EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)C(=O)OCOC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)/C=C\COC
InChI: InChI=1S/C23H29N5O8S2/c1-23(2,3)21(32)36-11-35-20(31)16-12(7-6-8-33-4)9-37-19-15(18(30)28(16)19)26-17(29)14(27-34-5)13-10-38-22(24)25-13/h6-7,10,15,19H,8-9,11H2,1-5H3,(H2,24,25)(H,26,29)/b7-6-,27-14-/t15-,19-/m1/s1
SMILES: C=CCOC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C17H17Cl2NO3/c1-2-9-23-17(22)13-6-4-3-5-12(13)16(21)20-15-8-7-11(18)10-14(15)19/h2-4,7-8,10,12-13H,1,5-6,9H2,(H,20,21)/t12-,13+/m0/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O
InChI: InChI=1S/C14H29NO5/c1-2-3-4-5-6-7-8-19-14-13(18)11(15)12(17)10(9-16)20-14/h10-14,16-18H,2-9,15H2,1H3/t10-,11+,12+,13-,14-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC[C@@H](C(=O)N[C@@H](CCC(=O)OCC2=CC=CC=C2)C(=O)NC)N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H39N3O12/c1-15-23(41-16(2)32)24(42-17(3)33)25(43-18(4)34)28(40-15)39-14-20(29)26(36)31-21(27(37)30-5)11-12-22(35)38-13-19-9-7-6-8-10-19/h6-10,15,20-21,23-25,28H,11-14,29H2,1-5H3,(H,30,37)(H,31,36)/t15-,20-,21-,23+,24+,25-,28-/m0/s1
SMILES: CC1=C(C=C(N1)[C@H]2[C@@H]([C@H](CO2)NC(=S)N[C@H]3CO[C@H]([C@@H]3OC(=O)C)C4=CC(=C(N4)C)C(=O)C)OC(=O)C)C(=O)C
InChI: InChI=1S/C27H34N4O8S/c1-11-17(13(3)32)7-19(28-11)23-25(38-15(5)34)21(9-36-23)30-27(40)31-22-10-37-24(26(22)39-16(6)35)20-8-18(14(4)33)12(2)29-20/h7-8,21-26,28-29H,9-10H2,1-6H3,(H2,30,31,40)/t21-,22-,23-,24-,25+,26+/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@@H](C2=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C24H23NO3/c1-17-8-12-20(13-9-17)25-22(19-10-14-21(27-2)15-11-19)23(24(25)26)28-16-18-6-4-3-5-7-18/h3-15,22-23H,16H2,1-2H3/t22-,23+/m1/s1
SMILES: CC(=O)N1CCN(CC1)[C@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C24H24ClN3O3S/c1-16(29)27-12-14-28(15-13-27)24-21-7-3-5-17-4-2-6-20(22(17)21)23(24)26-32(30,31)19-10-8-18(25)9-11-19/h2-11,23-24,26H,12-15H2,1H3/t23-,24-/m1/s1
SMILES: CC1=C(C=C(C=C1)C(F)(F)F)N2C(=O)[C@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@@H]3C6=CC=C(C=C6)Cl
InChI: InChI=1S/C28H17ClF3NO5/c1-13-6-9-15(28(30,31)32)12-19(13)33-25(36)20-21(26(33)37)27(38-22(20)14-7-10-16(29)11-8-14)23(34)17-4-2-3-5-18(17)24(27)35/h2-12,20-22H,1H3/t20-,21-,22+/m0/s1
SMILES: CCCN1C(=O)CN(C1=O)C[C@@H]2C[C@H]3[C@@H](CC4=CNC5=CC=CC3=C45)N(C2)C
InChI: InChI=1S/C22H28N4O2/c1-3-7-26-20(27)13-25(22(26)28)12-14-8-17-16-5-4-6-18-21(16)15(10-23-18)9-19(17)24(2)11-14/h4-6,10,14,17,19,23H,3,7-9,11-13H2,1-2H3/t14-,17-,19-/m1/s1
SMILES: CC(=C)[C@]1(CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CCCC5(C)C)C)OC(=O)C)C)C)C)O
InChI: InChI=1S/C32H52O3/c1-20(2)32(34)18-17-28(6)23-11-12-24-29(7)15-10-14-27(4,5)26(29)22(35-21(3)33)19-31(24,9)30(23,8)16-13-25(28)32/h22-26,34H,1,10-19H2,2-9H3/t22-,23+,24+,25+,26-,28+,29+,30+,31+,32-/m0/s1
SMILES: CC[Si](CC)(CC)[C@H]1C[C@H](O[C@@H]2C[C@H]1OC2=O)[C@H](CCOCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC
InChI: InChI=1S/C31H44O6Si/c1-5-38(6-2,7-3)30-20-27(36-29-19-28(30)37-31(29)32)26(17-18-34-21-23-11-9-8-10-12-23)35-22-24-13-15-25(33-4)16-14-24/h8-16,26-30H,5-7,17-22H2,1-4H3/t26-,27-,28+,29+,30-/m0/s1
SMILES: C1=CC=C(C=C1)CSC2=NC3=CC(=C(C=C3N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl)Cl
InChI: InChI=1S/C19H18Cl2N2O4S/c20-11-6-13-14(7-12(11)21)23(18-17(26)16(25)15(8-24)27-18)19(22-13)28-9-10-4-2-1-3-5-10/h1-7,15-18,24-26H,8-9H2/t15-,16-,17-,18-/m1/s1
SMILES: COC(=O)[C@]12C[C@@H]3CCN(C1=O)[C@@]3(O2)C4=CC=CC=C4
InChI: InChI=1S/C15H15NO4/c1-19-13(18)14-9-11-7-8-16(12(14)17)15(11,20-14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-,14-,15+/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C
InChI: InChI=1S/C17H24N2O3S/c1-12-6-7-14(23(21,22)19-8-4-3-5-9-19)11-16(12)18-17(20)15-10-13(15)2/h6-7,11,13,15H,3-5,8-10H2,1-2H3,(H,18,20)/t13-,15-/m0/s1
SMILES: CC[C@@H](C)N1C(=O)[C@H](C(=O)NC1=S)C=N[C@H]2CCCC[C@@H]2[NH3+]
InChI: InChI=1S/C15H24N4O2S/c1-3-9(2)19-14(21)10(13(20)18-15(19)22)8-17-12-7-5-4-6-11(12)16/h8-12H,3-7,16H2,1-2H3,(H,18,20,22)/p+1/t9-,10+,11+,12+/m1/s1
SMILES: C[C@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C23H34N2O3S/c1-17-7-11-21(12-8-17)29(27,28)24-15-13-20(14-16-24)23(26)25-18(2)9-10-19-5-3-4-6-22(19)25/h7-8,11-12,18-20,22H,3-6,9-10,13-16H2,1-2H3/t18-,19+,22-/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
InChI: InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)C
InChI: InChI=1S/C21H24N4O5/c1-13-6-7-16-22-15(9-17(26)24(16)10-13)12-30-18(27)11-25-19(28)21(23-20(25)29)8-4-3-5-14(21)2/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,23,29)/t14-,21+/m1/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]([C@H]1CCOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)COCOC
InChI: InChI=1S/C34H43NO6/c1-33(2,3)41-32(37)35-22-20-26(24-39-25-38-4)31(36)30(35)21-23-40-34(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-19,26,30-31,36H,20-25H2,1-4H3/t26-,30-,31+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)(O)O)O)O)O)O
InChI: InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2C[C@@H](OC(C2)(C)C)C3=CC=CC=C3
InChI: InChI=1S/C22H35NO2/c1-16-11-12-18(19(24)13-16)22(4,5)23-14-20(25-21(2,3)15-23)17-9-7-6-8-10-17/h6-10,16,18-20,24H,11-15H2,1-5H3/t16-,18-,19-,20-/m1/s1
SMILES: C[C@H](CN1CCN(CC1)C)[C@H]2CC=C3[C@@]2(CCC4=C3CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C
InChI: InChI=1S/C29H48N2O/c1-20(19-31-17-15-30(6)16-18-31)22-8-9-23-21-7-10-25-27(2,3)26(32)12-14-29(25,5)24(21)11-13-28(22,23)4/h9,20,22,25-26,32H,7-8,10-19H2,1-6H3/t20-,22-,25+,26+,28-,29-/m1/s1
SMILES: C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H]([C@H](C3=C(C=C(C=C3O2)O)O)O)O
InChI: InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14-,15+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3F)Br)C4=CC=C(C=C4)OCC#N
InChI: InChI=1S/C20H16BrFN2O/c21-13-10-17-15-2-1-3-16(15)19(24-20(17)18(22)11-13)12-4-6-14(7-5-12)25-9-8-23/h1-2,4-7,10-11,15-16,19,24H,3,9H2/t15-,16+,19+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Br
InChI: InChI=1S/C18H27BrN2/c1-15-4-2-3-5-18(15)21-12-10-20(11-13-21)14-16-6-8-17(19)9-7-16/h6-9,15,18H,2-5,10-14H2,1H3/p+2/t15-,18+/m1/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2N3C(=O)[C@H]4[C@@H]5C[C@H]([C@H]4C3=O)C=C5)C
InChI: InChI=1S/C24H22N2O3/c1-13-6-5-8-18(14(13)2)25-22(27)17-7-3-4-9-19(17)26-23(28)20-15-10-11-16(12-15)21(20)24(26)29/h3-11,15-16,20-21H,12H2,1-2H3,(H,25,27)/t15-,16+,20-,21+
SMILES: CCCC(=O)OC1[C@H]([C@@]2(CC[C@@H](O2)[C@H](CC/C=C(/C[C@@]3(C1=C(C(=O)O3)C)O)\C)C)C)OC(=O)C
InChI: InChI=1S/C26H38O8/c1-7-9-20(28)32-22-21-17(4)24(29)34-26(21,30)14-15(2)10-8-11-16(3)19-12-13-25(6,33-19)23(22)31-18(5)27/h10,16,19,22-23,30H,7-9,11-14H2,1-6H3/b15-10+/t16-,19+,22?,23+,25-,26+/m0/s1
SMILES: CN(C)C(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)SC1)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C48H42N6O7S2/c1-53(2)47(58)60-28-33-29-62-44-39(43(56)54(44)40(33)45(57)61-41(31-18-8-3-9-19-31)32-20-10-4-11-21-32)50-42(55)38(52-59)37-30-63-46(49-37)51-48(34-22-12-5-13-23-34,35-24-14-6-15-25-35)36-26-16-7-17-27-36/h3-27,30,39,41,44,59H,28-29H2,1-2H3,(H,49,51)(H,50,55)/b52-38-/t39-,44-/m1/s1
SMILES: CC1CCC2(CC1)[C@@H]3[C@@H]([C@@H]4[NH+]2CCC4)C(=O)N(C3=O)C5=CC=CC=C5
InChI: InChI=1S/C21H26N2O2/c1-14-9-11-21(12-10-14)18-17(16-8-5-13-22(16)21)19(24)23(20(18)25)15-6-3-2-4-7-15/h2-4,6-7,14,16-18H,5,8-13H2,1H3/p+1/t14?,16-,17-,18-,21?/m1/s1
SMILES: C1CCC(CC1)NC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)C3=COC=C3)O)O
InChI: InChI=1S/C16H22N2O5/c19-12-8-18(16(22)10-6-7-23-9-10)13(14(12)20)15(21)17-11-4-2-1-3-5-11/h6-7,9,11-14,19-20H,1-5,8H2,(H,17,21)/t12-,13-,14-/m0/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)[O-]
InChI: InChI=1S/C22H25NO3/c24-21(19-13-7-8-14-20(19)22(25)26)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2,(H,25,26)/p-1/t19-,20+/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOC(C)(C)C)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OCC7=CC=CC(=N7)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C58H81N3O9/c1-7-9-10-11-12-13-14-15-16-26-54(64)61(38-42-27-29-51-52(34-42)67-40-66-51)53-37-49(60-70-57(4,5)6)47-35-43(23-17-19-31-62)46(25-18-20-32-63)55-48-36-45(65-39-44-24-21-22-41(3)59-44)28-30-50(48)69-58(53,56(47)55)68-33-8-2/h8,21-22,24,27-30,34-36,43,46,53,55-56,62-63H,2,7,9-20,23,25-26,31-33,37-40H2,1,3-6H3/t43-,46+,53-,55+,56+,58+/m0/s1
SMILES: CC1=CC=C(C=C1)NC2=NN=C(S2)S[C@@H]3CS(=O)(=O)C[C@H]3O
InChI: InChI=1S/C13H15N3O3S3/c1-8-2-4-9(5-3-8)14-12-15-16-13(21-12)20-11-7-22(18,19)6-10(11)17/h2-5,10-11,17H,6-7H2,1H3,(H,14,15)/t10-,11-/m1/s1
SMILES: CCC1(SCCCS1)[C@@H]2[C@H]([C@@H]2[C@@H](C3=CC=C(C=C3)Cl)O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H24Cl2OS2/c1-2-22(26-12-3-13-27-22)20-18(14-4-8-16(23)9-5-14)19(20)21(25)15-6-10-17(24)11-7-15/h4-11,18-21,25H,2-3,12-13H2,1H3/t18-,19-,20+,21+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@H]([C@H](O2)O)O)OCC3=CC=CC=C3
InChI: InChI=1S/C19H22O5/c20-17-18(23-12-15-9-5-2-6-10-15)16(24-19(17)21)13-22-11-14-7-3-1-4-8-14/h1-10,16-21H,11-13H2/t16-,17-,18+,19+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(N=C2)C(=O)NNCC3=CC=CC=C3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C16H23N4O13P3.4Na/c21-13-6-15(31-14(13)9-30-35(26,27)33-36(28,29)32-34(23,24)25)20-8-12(17-10-20)16(22)19-18-7-11-4-2-1-3-5-11;;;;/h1-5,8,10,13-15,18,21H,6-7,9H2,(H,19,22)(H,26,27)(H,28,29)(H2,23,24,25);;;;/q;4*+1/p-4/t13-,14+,15+;;;;/m0..../s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=CC4=C(CCC4)C=C3
InChI: InChI=1S/C22H26N2O5/c1-14-5-2-3-10-22(14)20(27)24(21(28)23-22)12-19(26)29-13-18(25)17-9-8-15-6-4-7-16(15)11-17/h8-9,11,14H,2-7,10,12-13H2,1H3,(H,23,28)/t14-,22-/m0/s1
SMILES: COC1=CC2=C(C=C1)O[C@@H]([C@H](O2)C3=CC4=C(C=C3)OCO4)CO
InChI: InChI=1S/C17H16O6/c1-19-11-3-5-13-15(7-11)23-17(16(8-18)22-13)10-2-4-12-14(6-10)21-9-20-12/h2-7,16-18H,8-9H2,1H3/t16-,17-/m1/s1
SMILES: COC(=O)C(CC#CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N)C(=O)OC
InChI: InChI=1S/C43H39N3O10/c1-53-39(49)30(40(50)54-2)15-9-10-25-16-21-32-31(24-25)43(42(52)45-32)33(38(44)48)35-41(51)56-36(27-13-7-4-8-14-27)34(26-11-5-3-6-12-26)46(35)37(43)28-17-19-29(20-18-28)55-23-22-47/h3-8,11-14,16-21,24,30,33-37,47H,15,22-23H2,1-2H3,(H2,44,48)(H,45,52)/t33-,34-,35-,36+,37+,43-/m1/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2OC1=O)Br)O)COCC3=CC=CC=C3
InChI: InChI=1S/C15H17BrO4/c16-13-14(18)11(10-6-12(17)20-15(10)13)8-19-7-9-4-2-1-3-5-9/h1-5,10-11,13-15,18H,6-8H2/t10-,11-,13-,14+,15-/m1/s1
SMILES: C[N+](C)(C)CC(CN[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O.[Cl-]
InChI: InChI=1S/C12H27N2O6.ClH/c1-14(2,3)5-7(16)4-13-9-11(18)10(17)8(6-15)20-12(9)19;/h7-13,15-19H,4-6H2,1-3H3;1H/q+1;/p-1/t7?,8-,9-,10-,11-,12-;/m1./s1
SMILES: CC(C)COCC1=CC=CC(=C1)C[C@H](CC[C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)O
InChI: InChI=1S/C27H42O5/c1-20(2)18-32-19-22-9-7-8-21(16-22)17-24(28)14-12-23-13-15-26(29)25(23)10-5-3-4-6-11-27(30)31/h7-9,16,20,23-25,28H,3-6,10-15,17-19H2,1-2H3,(H,30,31)/t23-,24-,25+/m0/s1
SMILES: C1COCCN1[C@@H]2[C@@H](CC3=CC=CC=C23)NC(=O)N4CCOCC4
InChI: InChI=1S/C18H25N3O3/c22-18(21-7-11-24-12-8-21)19-16-13-14-3-1-2-4-15(14)17(16)20-5-9-23-10-6-20/h1-4,16-17H,5-13H2,(H,19,22)/t16-,17+/m1/s1
SMILES: CC(=CCC/C(=C/CO/N=C\1/[C@H]2CCN3C(=O)N(C(=O)N3[C@H]2[C@@H]([C@H]4[C@@H]1O4)O)CC5=CC6=C(C=C5Cl)OCO6)/C)C
InChI: InChI=1S/C28H33ClN4O7/c1-15(2)5-4-6-16(3)8-10-39-30-22-18-7-9-32-27(35)31(13-17-11-20-21(12-19(17)29)38-14-37-20)28(36)33(32)23(18)24(34)26-25(22)40-26/h5,8,11-12,18,23-26,34H,4,6-7,9-10,13-14H2,1-3H3/b16-8+,30-22-/t18-,23-,24+,25-,26+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C4=C(C=CS4)C)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C30H28N2O7S/c1-17-4-8-20(9-5-17)28(34)37-16-24-23(39-29(35)21-10-6-18(2)7-11-21)14-25(38-24)32-15-22(27(33)31-30(32)36)26-19(3)12-13-40-26/h4-13,15,23-25H,14,16H2,1-3H3,(H,31,33,36)/t23-,24+,25+/m0/s1
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)[C@@H](C)OC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H25ClN2O5/c1-11-8-9-14(22)10-17(11)23-18(25)13(3)29-21(28)12(2)24-19(26)15-6-4-5-7-16(15)20(24)27/h8-10,12-13,15-16H,4-7H2,1-3H3,(H,23,25)/t12-,13+,15-,16+/m0/s1
SMILES: C1=CC=C(C=C1)CCN2C(=O)[C@@H]3[C@@H](C=C[C@@H]([C@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H25NO2/c30-27-25-23(21-12-6-2-7-13-21)16-17-24(22-14-8-3-9-15-22)26(25)28(31)29(27)19-18-20-10-4-1-5-11-20/h1-17,23-26H,18-19H2/t23-,24+,25-,26-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](OC1[C@@H]([C@@H](CNC(=O)N)O)O)(C(=O)O)O)O
InChI: InChI=1S/C12H21N3O9/c1-4(16)15-7-5(17)2-12(23,10(20)21)24-9(7)8(19)6(18)3-14-11(13)22/h5-9,17-19,23H,2-3H2,1H3,(H,15,16)(H,20,21)(H3,13,14,22)/t5-,6+,7+,8+,9?,12-/m0/s1
SMILES: CN1C(=O)N[C@@H]([C@H]([C@@]1(C(F)(F)F)O)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)OC
InChI: InChI=1S/C27H24ClF3N2O5/c1-33-25(35)32-23(22(26(33,36)27(29,30)31)24(34)17-6-4-3-5-7-17)18-10-13-20(21(14-18)37-2)38-15-16-8-11-19(28)12-9-16/h3-14,22-23,36H,15H2,1-2H3,(H,32,35)/t22-,23+,26-/m0/s1
SMILES: CCN(CC)C(=O)C1=C(OC(=C1)[C@H]2[C@@H]([C@@H](CN2)O)O)C
InChI: InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12+,13-/m1/s1
SMILES: CCC(=O)N1[C@H]([C@H]2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=C(C=C4)OC
InChI: InChI=1S/C22H24N2O3/c1-4-20(25)24-22(14-5-8-16(26-2)9-6-14)19-11-7-15-13-17(27-3)10-12-18(15)21(19)23-24/h5-6,8-10,12-13,19,22H,4,7,11H2,1-3H3/t19-,22-/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=CC=CC(=C5O)C)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl
InChI: InChI=1S/C30H23Cl2F5N2O5/c1-3-9-38-25(41)13-8-7-12-15(16(13)26(38)42)10-29(31)27(43)39(23-21(36)19(34)18(33)20(35)22(23)37)28(44)30(29,32)17(12)14-6-4-5-11(2)24(14)40/h4-7,13,15-17,40H,3,8-10H2,1-2H3/t13-,15+,16-,17+,29+,30-/m0/s1
SMILES: C[C@]12CCCC([C@@H]3[C@H]1C4(C[C@]2([C@H]3C(=O)O)C)SCCS4)(C)C
InChI: InChI=1S/C18H28O2S2/c1-15(2)6-5-7-16(3)13-11(15)12(14(19)20)17(16,4)10-18(13)21-8-9-22-18/h11-13H,5-10H2,1-4H3,(H,19,20)/t11-,12+,13+,16-,17-/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)NCC5=CC=CC=C5)CN(C)[C@@H](C)C6=CC=CC=C6
InChI: InChI=1S/C43H47N3O4/c1-30-40(28-46(3)31(2)35-15-8-5-9-16-35)49-42(50-41(30)36-22-20-33(29-47)21-23-36)39-19-11-18-38(25-39)37-17-10-14-34(24-37)27-45-43(48)44-26-32-12-6-4-7-13-32/h4-25,30-31,40-42,47H,26-29H2,1-3H3,(H2,44,45,48)/t30-,31-,40+,41+,42+/m0/s1
SMILES: CCO[C@@H]1[C@@H]2CC=C([C@@H](N2C(=O)OCC3=CC=CC=C3)CC1=C)C
InChI: InChI=1S/C20H25NO3/c1-4-23-19-15(3)12-18-14(2)10-11-17(19)21(18)20(22)24-13-16-8-6-5-7-9-16/h5-10,17-19H,3-4,11-13H2,1-2H3/t17-,18-,19-/m0/s1
SMILES: CC(=O)C1=CC2=C(C=C1)N[C@@H]([C@@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)C(=O)[O-]
InChI: InChI=1S/C21H19NO3/c1-12(23)15-9-10-19-18(11-15)16-3-2-4-17(16)20(22-19)13-5-7-14(8-6-13)21(24)25/h2-3,5-11,16-17,20,22H,4H2,1H3,(H,24,25)/p-1/t16-,17-,20+/m0/s1
SMILES: C[Si]1(CC2=CC[C@@H]([C@](C2)(C(=O)OC1)C#N)C3=CC=CC=C3)C
InChI: InChI=1S/C18H21NO2Si/c1-22(2)11-14-8-9-16(15-6-4-3-5-7-15)18(10-14,12-19)17(20)21-13-22/h3-8,16H,9-11,13H2,1-2H3/t16-,18-/m1/s1
SMILES: CC1=CC=CC=C1OCC(=O)OC2=CC=C(C=C2)N3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H23NO5/c1-15-6-2-5-9-20(15)28-14-21(25)29-17-12-10-16(11-13-17)24-22(26)18-7-3-4-8-19(18)23(24)27/h2,5-6,9-13,18-19H,3-4,7-8,14H2,1H3/t18-,19-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCSC3=CC=CC=C3SC)O
InChI: InChI=1S/C18H22N2O5S2/c1-11-8-20(18(23)19-17(11)22)16-7-12(21)13(25-16)9-24-10-27-15-6-4-3-5-14(15)26-2/h3-6,8,12-13,16,21H,7,9-10H2,1-2H3,(H,19,22,23)/t12-,13+,16+/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2NCCCCS)CC=C4[C@@]3(CC[C@@H](C4)O)C
InChI: InChI=1S/C23H39NOS/c1-22-11-9-17(25)15-16(22)5-6-18-19-7-8-21(24-13-3-4-14-26)23(19,2)12-10-20(18)22/h5,17-21,24-26H,3-4,6-15H2,1-2H3/t17-,18?,19?,20?,21-,22-,23-/m0/s1
SMILES: C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4C[C@@H](CC[C@@]4([C@H]3CC2)C)OP(=O)(C5=CC=CC=C5)O
InChI: InChI=1S/C25H37O3P/c1-24-14-6-9-22(24)21-11-10-18-17-19(12-16-25(18,2)23(21)13-15-24)28-29(26,27)20-7-4-3-5-8-20/h3-5,7-8,18-19,21-23H,6,9-17H2,1-2H3,(H,26,27)/t18-,19+,21-,22-,23-,24-,25-/m0/s1
SMILES: COC1=C(C=CC(=C1)/C=C/C(=C/C(=O)/C=C/C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)OC)/O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C33H40O16/c1-44-22-11-16(5-9-20(22)46-32-30(42)28(40)26(38)24(14-34)48-32)3-7-18(36)13-19(37)8-4-17-6-10-21(23(12-17)45-2)47-33-31(43)29(41)27(39)25(15-35)49-33/h3-13,24-36,38-43H,14-15H2,1-2H3/b7-3+,8-4+,18-13-/t24-,25-,26+,27+,28+,29+,30-,31-,32-,33-/m1/s1
SMILES: CC(C)CS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3C4=CC5=C(C=C4CCN3C2)OCO5
InChI: InChI=1S/C21H30N2O4S/c1-14(2)12-28(24,25)23-6-3-4-16-11-22-7-5-15-8-20-21(27-13-26-20)9-17(15)19(22)10-18(16)23/h8-9,14,16,18-19H,3-7,10-13H2,1-2H3/t16-,18+,19+/m1/s1
SMILES: C1C[C@H](OC1)CN2C(=O)O[C@H]([C@@]2(C3=CC=CC=C3)O)C4=CC=CC=C4
InChI: InChI=1S/C20H21NO4/c22-19-21(14-17-12-7-13-24-17)20(23,16-10-5-2-6-11-16)18(25-19)15-8-3-1-4-9-15/h1-6,8-11,17-18,23H,7,12-14H2/t17-,18-,20+/m0/s1
SMILES: C[C@H](C1=CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)C)O
InChI: InChI=1S/C33H58O3Si2/c1-22(34)26-16-17-27-25-15-14-23-20-24(35-37(10,11)30(2,3)4)21-29(36-38(12,13)31(5,6)7)33(23,9)28(25)18-19-32(26,27)8/h14-16,22,24,27-29,34H,17-21H2,1-13H3/t22-,24-,27+,28+,29+,32-,33+/m1/s1
SMILES: C1[C@@H]([C@H](CN(S(=O)(=O)N1CC2=CC=CC=C2NC(=O)CC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5NC(=O)CC6=CC=CC7=CC=CC=C76)O)O
InChI: InChI=1S/C42H40N4O6S/c47-39-27-45(25-33-13-3-7-21-37(33)43-41(49)23-31-17-9-15-29-11-1-5-19-35(29)31)53(51,52)46(28-40(39)48)26-34-14-4-8-22-38(34)44-42(50)24-32-18-10-16-30-12-2-6-20-36(30)32/h1-22,39-40,47-48H,23-28H2,(H,43,49)(H,44,50)/t39-,40-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCCCCNC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O
InChI: InChI=1S/C24H32N10O8/c35-5-11-15(37)17(39)23(41-11)33-9-31-13-19(27-7-29-21(13)33)25-3-1-2-4-26-20-14-22(30-8-28-20)34(10-32-14)24-18(40)16(38)12(6-36)42-24/h7-12,15-18,23-24,35-40H,1-6H2,(H,25,27,29)(H,26,28,30)/t11-,12-,15-,16-,17-,18-,23-,24-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5C(=O)O)C)C
InChI: InChI=1S/C35H48O5/c1-21(2)9-8-10-22(3)27-13-14-28-31-29(16-18-35(27,28)5)34(4)17-15-24(19-23(34)20-30(31)36)40-33(39)26-12-7-6-11-25(26)32(37)38/h6-7,11-12,20-22,24,27-29,31H,8-10,13-19H2,1-5H3,(H,37,38)/t22-,24+,27-,28+,29+,31+,34+,35-/m1/s1
SMILES: CCOC1=C2C3=C(C[C@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1
InChI: InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13-,14-,18-,19-/m0/s1
SMILES: CC1=C(CC[C@H]2[C@H]1C[C@H](C3[C@@]2(CCC[C@@]3(C)COC(=O)C)C)O)C=C
InChI: InChI=1S/C22H34O3/c1-6-16-8-9-18-17(14(16)2)12-19(24)20-21(4,13-25-15(3)23)10-7-11-22(18,20)5/h6,17-20,24H,1,7-13H2,2-5H3/t17-,18-,19+,20?,21-,22+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)CSC3=NN=NN3C4=CC=C(C=C4)O
InChI: InChI=1S/C18H23N5O2S/c24-15-9-7-14(8-10-15)23-18(19-20-21-23)26-12-17(25)22-11-3-5-13-4-1-2-6-16(13)22/h7-10,13,16,24H,1-6,11-12H2/t13-,16+/m0/s1
SMILES: C[C@]\12[C@H](OC(=O)/C1=C\C3=CC=CC=C3[N+](=O)[O-])OC(O2)(C)C
InChI: InChI=1S/C15H15NO6/c1-14(2)21-13-15(3,22-14)10(12(17)20-13)8-9-6-4-5-7-11(9)16(18)19/h4-8,13H,1-3H3/b10-8+/t13-,15-/m1/s1
SMILES: CC1=C(C=C(C=C1)C(=O)COC2=CC=CC=C2N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C
InChI: InChI=1S/C24H23NO4/c1-15-11-12-17(13-16(15)2)21(26)14-29-22-10-6-5-9-20(22)25-23(27)18-7-3-4-8-19(18)24(25)28/h3-6,9-13,18-19H,7-8,14H2,1-2H3/t18-,19+
SMILES: CC1([C@@H]2[C@H]1C(N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN3CCCCS3(=O)=O)C4CCCCC4)C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C
InChI: InChI=1S/C37H58N6O7S/c1-8-10-18-26(30(44)33(46)38-19-9-2)39-32(45)29-28-25(37(28,6)7)22-43(29)34(47)31(36(3,4)5)41-35(48)40-27(24-16-12-11-13-17-24)23-42-20-14-15-21-51(42,49)50/h1,9,24-29,31H,2,10-23H2,3-7H3,(H,38,46)(H,39,45)(H2,40,41,48)/t25-,26?,27+,28-,29?,31+/m0/s1
SMILES: CC(C)(C)OC1=CC=C(C=C1)CN2C[C@@H]3[C@H](C2)C3COCCCN4CCCCC4
InChI: InChI=1S/C25H40N2O2/c1-25(2,3)29-21-10-8-20(9-11-21)16-27-17-22-23(18-27)24(22)19-28-15-7-14-26-12-5-4-6-13-26/h8-11,22-24H,4-7,12-19H2,1-3H3/t22-,23+,24?
SMILES: CC1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C
InChI: InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14?,18-,19+,20+,22-,23+,24+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)SC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O
InChI: InChI=1S/C24H37N4O13PSSi/c1-24(2,3)44(4,5)41-19-18(12(10-29)38-21(19)28-9-7-15(31)26-23(28)35)40-42(36,37)43-11-13-16(32)17(33)20(39-13)27-8-6-14(30)25-22(27)34/h6-9,12-13,16-21,29,32-33H,10-11H2,1-5H3,(H,36,37)(H,25,30,34)(H,26,31,35)/t12-,13-,16-,17-,18-,19-,20-,21-/m1/s1
SMILES: COC1=NC2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C11H15N5O5/c1-20-11-15-5-8(12)13-3-14-9(5)16(11)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)[C@@H](C3=NC4=CC=CC=C4N3C5=CC=CC=C5)O)C(=O)O)C
InChI: InChI=1S/C22H21N3O4S/c1-22(2)17(21(28)29)25-19(27)15(20(25)30-22)16(26)18-23-13-10-6-7-11-14(13)24(18)12-8-4-3-5-9-12/h3-11,15-17,20,26H,1-2H3,(H,28,29)/t15-,16+,17+,20-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]1[C@H](O1)CO)OCC2=CC=C(C=C2)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C43H74O8Si3/c1-41(2,3)52(11,12)48-28-20-23-35(46-30-32-21-18-17-19-22-32)38(50-53(13,14)42(4,5)6)40(51-54(15,16)43(7,8)9)39(37-36(29-44)49-37)47-31-33-24-26-34(45-10)27-25-33/h17-27,35-40,44H,28-31H2,1-16H3/b23-20+/t35-,36+,37-,38+,39+,40+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NC(=C(C(=N2)C)C)C
InChI: InChI=1S/C17H27N3OS/c1-10-7-6-8-15(11(10)2)20-16(21)9-22-17-18-13(4)12(3)14(5)19-17/h10-11,15H,6-9H2,1-5H3,(H,20,21)/t10-,11-,15-/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)CC(=O)N3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4
InChI: InChI=1S/C23H31N3OS/c27-22(16-25-13-11-17-6-1-2-7-18(17)14-25)26-12-5-8-19(15-26)23-24-20-9-3-4-10-21(20)28-23/h3-4,9-10,17-19H,1-2,5-8,11-16H2/t17-,18+,19-/m0/s1
SMILES: C1=COC(=C1)CNC2=NC=NC3=C2N(C=N3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-15-10(21)14(18-6-19-15)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2N3[C@H]([C@@H]([C@H]1O2)O)NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5
InChI: InChI=1S/C23H31N5O4Si/c1-23(2,3)33(4,5)32-14-11-15-28-20-16(26-21(28)17(29)18(14)31-15)19(24-12-25-20)27-22(30)13-9-7-6-8-10-13/h6-10,12,14-15,17-18,21,26,29H,11H2,1-5H3,(H,24,25,27,30)/t14-,15+,17+,18-,21+/m0/s1
SMILES: B1(O[C@@H]2C[C@H]3C[C@@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)C4=NC=CN=C4
InChI: InChI=1S/C26H41BN8O6/c1-15(2)11-21(27-40-20-13-16-12-19(25(16,3)4)26(20,5)41-27)33-22(36)17(7-6-8-31-24(28)34-35(38)39)32-23(37)18-14-29-9-10-30-18/h9-10,14-17,19-21H,6-8,11-13H2,1-5H3,(H,32,37)(H,33,36)(H3,28,31,34)/t16-,17+,19-,20-,21+,26+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Cl)O)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C34H16Cl3F11N2O5/c35-12-1-4-18(51)16(8-12)20-14-2-3-15-19(28(53)49(27(15)52)13-6-10(33(43,44)45)5-11(7-13)34(46,47)48)17(14)9-31(36)29(54)50(30(55)32(20,31)37)26-24(41)22(39)21(38)23(40)25(26)42/h1-2,4-8,15,17,19-20,51H,3,9H2/t15-,17+,19-,20+,31+,32-/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(OC(=O)C(C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C39H49N2O10PSi/c1-26-24-41(37(44)40-35(26)42)34-23-32(49-52(51-53(7,8)9)50-36(43)38(2,3)4)33(48-34)25-47-39(27-13-11-10-12-14-27,28-15-19-30(45-5)20-16-28)29-17-21-31(46-6)22-18-29/h10-22,24,32-34H,23,25H2,1-9H3,(H,40,42,44)/t32-,33+,34+,52?/m0/s1