EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C21H21N3O6/c1-12-9-17(23-30-12)22-18(25)11-29-21(28)13-5-4-6-14(10-13)24-19(26)15-7-2-3-8-16(15)20(24)27/h4-6,9-10,15-16H,2-3,7-8,11H2,1H3,(H,22,23,25)/t15-,16-/m1/s1
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO
InChI: InChI=1S/C30H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(34)42-30(28(39)26(37)24(35)21(18-31)41-30)29(20-33)27(38)25(36)22(19-32)40-29/h6-7,9-10,21-22,24-28,31-33,35-39H,2-5,8,11-20H2,1H3/b7-6-,10-9-/t21-,22-,24-,25-,26+,27+,28-,29+,30+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC=CC=C2Cl
InChI: InChI=1S/C19H24ClNO3/c1-13-7-3-6-10-17(13)21-19(23)14(2)24-18(22)12-11-15-8-4-5-9-16(15)20/h4-5,8-9,11-14,17H,3,6-7,10H2,1-2H3,(H,21,23)/b12-11+/t13-,14-,17+/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17-,18+,19+,22+,23+,24-/m1/s1
SMILES: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)O
InChI: InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C21H28N4O5/c1-14-6-4-5-11-21(14)19(28)25(20(29)23-21)12-18(27)30-13-17(26)22-15-7-9-16(10-8-15)24(2)3/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,26)(H,23,29)/t14-,21+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CNC(=O)NO)O)O)O
InChI: InChI=1S/C8H16N2O7/c1-16-7-6(13)5(12)4(11)3(17-7)2-9-8(14)10-15/h3-7,11-13,15H,2H2,1H3,(H2,9,10,14)/t3-,4-,5+,6-,7+/m1/s1
SMILES: CN(C(=O)C[C@H]1[C@@H](N=C(O1)C2=CC=CC=C2)CC3=CC=CC=C3)OC
InChI: InChI=1S/C20H22N2O3/c1-22(24-2)19(23)14-18-17(13-15-9-5-3-6-10-15)21-20(25-18)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](O[C@@H]([C@@]1(C#N)NS(=O)(=O)C)COCC2=CC=CC=C2)OC(=O)C
InChI: InChI=1S/C18H22N2O8S/c1-12(21)26-16-17(27-13(2)22)28-15(18(16,11-19)20-29(3,23)24)10-25-9-14-7-5-4-6-8-14/h4-8,15-17,20H,9-10H2,1-3H3/t15-,16+,17-,18-/m1/s1
SMILES: C1=CC(=CC=C1CCO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI: InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1
SMILES: CCOC1=CC=C(C=C1)CN([C@H]2CCCC[C@@H]2C)S(=O)(=O)C3=CC(=C(C=C3)N4C=NN=N4)C
InChI: InChI=1S/C24H31N5O3S/c1-4-32-21-11-9-20(10-12-21)16-29(24-8-6-5-7-18(24)2)33(30,31)22-13-14-23(19(3)15-22)28-17-25-26-27-28/h9-15,17-18,24H,4-8,16H2,1-3H3/t18-,24-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C(=CC(=C4)O)Cl
InChI: InChI=1S/C18H23ClO2/c1-18-7-6-13-12(14(18)4-5-16(18)21)3-2-10-8-11(20)9-15(19)17(10)13/h8-9,12-14,16,20-21H,2-7H2,1H3/t12-,13+,14+,16+,18+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C/C=C\CN4CCN(CC4)C5=NSC6=CC=CC=C65
InChI: InChI=1S/C24H28N4O2S/c29-23-20-16-7-8-17(15-16)21(20)24(30)28(23)10-4-3-9-26-11-13-27(14-12-26)22-18-5-1-2-6-19(18)31-25-22/h1-6,16-17,20-21H,7-15H2/b4-3-/t16-,17+,20+,21-
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=C(C=CN4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=C(C=C5)Br)C(=O)C6=CC=CC=C6
InChI: InChI=1S/C31H23BrN2O4/c1-18-7-13-23(14-8-18)34-30(37)25-24-17-21(28(35)19-5-3-2-4-6-19)15-16-33(24)27(26(25)31(34)38)29(36)20-9-11-22(32)12-10-20/h2-17,24-27H,1H3/t24-,25-,26-,27+/m1/s1
SMILES: CC[C@@]1([C@@](N(C(=O)O1)C2CC(NC(C2)(C)C)(C)C)(C)O)C
InChI: InChI=1S/C16H30N2O3/c1-8-15(6)16(7,20)18(12(19)21-15)11-9-13(2,3)17-14(4,5)10-11/h11,17,20H,8-10H2,1-7H3/t15-,16-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H](C(=O)NC2=S)C=N[C@@H]3CCCC[C@H]3N
InChI: InChI=1S/C18H22N4O2S/c1-11-6-8-12(9-7-11)22-17(24)13(16(23)21-18(22)25)10-20-15-5-3-2-4-14(15)19/h6-10,13-15H,2-5,19H2,1H3,(H,21,23,25)/t13-,14+,15+/m0/s1
SMILES: CCCCOP(=O)(OCCCC)OC1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)C(Cl)(Cl)Cl
InChI: InChI=1S/C37H47Cl3NO9P/c1-3-5-22-47-51(43,48-23-6-4-2)50-35-32(41-36(42)37(38,39)40)34(46-26-30-20-14-9-15-21-30)33(45-25-29-18-12-8-13-19-29)31(49-35)27-44-24-28-16-10-7-11-17-28/h7-21,31-35H,3-6,22-27H2,1-2H3,(H,41,42)/t31-,32-,33+,34-,35?/m1/s1
SMILES: C/C=C\COC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=CC=C2)Cl
InChI: InChI=1S/C16H17ClN2O3/c1-3-4-8-22-15(20)13-10(2)18-16(21)19-14(13)11-6-5-7-12(17)9-11/h3-7,9,13-14H,2,8H2,1H3,(H2,18,19,21)/b4-3-/t13-,14+/m1/s1
SMILES: CCN(CC)C(=O)CN(C)C(=O)COC(=O)CN1C(=O)[C@]2(CCCC[C@H]2C)NC1=O
InChI: InChI=1S/C20H32N4O6/c1-5-23(6-2)15(25)11-22(4)16(26)13-30-17(27)12-24-18(28)20(21-19(24)29)10-8-7-9-14(20)3/h14H,5-13H2,1-4H3,(H,21,29)/t14-,20-/m1/s1
SMILES: C=CC[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O
InChI: InChI=1S/C12H16N2O5/c1-2-3-7-10(17)8(6-15)19-11(7)14-5-4-9(16)13-12(14)18/h2,4-5,7-8,10-11,15,17H,1,3,6H2,(H,13,16,18)/t7-,8-,10+,11-/m1/s1
SMILES: CC1=C(C(=NN1C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=C(C=C(C=C3)OC)F
InChI: InChI=1S/C21H29FN2O7/c1-10(2)24-11(3)14(7-12-5-6-13(29-4)8-15(12)22)20(23-24)31-21-19(28)18(27)17(26)16(9-25)30-21/h5-6,8,10,16-19,21,25-28H,7,9H2,1-4H3/t16-,17-,18+,19-,21+/m1/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCOC)\C)OC)OC(=O)N)\C)C)O)OC
InChI: InChI=1S/C31H47N3O9/c1-17-13-21-26(33-11-12-40-5)23(35)16-22(28(21)37)34-30(38)18(2)9-8-10-24(41-6)29(43-31(32)39)20(4)15-19(3)27(36)25(14-17)42-7/h9,15-17,19,24-25,27,29,33,36H,8,10-14H2,1-7H3,(H2,32,39)(H,34,38)/b18-9+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
SMILES: CC(=O)OC[C@]1(C2=C(C=C(C=C2OCC3=CC=CC=C3)C(=O)OC)N4C1([C@@H]5[C@H](C4)N5C(=O)OC(C)(C)C)O)C=O
InChI: InChI=1S/C29H32N2O9/c1-17(33)39-16-28(15-32)23-20(30-13-21-24(29(28,30)36)31(21)26(35)40-27(2,3)4)11-19(25(34)37-5)12-22(23)38-14-18-9-7-6-8-10-18/h6-12,15,21,24,36H,13-14,16H2,1-5H3/t21-,24-,28-,29?,31?/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NC4=CC=CC=C4)CC[C@@H]5[C@@]3(CCC(=O)N5C)C
InChI: InChI=1S/C25H36N2O/c1-24-15-13-20-18(9-12-22-25(20,2)16-14-23(28)27(22)3)19(24)10-11-21(24)26-17-7-5-4-6-8-17/h4-8,18-22,26H,9-16H2,1-3H3/t18-,19-,20-,21-,22+,24-,25+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)C45CC5)Cl
InChI: InChI=1S/C18H16ClNO2/c1-9-2-3-10(8-13(9)19)20-16(21)14-11-4-5-12(15(14)17(20)22)18(11)6-7-18/h2-5,8,11-12,14-15H,6-7H2,1H3/t11-,12+,14+,15-
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H20O9/c1-6(14)19-5-9-11(20-7(2)15)12(21-8(3)16)10(17)13(18-4)22-9/h9-13,17H,5H2,1-4H3/t9-,10-,11-,12-,13-/m1/s1
SMILES: C[C@@]12[C@H](C[C@@H](C1(C)C)C[C@@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C16H28O7/c1-15(2)7-4-9(18)16(15,3)10(5-7)23-14-13(21)12(20)11(19)8(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3/t7-,8-,9+,10+,11-,12+,13-,14+,16+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC4CCCC4)O)O
InChI: InChI=1S/C19H28N6O4/c1-19(2,3)24-17(28)14-12(26)13(27)18(29-14)25-9-22-11-15(20-8-21-16(11)25)23-10-6-4-5-7-10/h8-10,12-14,18,26-27H,4-7H2,1-3H3,(H,24,28)(H,20,21,23)/t12-,13+,14-,18+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1OC)[C@H]2[C@@H]3C(CC4=CC5=C(C=C24)OCO5)COC3=O)OC
InChI: InChI=1S/C27H34O7Si/c1-27(2,3)35(6,7)34-25-21(29-4)10-16(11-22(25)30-5)23-18-12-20-19(32-14-33-20)9-15(18)8-17-13-31-26(28)24(17)23/h9-12,17,23-24H,8,13-14H2,1-7H3/t17?,23-,24+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H]([C@@H](ON1C(=O)OCC3=CC=CC=C3)C(=O)OC)OS(=O)(=O)O2
InChI: InChI=1S/C15H17NO9S/c1-9-11-12(25-26(19,20)24-11)13(14(17)21-2)23-16(9)15(18)22-8-10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t9-,11-,12-,13-/m1/s1
SMILES: CC[C@H]1CN2CC[C@@H]1CC2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O
InChI: InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14+,19?,20-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C(=O)OC)O
InChI: InChI=1S/C38H35ClN4O8S/c1-6-51-27-13-18(7-11-26(27)44)31-20-9-10-21-30(35(47)43(33(21)45)37(49)50-5)23(20)15-24-34(46)42(36(48)38(24,31)3)29-16-25(40-41(29)4)32-17(2)22-14-19(39)8-12-28(22)52-32/h7-9,11-14,16,21,23-24,30-31,44H,6,10,15H2,1-5H3/t21-,23+,24-,30-,31-,38+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(C[C@@]2(CC[C@@H]3[C@@]2(CCC=C(CC[C@@H](CC4=CC(=C3C=C4)C(=O)C5CCCCC5)O)C)C)O)CC67CC8CC(C6)CC(C8)C7)C(C)C
InChI: InChI=1S/C51H77NO5/c1-33(2)42-17-14-35(4)22-46(42)57-48(55)52(31-50-28-37-23-38(29-50)25-39(24-37)30-50)32-51(56)21-19-45-43-18-15-36(27-44(43)47(54)40-11-7-6-8-12-40)26-41(53)16-13-34(3)10-9-20-49(45,51)5/h10,15,18,27,33,35,37-42,45-46,53,56H,6-9,11-14,16-17,19-26,28-32H2,1-5H3/t35-,37?,38?,39?,41-,42+,45-,46-,49-,50?,51+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C14H13NO4/c16-13(17)7-4-5-11-10(6-7)8-2-1-3-9(8)12(15-11)14(18)19/h1-2,4-6,8-9,12,15H,3H2,(H,16,17)(H,18,19)/p-2/t8-,9+,12+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)OC(F)(F)F)O)C(=O)N(C4=O)C(C)(C)C)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C32H29ClF4N2O6/c1-30(2,3)39-26(41)17-8-7-16-18(24(17)28(39)43)13-20-27(42)38(14-5-9-22(34)21(33)11-14)29(44)31(20,4)25(16)19-12-15(6-10-23(19)40)45-32(35,36)37/h5-7,9-12,17-18,20,24-25,40H,8,13H2,1-4H3/t17-,18+,20-,24-,25+,31+/m0/s1
SMILES: [2H]C1(C[C@H]2[C@@H]3CC[C@H]4CC5=C(C[C@@]4([C@H]3CC[C@@]2([C@@]1(C([2H])([2H])[2H])O)C)C)C(=O)NN5)[2H]
InChI: InChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20-,21-/m0/s1/i3D3,9D2
SMILES: C[C@H]1CC(=C[C@@H]([C@@H]1CN2C[C@@]34C=C[C@@H](O3)[C@@H]([C@@H]4C2=O)C(=O)[O-])C)C
InChI: InChI=1S/C19H25NO4/c1-10-6-11(2)13(12(3)7-10)8-20-9-19-5-4-14(24-19)15(18(22)23)16(19)17(20)21/h4-6,11-16H,7-9H2,1-3H3,(H,22,23)/p-1/t11-,12-,13-,14+,15-,16+,19+/m0/s1
SMILES: C1[C@H]2[C@H](CS1(=O)=O)N(C(=S)N2)C3=C(C=C(C=C3)Br)F
InChI: InChI=1S/C11H10BrFN2O2S2/c12-6-1-2-9(7(13)3-6)15-10-5-19(16,17)4-8(10)14-11(15)18/h1-3,8,10H,4-5H2,(H,14,18)/t8-,10-/m0/s1
SMILES: CC1=CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC
InChI: InChI=1S/C42H34O13/c1-23-18-27-19-28-20-29(49-2)21-30(32(28)34(44)33(27)41(48)50-23)51-42-37(55-40(47)26-16-10-5-11-17-26)36(54-39(46)25-14-8-4-9-15-25)35(31(22-43)52-42)53-38(45)24-12-6-3-7-13-24/h3-21,31,35-37,42-44H,22H2,1-2H3/t31-,35-,36+,37-,42-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@@H]4C(=CCN5N4C(=O)N(C5=O)C6=CC=CC=C6)[C@@H]2C7=CC(=C(C(=C7Br)Br)O)OC)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C38H29Br2Cl2N5O7/c1-53-22-11-8-19(9-12-22)38-25(34(49)46(35(38)50)43-27-13-10-20(41)16-26(27)42)18-28-23(30(38)24-17-29(54-2)33(48)32(40)31(24)39)14-15-44-36(51)45(37(52)47(28)44)21-6-4-3-5-7-21/h3-14,16-17,25,28,30,43,48H,15,18H2,1-2H3/t25-,28+,30+,38+/m0/s1
SMILES: CC(=O)N[C@H]1C[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H19NO7/c1-6(15)14-10-5-11(19-7(2)16)13(21-9(4)18)12(10)20-8(3)17/h10-13H,5H2,1-4H3,(H,14,15)/t10-,11-,12-,13-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NCC3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C24H35N3O4/c1-16-6-5-7-21(17(16)2)27-14-19(12-23(27)29)24(30)31-15-22(28)25-13-18-8-10-20(11-9-18)26(3)4/h8-11,16-17,19,21H,5-7,12-15H2,1-4H3,(H,25,28)/t16-,17-,19-,21+/m1/s1
SMILES: C[C@H]1[C@@H]([C@@](C[C@H]([C@@]2(C(CC[C@@]13C2C(=O)CC3)C)C)OC(=O)CC(=O)CSC4=CC=C(C=C4)OC)(C)C=C)O
InChI: InChI=1S/C31H42O6S/c1-7-29(4)17-25(37-26(34)16-21(32)18-38-23-10-8-22(36-6)9-11-23)30(5)19(2)12-14-31(20(3)28(29)35)15-13-24(33)27(30)31/h7-11,19-20,25,27-28,35H,1,12-18H2,2-6H3/t19?,20-,25+,27?,28-,29-,30-,31-/m0/s1
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)N=[N+]=[N-])S(=O)(=O)CCO
InChI: InChI=1S/C30H29N5O7S/c31-34-33-26-27(43(39,40)19-18-36)24(42-28(26)35-17-16-25(37)32-29(35)38)20-41-30(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17,24,26-28,36H,18-20H2,(H,32,37,38)/t24-,26-,27-,28-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCCC=C)N=[N+]=[N-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H25N3O8/c1-5-6-7-8-24-17-14(19-20-18)16(27-12(4)23)15(26-11(3)22)13(28-17)9-25-10(2)21/h5,13-17H,1,6-9H2,2-4H3/t13-,14-,15-,16-,17-/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22-/m1/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC=C(C=C5)OCCO)C6=CC=C(C=C6)OC)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C34H31Cl2N5O7/c1-38-32(45)39-14-13-24-28(41(39)33(38)46)18-25-30(43)40(37-27-12-7-21(35)17-26(27)36)31(44)34(25,20-5-10-22(47-2)11-6-20)29(24)19-3-8-23(9-4-19)48-16-15-42/h3-13,17,25,28-29,37,42H,14-16,18H2,1-2H3/t25-,28+,29-,34+/m0/s1
SMILES: C1C2=CC(=C(C=C2[C@@H]3[C@]1(COC4=C3C=CC(=C4OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C44H38O6/c45-44-25-35-23-39(47-27-32-15-7-2-8-16-32)40(48-28-33-17-9-3-10-18-33)24-37(35)41(44)36-21-22-38(46-26-31-13-5-1-6-14-31)43(42(36)50-30-44)49-29-34-19-11-4-12-20-34/h1-24,41,45H,25-30H2/t41-,44+/m1/s1
SMILES: CCOC(=O)[C@H](CCCCCC1CCNCC1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C(=O)O
InChI: InChI=1S/C26H45N3O5/c1-3-34-26(33)21(11-6-4-5-9-19-13-15-27-16-14-19)28-18(2)24(30)29-22-12-8-7-10-20(22)17-23(29)25(31)32/h18-23,27-28H,3-17H2,1-2H3,(H,31,32)/t18-,20-,21-,22-,23-/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)C1CCCCCCC(=O)NCC2=CC=CC=C2)O)O
InChI: InChI=1S/C27H41NO4/c1-2-3-7-14-22(29)17-18-24-23(25(30)19-26(24)31)15-10-4-5-11-16-27(32)28-20-21-12-8-6-9-13-21/h6,8-9,12-13,17-18,22-24,26,29,31H,2-5,7,10-11,14-16,19-20H2,1H3,(H,28,32)/b18-17+/t22-,23?,24+,26+/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)NC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)CN5CCC6(CC5)C(=O)NCN6C7=CC=CC=C7
InChI: InChI=1S/C39H44F3N5O6/c1-25-32(22-45-20-17-38(18-21-45)36(50)43-24-47(38)30-6-3-2-4-7-30)52-35(53-33(25)27-11-9-26(23-48)10-12-27)28-13-15-29(16-14-28)44-34(49)31-8-5-19-46(31)37(51)39(40,41)42/h2-4,6-7,9-16,25,31-33,35,48H,5,8,17-24H2,1H3,(H,43,50)(H,44,49)/t25-,31+,32+,33+,35+/m1/s1
SMILES: C[C@@H](C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(C[C@@H]([C@@H](C4)OC)O)C)C)N(C)C
InChI: InChI=1S/C24H39NO2/c1-15(25(4)5)18-9-10-19-17-8-7-16-13-22(27-6)21(26)14-24(16,3)20(17)11-12-23(18,19)2/h7,9,15,17,19-22,26H,8,10-14H2,1-6H3/t15-,17-,19-,20-,21-,22+,23+,24-/m0/s1
SMILES: C[C@@H](C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)[C@@H](C)[NH3+])OC)CO)O)[NH3+].[Cl-].[Cl-]
InChI: InChI=1S/C13H24N2O8.2ClH/c1-5(14)11(18)22-9-8(17)7(4-16)21-13(20-3)10(9)23-12(19)6(2)15;;/h5-10,13,16-17H,4,14-15H2,1-3H3;2*1H/t5-,6+,7+,8+,9-,10+,13-;;/m0../s1
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
InChI: InChI=1S/C19H23NO3/c1-12(2)14-5-7-16(8-6-14)20-18(21)11-23-19(22)17-10-13-3-4-15(17)9-13/h3-8,12-13,15,17H,9-11H2,1-2H3,(H,20,21)/t13-,15+,17-/m1/s1
SMILES: CC(=O)N1[C@@H]([C@H]([N+](=C1C2=CC=CC=C2)C)C3=CC=CC=C3)C4=CC=CC=C4.[I-]
InChI: InChI=1S/C24H23N2O.HI/c1-18(27)26-23(20-14-8-4-9-15-20)22(19-12-6-3-7-13-19)25(2)24(26)21-16-10-5-11-17-21;/h3-17,22-23H,1-2H3;1H/q+1;/p-1/t22-,23-;/m1./s1
SMILES: C[C@H]1CC[C@H](C[C@@H]1OC[C@@H](CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O)C(C)C
InChI: InChI=1S/C25H40N2O4/c1-18(2)21-6-4-19(3)24(13-21)29-16-22(28)15-27-10-8-26(9-11-27)14-20-5-7-23-25(12-20)31-17-30-23/h5,7,12,18-19,21-22,24,28H,4,6,8-11,13-17H2,1-3H3/t19-,21+,22+,24-/m0/s1
SMILES: CC1=CN([C@]2([C@@H](C1)OC(=N2)C3=CC=CC=C3)[N+](=O)[O-])N(C)C
InChI: InChI=1S/C15H18N4O3/c1-11-9-13-15(19(20)21,18(10-11)17(2)3)16-14(22-13)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3/t13-,15-/m1/s1
SMILES: CC[C@H]1CN([C@@H](C[C@H]1CC(=O)OC)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)CCO
InChI: InChI=1S/C26H32N2O5S/c1-3-19-17-27(13-14-29)25(15-20(19)16-26(30)33-2)23-18-28(24-12-8-7-11-22(23)24)34(31,32)21-9-5-4-6-10-21/h4-12,18-20,25,29H,3,13-17H2,1-2H3/t19-,20-,25-/m0/s1
SMILES: C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1C3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCO.[Cl-]
InChI: InChI=1S/C24H34NO6.ClH/c1-25(9-7-11-26)10-8-16-12-19(27-2)20(28-3)15-18(16)23(25)17-13-21(29-4)24(31-6)22(14-17)30-5;/h12-15,23,26H,7-11H2,1-6H3;1H/q+1;/p-1/t23-,25+;/m1./s1
SMILES: CC1=C[C@@H]2CC[C@@H]([C@H]([C@@]23CSC[C@H]3C1)O)C(=C)C
InChI: InChI=1S/C16H24OS/c1-10(2)14-5-4-12-6-11(3)7-13-8-18-9-16(12,13)15(14)17/h6,12-15,17H,1,4-5,7-9H2,2-3H3/t12-,13+,14+,15+,16-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=O)(OC[C@@H]6[C@H](C[C@@H](O6)N7C=CC(=NC7=O)N)OP(N(C(C)C)C(C)C)OCCC#N)SCCC#N
InChI: InChI=1S/C52H64N8O13P2S/c1-34(2)60(35(3)4)74(68-27-11-24-53)72-42-29-47(58-26-23-46(55)56-50(58)62)71-45(42)33-69-75(64,76-28-12-25-54)73-43-30-48(59-31-36(5)49(61)57-51(59)63)70-44(43)32-67-52(37-13-9-8-10-14-37,38-15-19-40(65-6)20-16-38)39-17-21-41(66-7)22-18-39/h8-10,13-23,26,31,34-35,42-45,47-48H,11-12,27-30,32-33H2,1-7H3,(H2,55,56,62)(H,57,61,63)/t42-,43-,44+,45+,47+,48+,74?,75?/m0/s1
SMILES: C[C@]1(CCCCCC1=O)[C@H]2[C@H](C(=O)N2CC(=O)OC)OCC3=CC=CC=C3
InChI: InChI=1S/C21H27NO5/c1-21(12-8-4-7-11-16(21)23)19-18(20(25)22(19)13-17(24)26-2)27-14-15-9-5-3-6-10-15/h3,5-6,9-10,18-19H,4,7-8,11-14H2,1-2H3/t18-,19-,21-/m1/s1
SMILES: COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CN2C[C@H]([C@@H]([C@H]2CO)O)F)O)O
InChI: InChI=1S/C20H36FNO8/c1-28-16(24)8-6-4-2-3-5-7-9-29-20-19(27)18(26)15(30-20)11-22-10-13(21)17(25)14(22)12-23/h13-15,17-20,23,25-27H,2-12H2,1H3/t13-,14-,15-,17+,18-,19+,20+/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CC6=CC=C(C=C6)F)C(=O)C=CC7=CC=C(C=C7)[N+](=O)[O-])OCC=C
InChI: InChI=1S/C61H81FN4O11/c1-3-5-6-7-8-9-10-11-12-16-35-63-60(70)75-49-32-33-54-52(41-49)58-50(21-14-18-37-68)46(20-13-17-36-67)40-51-53(64-77-57-22-15-19-39-73-57)42-55(61(76-54,59(51)58)74-38-4-2)65(43-45-23-28-47(62)29-24-45)56(69)34-27-44-25-30-48(31-26-44)66(71)72/h4,23-34,40-41,46,50,55,57-59,67-68H,2-3,5-22,35-39,42-43H2,1H3,(H,63,70)/t46-,50+,55-,57?,58+,59+,61+/m0/s1
SMILES: CCCCCCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34OO)C)C)C#C
InChI: InChI=1S/C28H40O5/c1-5-7-8-9-10-24(30)32-27(6-2)15-13-22-25-19(3)17-20-18-21(29)11-16-28(20,33-31)23(25)12-14-26(22,27)4/h2,18-19,22-23,25,31H,5,7-17H2,1,3-4H3/t19-,22+,23+,25+,26+,27+,28-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C=C5)O)F)C(=O)N(C4=O)C(=O)OC
InChI: InChI=1S/C25H20FNO7/c1-10-7-18(29)21-15(22(10)30)9-14-12(19(21)11-3-6-17(28)16(26)8-11)4-5-13-20(14)24(32)27(23(13)31)25(33)34-2/h3-4,6-8,13-14,19-20,28H,5,9H2,1-2H3/t13-,14+,19-,20-/m0/s1
SMILES: COC1=CC(=C(C(=C1)OC)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6CCCCC6)C(=O)N(C3=O)C7CCCCC7)O
InChI: InChI=1S/C34H42N2O7/c1-42-20-15-25(37)30(26(16-20)43-2)28-21-13-14-22-27(33(40)35(31(22)38)18-9-5-3-6-10-18)23(21)17-24-29(28)34(41)36(32(24)39)19-11-7-4-8-12-19/h13,15-16,18-19,22-24,27-29,37H,3-12,14,17H2,1-2H3/t22-,23+,24+,27-,28-,29+/m0/s1
SMILES: C1CN([C@@H](CN1CC2=CC=C(O2)C3=CC=CC=N3)C(=O)NCC(F)(F)F)C[C@H](C[C@@H](CC4=CC=CS4)C(=O)N[C@@H]5[C@@H](COC6=CC=CC=C56)O)O
InChI: InChI=1S/C36H40F3N5O6S/c37-36(38,39)22-41-35(48)29-20-43(19-25-10-11-32(50-25)28-8-3-4-12-40-28)13-14-44(29)18-24(45)16-23(17-26-6-5-15-51-26)34(47)42-33-27-7-1-2-9-31(27)49-21-30(33)46/h1-12,15,23-24,29-30,33,45-46H,13-14,16-22H2,(H,41,48)(H,42,47)/t23-,24-,29-,30+,33-/m0/s1
SMILES: CC(=CC[C@@H](/C(=C/C=C/C(=C\1/C(=O)C[C@@H]2[C@@]1(CC[C@@H]3[C@@]2(CC[C@@H]([C@]3(C)CO)OC(=O)C)C)C)/C)/C)O)C
InChI: InChI=1S/C32H48O5/c1-20(2)12-13-24(35)21(3)10-9-11-22(4)29-25(36)18-27-30(6)17-15-28(37-23(5)34)32(8,19-33)26(30)14-16-31(27,29)7/h9-12,24,26-28,33,35H,13-19H2,1-8H3/b11-9+,21-10+,29-22-/t24-,26+,27-,28-,30-,31-,32+/m0/s1
SMILES: CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)NCCC3=CC=CC=N3)O)O)N4C=CC(=O)NC4=O)O
InChI: InChI=1S/C24H29N5O11/c1-37-17-16(33)22(29-9-6-14(31)28-24(29)36)39-18(17)19(20(25)34)40-23-15(32)12(30)10-13(38-23)21(35)27-8-5-11-4-2-3-7-26-11/h2-4,6-7,9-10,12,15-19,22-23,30,32-33H,5,8H2,1H3,(H2,25,34)(H,27,35)(H,28,31,36)/t12-,15-,16+,17-,18-,19+,22+,23+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC(=O)NC3=CC=CC(=C3C)C
InChI: InChI=1S/C20H26N4O4/c1-12-7-6-9-15(14(12)3)21-18(27)22-16(25)11-24-17(26)20(23-19(24)28)10-5-4-8-13(20)2/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,23,28)(H2,21,22,25,27)/t13-,20-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)NC2=CC=C(C=C2)OC(F)(F)F)O)O)O
InChI: InChI=1S/C13H16F3NO5/c1-6-9(18)10(19)11(20)12(21-6)17-7-2-4-8(5-3-7)22-13(14,15)16/h2-6,9-12,17-20H,1H3/t6-,9-,10+,11+,12+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)CCNC6=C(C=C(C=C6)NS(=O)(=O)C)OC
InChI: InChI=1S/C31H34N2O10S/c1-38-23-11-17(33-44(4,36)37)5-6-22(23)32-8-7-18-19-12-24-25(43-15-42-24)13-20(19)28(29-21(18)14-41-31(29)35)16-9-26(39-2)30(34)27(10-16)40-3/h5-6,9-13,18,21,28-29,32-34H,7-8,14-15H2,1-4H3/t18-,21-,28-,29+/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@H]2[C@@H](CC3=CC=CC=C3N2)C4=CC=CC=C4
InChI: InChI=1S/C23H21NO2/c1-26-23(25)18-13-11-17(12-14-18)22-20(16-7-3-2-4-8-16)15-19-9-5-6-10-21(19)24-22/h2-14,20,22,24H,15H2,1H3/t20-,22-/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)N(CC=C)[C@@H]2[C@H](CC[C@H]2C(=O)OC(C)(C)C)CC3=CC=CC=C3
InChI: InChI=1S/C28H37NO2/c1-6-19-29(21(2)23-15-11-8-12-16-23)26-24(20-22-13-9-7-10-14-22)17-18-25(26)27(30)31-28(3,4)5/h6-16,21,24-26H,1,17-20H2,2-5H3/t21-,24-,25-,26-/m1/s1
SMILES: C[C@@H](C(=O)N[C@H]1[C@H](SC2=CC=CC=C2NC1=O)C3=CC=CC=C3)NC(=O)CC4=CC(=CC(=C4)F)F
InChI: InChI=1S/C26H23F2N3O3S/c1-15(29-22(32)13-16-11-18(27)14-19(28)12-16)25(33)31-23-24(17-7-3-2-4-8-17)35-21-10-6-5-9-20(21)30-26(23)34/h2-12,14-15,23-24H,13H2,1H3,(H,29,32)(H,30,34)(H,31,33)/t15-,23-,24+/m0/s1
SMILES: CCCCCCCCCCCCCC[C@H](C(=O)N1[C@@H]([C@@H](OC1=S)C2=CC=CC=C2)C)OC(=O)C
InChI: InChI=1S/C28H43NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-25(32-23(3)30)27(31)29-22(2)26(33-28(29)34)24-19-16-15-17-20-24/h15-17,19-20,22,25-26H,4-14,18,21H2,1-3H3/t22-,25-,26-/m1/s1
SMILES: COC1=CC(=C(C=C1)[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)NC4=O)O
InChI: InChI=1S/C33H25Cl2F3N4O6/c1-48-17-6-7-19(24(43)11-17)26-18-8-9-20-25(29(45)40-28(20)44)21(18)12-22-30(46)42(31(47)32(22,26)14-2-4-16(34)5-3-14)41-27-23(35)10-15(13-39-27)33(36,37)38/h2-8,10-11,13,20-22,25-26,43H,9,12H2,1H3,(H,39,41)(H,40,44,45)/t20-,21+,22-,25-,26+,32+/m0/s1
SMILES: C[C@@]12[C@@H](N(O[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C5=CC=C(C=C5)OC
InChI: InChI=1S/C26H24N2O5/c1-26-22(17-9-13-20(31-2)14-10-17)28(19-7-5-4-6-8-19)33-23(26)24(29)27(25(26)30)18-11-15-21(32-3)16-12-18/h4-16,22-23H,1-3H3/t22-,23+,26+/m0/s1
SMILES: C1CN2CCC1[C@@H]([C@H]2CC3=CN=CC=C3)OC(=O)NC4=CC=CC=C4C5=CC=CC=C5
InChI: InChI=1S/C26H27N3O2/c30-26(28-23-11-5-4-10-22(23)20-8-2-1-3-9-20)31-25-21-12-15-29(16-13-21)24(25)17-19-7-6-14-27-18-19/h1-11,14,18,21,24-25H,12-13,15-17H2,(H,28,30)/t24-,25+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2CC3=C(C=CC(=C3)S(=O)C)N(C(=O)[C@@H]2O)CC4=NCCN4
InChI: InChI=1S/C22H25N3O4S/c1-29-16-5-3-14(4-6-16)18-12-15-11-17(30(2)28)7-8-19(15)25(22(27)21(18)26)13-20-23-9-10-24-20/h3-8,11,18,21,26H,9-10,12-13H2,1-2H3,(H,23,24)/t18-,21+,30?/m0/s1
SMILES: C/C(=C/C(=O)OC[C@H]1CCCN2[C@@H]1CCCC2)/C=C/C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C26H31NO2/c1-20(11-12-21-13-14-22-7-2-3-8-23(22)18-21)17-26(28)29-19-24-9-6-16-27-15-5-4-10-25(24)27/h2-3,7-8,11-14,17-18,24-25H,4-6,9-10,15-16,19H2,1H3/b12-11+,20-17-/t24-,25-/m1/s1
SMILES: CCCCCCCC(=O)N[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OS(=O)(=O)N)C
InChI: InChI=1S/C26H40N2O4S/c1-3-4-5-6-7-8-25(29)28-24-14-13-23-22-11-9-18-17-19(32-33(27,30)31)10-12-20(18)21(22)15-16-26(23,24)2/h10,12,17,21-24H,3-9,11,13-16H2,1-2H3,(H,28,29)(H2,27,30,31)/t21-,22-,23+,24+,26+/m1/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)[C@H](O[C@H](O2)C3=CC=CC=C3)C4=CC=CC=C4)OC)O
InChI: InChI=1S/C21H24O5/c1-13-16(22)18(23-2)20-19(24-13)17(14-9-5-3-6-10-14)25-21(26-20)15-11-7-4-8-12-15/h3-13,16-22H,1-2H3/t13-,16-,17-,18-,19-,20+,21-/m1/s1