InChI: InChI=1S/C24H25N5O2/c1-15(2)12-31-20-6-5-16(9-21(20)30-4)22-19-11-29(3)8-7-17(19)18(10-25)23(28)24(22,13-26)14-27/h5-7,9,18-19,22,28H,1,8,11-12H2,2-4H3/t18-,19+,22-/m1/s1
SMILES: C[C@H]1[C@H](N[C@@H]([C@@H](C1=O)C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI: InChI=1S/C19H19F2NO/c1-11-17(13-3-7-15(20)8-4-13)22-18(12(2)19(11)23)14-5-9-16(21)10-6-14/h3-12,17-18,22H,1-2H3/t11-,12-,17-,18-/m0/s1
SMILES: CC(=CC[C@@]12C[C@@H](N([C@@H]1N(C3=CC=CC=C23)CC=C(C)C)C(=O)C)O)C
InChI: InChI=1S/C22H30N2O2/c1-15(2)10-12-22-14-20(26)24(17(5)25)21(22)23(13-11-16(3)4)19-9-7-6-8-18(19)22/h6-11,20-21,26H,12-14H2,1-5H3/t20-,21-,22-/m0/s1
SMILES: C1CCC(CC1)N2C(=O)[C@@H]3CC[C@@H]\4[C@@H]([C@@H]3C2=O)[C@@H]([C@@H](C/C4=N\NC(=O)OCC5=CC=CC=C5)O)O
InChI: InChI=1S/C26H33N3O6/c30-20-13-19(27-28-26(34)35-14-15-7-3-1-4-8-15)17-11-12-18-22(21(17)23(20)31)25(33)29(24(18)32)16-9-5-2-6-10-16/h1,3-4,7-8,16-18,20-23,30-31H,2,5-6,9-14H2,(H,28,34)/b27-19+/t17-,18+,20+,21-,22+,23+/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)C4=CN=CC=C4)CN5CCC(CC5)(C6=CC=C(C=C6)Cl)O
InChI: InChI=1S/C37H40ClN3O5/c1-25-33(23-41-19-16-37(44,17-20-41)31-12-14-32(38)15-13-31)45-36(46-34(25)28-8-6-27(24-42)7-9-28)29-10-4-26(5-11-29)21-40-35(43)30-3-2-18-39-22-30/h2-15,18,22,25,33-34,36,42,44H,16-17,19-21,23-24H2,1H3,(H,40,43)/t25-,33+,34+,36+/m0/s1
SMILES: C[C@@H]([C@@H]1[C@H](N=C(O1)C(Cl)(Cl)Cl)CC(=O)OC)O
InChI: InChI=1S/C9H12Cl3NO4/c1-4(14)7-5(3-6(15)16-2)13-8(17-7)9(10,11)12/h4-5,7,14H,3H2,1-2H3/t4-,5+,7+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C/C2=C(N(N=C2C)C)C
InChI: InChI=1S/C18H27N3O3/c1-12-7-5-6-8-16(12)19-17(22)11-24-18(23)10-9-15-13(2)20-21(4)14(15)3/h9-10,12,16H,5-8,11H2,1-4H3,(H,19,22)/b10-9+/t12-,16+/m0/s1
SMILES: CCC1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O
InChI: InChI=1S/C26H29NO8/c1-3-26(33)9-14-18(16(10-26)35-17-8-15(27)21(28)11(2)34-17)25(32)20-19(24(14)31)22(29)12-6-4-5-7-13(12)23(20)30/h4-7,11,15-17,21,28,31-33H,3,8-10,27H2,1-2H3/t11-,15-,16?,17-,21+,26?/m0/s1
SMILES: CCOC(=O)CCCC1=CC[C@@H]2[C@@](O1)(C[C@@]3([C@@H](O2)CC[C@H]([C@@H](O3)COCC4=CC=C(C=C4)OC)OCC5=CC=C(C=C5)OC)C)C
InChI: InChI=1S/C37H50O9/c1-6-42-35(38)9-7-8-30-18-20-33-36(2,45-30)25-37(3)34(44-33)21-19-31(43-23-27-12-16-29(40-5)17-13-27)32(46-37)24-41-22-26-10-14-28(39-4)15-11-26/h10-18,31-34H,6-9,19-25H2,1-5H3/t31-,32+,33-,34+,36+,37-/m1/s1
SMILES: C1C[C@H]2[C@@H]([C@H]([C@@H]1C2O)CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C33H34OP2/c34-33-29-21-22-30(33)32(24-36(27-17-9-3-10-18-27)28-19-11-4-12-20-28)31(29)23-35(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-20,29-34H,21-24H2/t29-,30+,31-,32-,33?/m0/s1
SMILES: COC1=C2C3=C(C[C@@H]4C5=CC=C([C@@H]([C@@]53CCN4CC6CCC6)O2)OC)C=C1
InChI: InChI=1S/C23H27NO3/c1-25-18-8-6-15-12-17-16-7-9-19(26-2)22-23(16,20(15)21(18)27-22)10-11-24(17)13-14-4-3-5-14/h6-9,14,17,22H,3-5,10-13H2,1-2H3/t17-,22+,23+/m1/s1
SMILES: CC(=O)O[C@H]1[C@H](N(C(=O)N[C@@H]1[C@H](CC2=CC=CC=C2)Br)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C28H29BrN2O3/c1-20(32)34-27-25(18-22-13-7-3-8-14-22)31(19-23-15-9-4-10-16-23)28(33)30-26(27)24(29)17-21-11-5-2-6-12-21/h2-16,24-27H,17-19H2,1H3,(H,30,33)/t24-,25+,26+,27-/m0/s1
SMILES: C[C@@H]1[C@@H]2CN3CC[C@@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13+,14+,18+,21+/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C(=CC5=O)C)C(=O)N(C4=O)C6=CC=C(C=C6)N7CCOCC7
InChI: InChI=1S/C35H34N2O6/c1-18-14-21(15-19(2)32(18)39)29-24-8-9-25-30(26(24)17-27-28(38)16-20(3)33(40)31(27)29)35(42)37(34(25)41)23-6-4-22(5-7-23)36-10-12-43-13-11-36/h4-8,14-16,25-26,29-30,39H,9-13,17H2,1-3H3/t25-,26+,29-,30-/m0/s1