EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)N4CCCCC4)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCCCC6)C
InChI: InChI=1S/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1
SMILES: C1[C@H]([C@H]2[C@@H]([C@H]1O)ON=C2C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C19H18N2O3/c22-15-11-14(20-19(23)13-9-5-2-6-10-13)16-17(21-24-18(15)16)12-7-3-1-4-8-12/h1-10,14-16,18,22H,11H2,(H,20,23)/t14-,15+,16-,18-/m1/s1
SMILES: C1[C@@H]2[C@H](C(S1)CCCCC(=O)NCCCCCC(=O)NCCNC(=O)C3=NN4C(=N3)CN=C(C5=C4C=CC(=C5)Cl)C6=CC=CC=C6Cl)NC(=O)N2
InChI: InChI=1S/C35H41Cl2N9O4S/c36-21-13-14-26-23(18-21)31(22-8-3-4-9-24(22)37)41-19-28-43-33(45-46(26)28)34(49)40-17-16-39-30(48)11-2-1-7-15-38-29(47)12-6-5-10-27-32-25(20-51-27)42-35(50)44-32/h3-4,8-9,13-14,18,25,27,32H,1-2,5-7,10-12,15-17,19-20H2,(H,38,47)(H,39,48)(H,40,49)(H2,42,44,50)/t25-,27?,32-/m1/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6)NC(=O)COC7=CC=C(C=C7)F
InChI: InChI=1S/C44H48FN5O9S/c1-6-27-23-44(27,42(54)49-60(55,56)32-17-18-32)48-40(52)36-21-31(59-37-22-34(26-10-8-7-9-11-26)46-35-20-30(57-5)16-19-33(35)37)24-50(36)41(53)39(43(2,3)4)47-38(51)25-58-29-14-12-28(45)13-15-29/h6-16,19-20,22,27,31-32,36,39H,1,17-18,21,23-25H2,2-5H3,(H,47,51)(H,48,52)(H,49,54)/t27-,31-,36+,39-,44-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)O[C@@H](C)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H25NO4/c1-15-11-12-20-21(13-15)24(28)25(23(20)27)18-9-6-10-19(14-18)29-16(2)22(26)17-7-4-3-5-8-17/h3-10,14-16,20-21H,11-13H2,1-2H3/t15-,16+,20-,21-/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@H](O1)CC3=CC(=C(C=C23)OC)OC)CN(C)C
InChI: InChI=1S/C18H27NO3/c1-18-7-6-12(11-19(2)3)15(22-18)8-13-9-16(20-4)17(21-5)10-14(13)18/h9-10,12,15H,6-8,11H2,1-5H3/t12-,15-,18-/m0/s1
SMILES: C1C=C[C@H]2[C@H]1CN3[C@H]([C@@H]4CC=C[C@@H]4C5=C3C2=CC6=CC=CC=C65)C(=O)O
InChI: InChI=1S/C23H21NO2/c25-23(26)22-18-10-4-9-17(18)20-16-7-2-1-5-13(16)11-19-15-8-3-6-14(15)12-24(22)21(19)20/h1-5,7-9,11,14-15,17-18,22H,6,10,12H2,(H,25,26)/t14-,15+,17+,18-,22-/m1/s1
SMILES: C1CCCCCC2(CCCCC1)[C@@]3([C@]2(C4([NH+]=C3N)OCCO4)C#N)C#N
InChI: InChI=1S/C20H28N4O2/c21-14-18-16(23)24-20(25-12-13-26-20)19(18,15-22)17(18)10-8-6-4-2-1-3-5-7-9-11-17/h1-13H2,(H2,23,24)/p+1/t18-,19+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OC3=CC=CC=C3Cl
InChI: InChI=1S/C17H18ClNO4/c18-13-7-3-4-8-14(13)23-15(20)9-10-19-16(21)11-5-1-2-6-12(11)17(19)22/h3-4,7-8,11-12H,1-2,5-6,9-10H2/t11-,12-/m1/s1
SMILES: C[C@H]1CC[C@]2([C@@H]3[C@@]1(CC4=C(C(=O)C=C(C4=O)OC)O[C@H]3CCC2=C)C)C
InChI: InChI=1S/C22H28O4/c1-12-6-7-16-20-21(12,3)9-8-13(2)22(20,4)11-14-18(24)17(25-5)10-15(23)19(14)26-16/h10,13,16,20H,1,6-9,11H2,2-5H3/t13-,16-,20+,21+,22+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)N5C(=O)C6=CC=CC=C6C5=O)OCC7=CC=CC=C7
InChI: InChI=1S/C49H52N2O15/c1-29(52)50-40-44(60-25-34-18-10-6-11-19-34)42(38(27-58-24-33-16-8-5-9-17-33)64-48(40)61-26-35-20-12-7-13-21-35)66-49-41(51-46(56)36-22-14-15-23-37(36)47(51)57)45(63-32(4)55)43(62-31(3)54)39(65-49)28-59-30(2)53/h5-23,38-45,48-49H,24-28H2,1-4H3,(H,50,52)/t38-,39-,40-,41-,42-,43-,44-,45-,48+,49+/m1/s1
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)NC(CC(=O)O)C(=O)O)CCC(=O)O)C)C)C=C)C.[Au+3]
InChI: InChI=1S/C38H41N5O9.Au/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24;/h7,12-14,18,22,30,39-40H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);/q;+3/t18-,22-,30?;/m0./s1
SMILES: C1[C@H]2[C@H](C[C@@H]([C@@H]1Br)Br)C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)Cl
InChI: InChI=1S/C14H11Br2Cl2NO2/c15-8-4-6-7(5-9(8)16)14(21)19(13(6)20)11-3-1-2-10(17)12(11)18/h1-3,6-9H,4-5H2/t6-,7-,8-,9+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=NC4=C3C=CN=C4SC)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C28H27N3O5S/c1-17-4-8-19(9-5-17)27(32)34-15-23-22(36-28(33)20-10-6-18(2)7-11-20)14-24(35-23)31-16-30-25-21(31)12-13-29-26(25)37-3/h4-13,16,22-24H,14-15H2,1-3H3/t22-,23+,24+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C3=C4[C@@H]([C@H](OC4=CC(=C3)OC)C5=CC=C(C=C5)OC)C6=C2C(=CC(=C6)OC)OC)C7=C(C=CC(=C7)C=O)OC
InChI: InChI=1S/C41H38O8/c1-43-26-12-8-24(9-13-26)36-37(30-17-23(22-42)7-16-33(30)47-5)31-18-29(46-4)21-35-39(31)40(32-19-28(45-3)20-34(48-6)38(32)36)41(49-35)25-10-14-27(44-2)15-11-25/h7-22,36-37,40-41H,1-6H3/t36-,37+,40+,41-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)CN(C)C[C@H](C8=CC(=CC=C8)O)O
InChI: InChI=1S/C46H55N3O6/c1-29-42(27-49(2)26-41(52)39-7-4-8-40(51)21-39)54-44(55-43(29)36-11-9-30(28-50)10-12-36)37-15-13-35(14-16-37)38-6-3-5-31(20-38)25-47-45(53)48-46-22-32-17-33(23-46)19-34(18-32)24-46/h3-16,20-21,29,32-34,41-44,50-52H,17-19,22-28H2,1-2H3,(H2,47,48,53)/t29-,32?,33?,34?,41-,42+,43+,44+,46?/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@H](C(=O)N2CC#C)OC3=CC=CC=C3)C
InChI: InChI=1S/C17H19NO4/c1-4-10-18-14(13-11-20-17(2,3)22-13)15(16(18)19)21-12-8-6-5-7-9-12/h1,5-9,13-15H,10-11H2,2-3H3/t13-,14+,15-/m1/s1
SMILES: C[C@@]12[C@@H](CC[C@@]1([C@@H]3CCCC[C@@H]3[C@@H]2O)O)C(C)(C)O
InChI: InChI=1S/C16H28O3/c1-14(2,18)12-8-9-16(19)11-7-5-4-6-10(11)13(17)15(12,16)3/h10-13,17-19H,4-9H2,1-3H3/t10-,11+,12-,13-,15-,16-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=N\N3C(=NNC3=S)COC4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H17ClN4O2S/c1-11-8-15(11)16-7-6-14(25-16)9-20-23-17(21-22-18(23)26)10-24-13-4-2-12(19)3-5-13/h2-7,9,11,15H,8,10H2,1H3,(H,22,26)/b20-9-/t11-,15+/m1/s1
SMILES: CCC1=CC2=C(S1)N=CN=C2SCC(=O)N3CC[C@H]4CCCC[C@H]4C3
InChI: InChI=1S/C19H25N3OS2/c1-2-15-9-16-18(20-12-21-19(16)25-15)24-11-17(23)22-8-7-13-5-3-4-6-14(13)10-22/h9,12-14H,2-8,10-11H2,1H3/t13-,14+/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C
InChI: InChI=1S/C30H50O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22-,23+,24+,25-,27-,28-,29+,30+/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O1)OCC3=CC=CC=C3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCCCCCCN=[N+]=[N-])COCC7=CC=CC=C7)COCC8=CC=CC=C8)C
InChI: InChI=1S/C56H67N3O11/c1-56(2)69-49-47(40-61-35-42-24-12-6-13-25-42)67-55(53(51(49)70-56)65-38-45-30-18-9-19-31-45)68-48-46(39-60-34-41-22-10-5-11-23-41)66-54(62-33-21-4-3-20-32-58-59-57)52(64-37-44-28-16-8-17-29-44)50(48)63-36-43-26-14-7-15-27-43/h5-19,22-31,46-55H,3-4,20-21,32-40H2,1-2H3/t46-,47-,48-,49+,50+,51+,52-,53-,54-,55+/m1/s1
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)[C@@H]3[C@H](O3)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C18H11ClO4/c19-12-6-3-5-11(8-12)16-17(23-16)15(20)13-9-10-4-1-2-7-14(10)22-18(13)21/h1-9,16-17H/t16-,17-/m1/s1
SMILES: CCOC(=O)[C@@H]1CCC[NH+](C1)C[C@@H]2[C@H]3C=C4C(=CCC[C@@]4(C[C@H]3OC2=O)C)C
InChI: InChI=1S/C23H33NO4/c1-4-27-21(25)16-8-6-10-24(13-16)14-18-17-11-19-15(2)7-5-9-23(19,3)12-20(17)28-22(18)26/h7,11,16-18,20H,4-6,8-10,12-14H2,1-3H3/p+1/t16-,17-,18-,20-,23-/m1/s1
SMILES: CCCCC1=CC2=C(CC(C2)(C(=O)OC)C(=O)OC)C(=C1)[C@@H]3C=C[C@@H]([C@H](O3)COC(=O)C)OC(=O)C
InChI: InChI=1S/C27H34O9/c1-6-7-8-18-11-19-13-27(25(30)32-4,26(31)33-5)14-21(19)20(12-18)22-9-10-23(35-17(3)29)24(36-22)15-34-16(2)28/h9-12,22-24H,6-8,13-15H2,1-5H3/t22-,23-,24+/m0/s1
SMILES: CC(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=C(C=C4)Br
InChI: InChI=1S/C22H16BrN3O/c1-14(27)21-20(16-6-9-17(23)10-7-16)22(12-24,13-25)19-11-8-15-4-2-3-5-18(15)26(19)21/h2-11,19-21H,1H3/t19-,20-,21-/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@H]2CC(=O)[C@H]3[C@@H](N(C4=CC=CC=C4NC3=C2)C(=O)CCC(=O)[O-])C5=CC=C(C=C5)C(F)(F)F
InChI: InChI=1S/C34H33F3N2O4/c1-33(2,3)23-12-8-20(9-13-23)22-18-26-31(28(40)19-22)32(21-10-14-24(15-11-21)34(35,36)37)39(29(41)16-17-30(42)43)27-7-5-4-6-25(27)38-26/h4-15,18,22,31-32,38H,16-17,19H2,1-3H3,(H,42,43)/p-1/t22-,31+,32+/m1/s1
SMILES: CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C19H28N2O3/c1-12-17(19(23)24-3)13(2)20-18(12)16(22)11-21-9-8-14-6-4-5-7-15(14)10-21/h14-15,20H,4-11H2,1-3H3/p+1/t14-,15+/m0/s1
SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H]2[C@H](O[C@@H]1[C@@H](CO)O)OC(O2)(C)C
InChI: InChI=1S/C17H30O7/c1-4-5-6-7-8-9-12(20)21-14-13(11(19)10-18)22-16-15(14)23-17(2,3)24-16/h11,13-16,18-19H,4-10H2,1-3H3/t11-,13-,14+,15-,16-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=O)NC3=CC=CC(=C3)C#N)N4C(=NN=N4)C5=CC=C(C=C5)C6=CC=CC=C6
InChI: InChI=1S/C27H22N6O4/c28-14-17-5-4-8-21(13-17)29-27(34)37-23-16-36-24-22(15-35-25(23)24)33-26(30-31-32-33)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-13,22-25H,15-16H2,(H,29,34)/t22-,23+,24+,25+/m0/s1
SMILES: CC[C@@H]1[C@H](O1)[C@]2([C@@H](N(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4)Br
InChI: InChI=1S/C20H20BrNO2/c1-2-16-18(24-16)20(21)17(15-11-7-4-8-12-15)22(19(20)23)13-14-9-5-3-6-10-14/h3-12,16-18H,2,13H2,1H3/t16-,17+,18+,20+/m1/s1
SMILES: COC(=O)[C@@]1([C@H](OCCS1)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F
InChI: InChI=1S/C13H12F3NO5S/c1-21-11(18)12(13(14,15)16)10(22-6-7-23-12)8-2-4-9(5-3-8)17(19)20/h2-5,10H,6-7H2,1H3/t10-,12+/m1/s1
SMILES: CCOC1=CC2=C(C(=C1)[N+](=O)[O-])N[C@H]([C@@H]3[C@@H]2C=CC3)C(C)C
InChI: InChI=1S/C17H22N2O3/c1-4-22-11-8-14-12-6-5-7-13(12)16(10(2)3)18-17(14)15(9-11)19(20)21/h5-6,8-10,12-13,16,18H,4,7H2,1-3H3/t12-,13-,16-/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@H]3CC=C[C@H]3C4=C(C=CC(=C4N2)OC)Cl)[N+](=O)[O-]
InChI: InChI=1S/C20H19ClN2O4/c1-26-16-8-6-11(10-15(16)23(24)25)19-13-5-3-4-12(13)18-14(21)7-9-17(27-2)20(18)22-19/h3-4,6-10,12-13,19,22H,5H2,1-2H3/t12-,13+,19+/m1/s1
SMILES: C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)N2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C19H27N3O4/c1-13(21-10-9-14-5-3-4-6-15(14)12-21)19(23)20-17-8-7-16(22(24)25)11-18(17)26-2/h7-8,11,13-15H,3-6,9-10,12H2,1-2H3,(H,20,23)/t13-,14-,15+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC(=O)[C@]3(C)CCC(=O)O)C
InChI: InChI=1S/C26H44O3/c1-17(2)7-6-8-18(3)20-10-11-21-19-9-12-23(27)26(5,16-14-24(28)29)22(19)13-15-25(20,21)4/h17-22H,6-16H2,1-5H3,(H,28,29)/t18-,19-,20-,21+,22-,25-,26-/m1/s1
SMILES: C1CCC2(CC1)OC[C@H](O2)[C@H]3C([C@@H]4[C@@H](O3)OC5(O4)CCCCC5)(O)O
InChI: InChI=1S/C18H28O7/c19-18(20)13(12-11-21-16(23-12)7-3-1-4-8-16)22-15-14(18)24-17(25-15)9-5-2-6-10-17/h12-15,19-20H,1-11H2/t12-,13-,14-,15-/m0/s1
SMILES: C/C=C(/C(=O)C)\S[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2C3=CC=CC=C3C4=CC=CC=C24)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C45H44O6S/c1-3-40(31(2)46)52-44-43(49-29-34-21-11-6-12-22-34)42(48-28-33-19-9-5-10-20-33)39(30-47-27-32-17-7-4-8-18-32)50-45(44)51-41-37-25-15-13-23-35(37)36-24-14-16-26-38(36)41/h3-26,39,41-45H,27-30H2,1-2H3/b40-3-/t39-,42-,43+,44-,45+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC(=C(C=C8)C(=O)O)O
InChI: InChI=1S/C43H35ClFN3O10/c1-57-34-17-21(18-35(58-2)37(34)50)3-16-31-27-14-15-29-36(40(53)47(38(29)51)26-12-13-28(41(54)55)33(49)19-26)30(27)20-32-39(52)48(46-25-10-8-24(45)9-11-25)42(56)43(31,32)22-4-6-23(44)7-5-22/h3-14,16-19,29-32,36,46,49-50H,15,20H2,1-2H3,(H,54,55)/t29-,30+,31-,32-,36-,43-/m0/s1
SMILES: C[C@H]1CN([C@H]([C@@H](O1)C)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=CC(=C3)F)C
InChI: InChI=1S/C21H25FN2O6S/c1-13-4-5-17(22)10-16(13)12-29-18-6-8-19(9-7-18)31(27,28)24-11-14(2)30-15(3)20(24)21(25)23-26/h4-10,14-15,20,26H,11-12H2,1-3H3,(H,23,25)/t14-,15-,20+/m0/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C31H52O11/c1-27(2,3)22(32)37-16-17-18(39-23(33)28(4,5)6)19(40-24(34)29(7,8)9)20(41-25(35)30(10,11)12)21(38-17)42-26(36)31(13,14)15/h17-21H,16H2,1-15H3/t17-,18+,19+,20-,21+/m1/s1
SMILES: CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C23H23BrN2O3/c1-13-10-16(8-9-20(13)24)26-14(2)11-19(15(26)3)21(27)12-25-22(28)17-6-4-5-7-18(17)23(25)29/h4-5,8-11,17-18H,6-7,12H2,1-3H3/t17-,18+
SMILES: COC1=C(C(=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)OC)OC
InChI: InChI=1S/C23H31N3O5/c1-29-19-9-8-16(20(30-2)21(19)31-3)14-24-10-12-25(13-11-24)15-26-22(27)17-6-4-5-7-18(17)23(26)28/h4-5,8-9,17-18H,6-7,10-15H2,1-3H3/p+2/t17-,18-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)OC(C)C)N(C1=O)C(=O)C5CC5
InChI: InChI=1S/C25H33N3O6S/c1-15(2)34-18-8-10-19(11-9-18)35(32,33)27-13-4-5-21(27)25(31)26-14-12-20-22(26)16(3)23(29)28(20)24(30)17-6-7-17/h8-11,15-17,20-22H,4-7,12-14H2,1-3H3/t16-,20-,21-,22+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC(=O)[C@]3(C)CCC(=O)[O-])C
InChI: InChI=1S/C26H44O3/c1-17(2)7-6-8-18(3)20-10-11-21-19-9-12-23(27)26(5,16-14-24(28)29)22(19)13-15-25(20,21)4/h17-22H,6-16H2,1-5H3,(H,28,29)/p-1/t18-,19-,20+,21+,22-,25-,26-/m1/s1
SMILES: CC1=CC2=C(CCCN2CC(C)ON=C(C)CCC(=O)OC[C@@H]3[C@H](C=C[C@H](O3)C4=CC=CC=C4)OC5=CC=C(C=C5)OC)N=C1C
InChI: InChI=1S/C37H45N3O6/c1-25-22-33-32(38-28(25)4)12-9-21-40(33)23-27(3)46-39-26(2)13-20-37(41)43-24-36-35(44-31-16-14-30(42-5)15-17-31)19-18-34(45-36)29-10-7-6-8-11-29/h6-8,10-11,14-19,22,27,34-36H,9,12-13,20-21,23-24H2,1-5H3/t27?,34-,35-,36+/m0/s1
SMILES: C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H]2CCC[C@@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C
InChI: InChI=1S/C40H64N6O11/c1-21(2)30(37(53)46-31(22(3)4)38(54)56-10)45-35(51)27-18-14-17-26(27)32(48)28(19-25-15-12-11-13-16-25)43-34(50)24(6)41-33(49)23(5)42-36(52)29(20-47)44-39(55)57-40(7,8)9/h11-13,15-16,21-24,26-32,47-48H,14,17-20H2,1-10H3,(H,41,49)(H,42,52)(H,43,50)(H,44,55)(H,45,51)(H,46,53)/t23-,24-,26-,27-,28-,29-,30-,31-,32-/m0/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCC=C)CCCCO)CCCCO)OCC=C)N(CC5=CC=CC6=CC=CC=C65)C(=O)OCCOCC7=CC=CC=C7
InChI: InChI=1S/C53H64N2O9/c1-4-29-60-42-25-26-48-46(34-42)50-44(24-13-15-28-57)40(20-12-14-27-56)33-45-47(54-63-6-3)35-49(53(64-48,51(45)50)62-30-5-2)55(36-41-22-16-21-39-19-10-11-23-43(39)41)52(58)61-32-31-59-37-38-17-8-7-9-18-38/h4-5,7-11,16-19,21-23,25-26,33-34,40,44,49-51,56-57H,1-2,6,12-15,20,24,27-32,35-37H2,3H3/t40-,44+,49-,50+,51+,53+/m0/s1
SMILES: CCCCCCCC/C=C/[C@@H]([C@H](COC(=O)C1=CC=CC=C1)N=C(C2=CC=CC=C2)C3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C47H57NO12/c1-6-7-8-9-10-11-12-22-29-40(59-47-45(58-35(5)52)44(57-34(4)51)43(56-33(3)50)41(60-47)31-54-32(2)49)39(30-55-46(53)38-27-20-15-21-28-38)48-42(36-23-16-13-17-24-36)37-25-18-14-19-26-37/h13-29,39-41,43-45,47H,6-12,30-31H2,1-5H3/b29-22+/t39-,40-,41+,43+,44-,45+,47+/m0/s1
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN)NC(=O)N2
InChI: InChI=1S/C42H80N6O13S/c43-13-17-53-19-21-55-23-25-57-27-29-59-31-33-61-34-32-60-30-28-58-26-24-56-22-20-54-18-16-46-40(51)11-4-2-8-14-44-38(49)10-3-1-7-15-45-39(50)12-6-5-9-37-41-36(35-62-37)47-42(52)48-41/h36-37,41H,1-35,43H2,(H,44,49)(H,45,50)(H,46,51)(H2,47,48,52)/t36-,37-,41-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)OC(=O)C)NC(=O)C)OC(=O)C
InChI: InChI=1S/C13H21NO7/c1-6-11(20-8(3)16)10(14-7(2)15)12(21-9(4)17)13(18-5)19-6/h6,10-13H,1-5H3,(H,14,15)/t6-,10+,11+,12-,13+/m0/s1
SMILES: CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)[C@@H](CCCCCCCCCCCCCC/C=C\CCCCCC)O)O)O
InChI: InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h13,15,39-46,48,50-56H,3-12,14,16-38H2,1-2H3,(H,49,57)/b15-13-/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1
SMILES: C1C[C@@H]2[C@H](C1)[C@@H]\3C[C@H]2C/C3=N\OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C17H19NO2/c19-17(11-5-2-1-3-6-11)20-18-16-10-12-9-15(16)14-8-4-7-13(12)14/h1-3,5-6,12-15H,4,7-10H2/b18-16+/t12-,13-,14-,15-/m0/s1
SMILES: CC1([C@@H]([C@@H]1C(=O)CC2=CC=CN2)/C=C(/C(F)(F)F)\Cl)C
InChI: InChI=1S/C14H15ClF3NO/c1-13(2)9(7-11(15)14(16,17)18)12(13)10(20)6-8-4-3-5-19-8/h3-5,7,9,12,19H,6H2,1-2H3/b11-7-/t9-,12-/m1/s1
SMILES: CC#C[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43CC5=CC=C(C=C5)C)C)O
InChI: InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24-,25-,27-,28+,29+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC)COC(=O)C5=CC=CC=C5)N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C40H47NO14/c1-24(42)47-22-30-33(51-25(2)43)35(52-26(3)44)32(41)39(53-30)55-34-31(23-50-38(45)29-18-12-7-13-19-29)54-40(46-4)37(49-21-28-16-10-6-11-17-28)36(34)48-20-27-14-8-5-9-15-27/h5-19,30-37,39-40H,20-23,41H2,1-4H3/t30-,31-,32-,33+,34+,35+,36+,37-,39+,40+/m1/s1
SMILES: CCO[C@H]1C2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC
InChI: InChI=1S/C23H24O8/c1-4-28-22-13-8-16-15(30-10-31-16)7-12(13)19(20-14(22)9-29-23(20)25)11-5-17(26-2)21(24)18(6-11)27-3/h5-8,14,19-20,22,24H,4,9-10H2,1-3H3/t14?,19-,20+,22-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H](C=CO1)OC(=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H28O6Si/c1-11(17)20-10-14-15(22-23(6,7)16(3,4)5)13(8-9-19-14)21-12(2)18/h8-9,13-15H,10H2,1-7H3/t13-,14-,15+/m1/s1
SMILES: C/C/1=C\CC[C@]2(O[C@@H]2CC[C@@]3(O[C@H]3COC(=O)/C(=C/CC[C@@]4(O[C@H]4CC[C@]5(O[C@@H]5COC1=O)C)C)/C)C)C
InChI: InChI=1S/C30H44O8/c1-19-9-7-13-27(3)21(35-27)11-16-30(6)24(38-30)18-34-26(32)20(2)10-8-14-28(4)22(36-28)12-15-29(5)23(37-29)17-33-25(19)31/h9-10,21-24H,7-8,11-18H2,1-6H3/b19-9+,20-10+/t21-,22+,23-,24+,27-,28+,29-,30+
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@]2([C@H]([C@@H](O1)NC(=O)NC(=O)C3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI: InChI=1S/C27H45N3O8SSi2/c1-25(2,3)40(7,8)35-16-20-27(19(28)17-39(33,34)38-27)21(37-41(9,10)26(4,5)6)23(36-20)30-24(32)29-22(31)18-14-12-11-13-15-18/h11-15,17,20-21,23H,16,28H2,1-10H3,(H2,29,30,31,32)/t20-,21+,23-,27-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(=O)C)F)OC(=O)C
InChI: InChI=1S/C22H30FNO14/c1-9(25)24-16-18(17(35-12(4)28)15(34-11(3)27)8-33-10(2)26)38-22(21(31)32-7,37-14(6)30)20(23)19(16)36-13(5)29/h15-20H,8H2,1-7H3,(H,24,25)/t15-,16+,17-,18-,19-,20+,22+/m1/s1
SMILES: CC(=O)O[C@H]1CCC[C@@]2([C@@H]1C[C@H](C2(OC)OC)C(=O)OC)C(=O)OC
InChI: InChI=1S/C17H26O8/c1-10(18)25-13-7-6-8-16(15(20)22-3)11(13)9-12(14(19)21-2)17(16,23-4)24-5/h11-13H,6-9H2,1-5H3/t11-,12+,13+,16-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCO[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)OC(=O)N)O)C(=O)O
InChI: InChI=1S/C43H80N3O18P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-58-31(40(53)54)28-59-65(56,57)64-42-35(51)36(63-43(45)55)37(38(62-42)39(44)52)61-41-32(46-29(2)48)34(50)33(49)30(27-47)60-41/h30-38,41-42,47,49-51H,3-28H2,1-2H3,(H2,44,52)(H2,45,55)(H,46,48)(H,53,54)(H,56,57)/t30-,31-,32-,33-,34-,35-,36-,37+,38+,41-,42-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C24H23NO5/c1-14-7-2-5-12-19(14)25-20(26)13-30-24(29)18-11-6-10-17-21(18)23(28)16-9-4-3-8-15(16)22(17)27/h3-4,6,8-11,14,19H,2,5,7,12-13H2,1H3,(H,25,26)/t14-,19+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C[C@@H]3C[C@H]([C@H]2NC(=O)OCC4=CC=CC=C4)C(=O)O3)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H35NO14/c1-14(31)37-13-22-24(39-15(2)32)25(40-16(3)33)26(41-17(4)34)28(44-22)43-21-11-19-10-20(27(35)42-19)23(21)30-29(36)38-12-18-8-6-5-7-9-18/h5-9,19-26,28H,10-13H2,1-4H3,(H,30,36)/t19-,20+,21-,22+,23+,24+,25-,26+,28+/m0/s1
SMILES: C1CCC(=C2[C@@H]3C=C[C@H]2[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=CC=C5C(F)(F)F)CC1
InChI: InChI=1S/C22H20F3NO2/c23-22(24,25)15-8-4-5-9-16(15)26-20(27)18-13-10-11-14(19(18)21(26)28)17(13)12-6-2-1-3-7-12/h4-5,8-11,13-14,18-19H,1-3,6-7H2/t13-,14+,18+,19-
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C25H21ClN2O4S/c26-17-8-4-15(5-9-17)24-21-3-1-2-20(21)22-14-19(12-13-23(22)27-24)33(31,32)28-18-10-6-16(7-11-18)25(29)30/h1-2,4-14,20-21,24,27-28H,3H2,(H,29,30)/t20-,21+,24+/m0/s1
SMILES: CCOC(=O)[C@@]1(CCC([C@]([C@@H]1CC(=O)C)(C)C#N)O)C#N
InChI: InChI=1S/C15H20N2O4/c1-4-21-13(20)15(9-17)6-5-12(19)14(3,8-16)11(15)7-10(2)18/h11-12,19H,4-7H2,1-3H3/t11-,12?,14+,15-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@@H]3[C@@H](CO[C@@H]([C@H]3O)CO)O)CO)O)O)CO)O)O
InChI: InChI=1S/C20H35NO15/c1-6(25)21-11-15(30)12(27)9(3-23)33-19(11)36-18-16(31)13(28)10(4-24)34-20(18)35-17-7(26)5-32-8(2-22)14(17)29/h7-20,22-24,26-31H,2-5H2,1H3,(H,21,25)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20-/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H23NO6/c1-26-14-8-6-13(7-9-14)17(22)12-27-18(23)10-11-21-19(24)15-4-2-3-5-16(15)20(21)25/h6-9,15-16H,2-5,10-12H2,1H3/t15-,16-/m0/s1
SMILES: CCCCCCCCCC[C@@H]1C[C@@]2(C(=O)O1)[C@]([C@H](C(=O)O2)O)(C(=O)O)O
InChI: InChI=1S/C18H28O8/c1-2-3-4-5-6-7-8-9-10-12-11-17(16(23)25-12)18(24,15(21)22)13(19)14(20)26-17/h12-13,19,24H,2-11H2,1H3,(H,21,22)/t12-,13+,17-,18+/m1/s1
SMILES: CCO[C@@]12CC([C@H]3C(=O)[C@@H]1[C@@]2(C34CC4)C(=O)OC)(C)C
InChI: InChI=1S/C16H22O4/c1-5-20-15-8-13(2,3)10-9(17)11(15)16(15,12(18)19-4)14(10)6-7-14/h10-11H,5-8H2,1-4H3/t10-,11+,15+,16+/m1/s1
SMILES: C[Si](C)(C)C[C@@H]1C[C@@H]2[C@H]1C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C16H20O2Si/c1-19(2,3)9-10-8-13-14(10)16(18)12-7-5-4-6-11(12)15(13)17/h4-7,10,13-14H,8-9H2,1-3H3/t10-,13+,14-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(C)C
InChI: InChI=1S/C19H27N5OS/c1-13(2)15-8-10-16(11-9-15)24-19(21-22-23-24)26-12-18(25)20-17-7-5-4-6-14(17)3/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,20,25)/t14-,17+/m0/s1
SMILES: CC[C@H](C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C29H50O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t19-,20+,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1
SMILES: C[C@@H]1CC[C@H](C[C@@]12OC(=O)C[C@](O2)(C)[C@H]3CCCO3)C(C)C
InChI: InChI=1S/C18H30O4/c1-12(2)14-8-7-13(3)18(10-14)21-16(19)11-17(4,22-18)15-6-5-9-20-15/h12-15H,5-11H2,1-4H3/t13-,14-,15-,17-,18+/m1/s1
SMILES: COC1=C(C=C(C=C1)C2=COC3=C4C(=C(C=C3C2=O)OC)O[C@@H]([C@H](O4)CO)C5=CC(=C(C(=C5)OC)O)OC)O
InChI: InChI=1S/C28H26O11/c1-33-18-6-5-13(7-17(18)30)16-12-37-26-15(23(16)31)10-21(36-4)27-28(26)38-22(11-29)25(39-27)14-8-19(34-2)24(32)20(9-14)35-3/h5-10,12,22,25,29-30,32H,11H2,1-4H3/t22-,25-/m1/s1
SMILES: CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)O)OC(=O)CC(C)C
InChI: InChI=1S/C28H40N2O10/c1-6-7-8-9-11-19-24(39-21(32)14-16(2)3)28(36)40-27(35)22(17(4)38-26(19)34)30-25(33)18-12-10-13-20(29-15-31)23(18)37-5/h10,12-13,15-17,19,22,24,28,36H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,33)/t17-,19-,22+,24-,28-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](OC(=O)[C@@H]3N2[C@H]([C@]4([C@H]3C(=O)O)C5=C(C=CC(=C5)C#CCNC(=O)N)NC4=O)C6=CC=C(C=C6)OCCO)C7=CC=CC=C7
InChI: InChI=1S/C39H34N4O8/c40-38(49)41-19-7-8-23-13-18-29-28(22-23)39(37(48)42-29)30(35(45)46)32-36(47)51-33(25-11-5-2-6-12-25)31(24-9-3-1-4-10-24)43(32)34(39)26-14-16-27(17-15-26)50-21-20-44/h1-6,9-18,22,30-34,44H,19-21H2,(H,42,48)(H,45,46)(H3,40,41,49)/t30-,31-,32-,33+,34+,39-/m1/s1
SMILES: CCC1=CC=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)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl
InChI: InChI=1S/C40H31Cl2F3N4O5/c1-2-20-7-13-24(14-8-20)48-35(51)27-16-15-25-28(32(27)37(48)53)18-29-36(52)49(47-34-30(42)17-22(19-46-34)40(43,44)45)38(54)39(29,21-9-11-23(41)12-10-21)33(25)26-5-3-4-6-31(26)50/h3-15,17,19,27-29,32-33,50H,2,16,18H2,1H3,(H,46,47)/t27-,28+,29-,32-,33+,39+/m0/s1
SMILES: C1C=C2[C@H](CN1C3=CC=CC=C3)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C4=CN=CC=C4
InChI: InChI=1S/C23H18N6/c24-11-19-18-8-10-29(17-6-2-1-3-7-17)13-20(18)21(16-5-4-9-28-12-16)23(14-25,15-26)22(19)27/h1-9,12,19-21,27H,10,13H2/t19?,20-,21-/m0/s1