EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC[C@H]([C@H]1[C@]2(O1)C[C@H]3CC[C@@]2(C3(C)C)C)OC(=O)C
InChI: InChI=1S/C17H28O3/c1-6-7-13(19-11(2)18)14-17(20-14)10-12-8-9-16(17,5)15(12,3)4/h12-14H,6-10H2,1-5H3/t12-,13-,14+,16-,17-/m1/s1
SMILES: CCC1=CC=C(C=C1)NC2=NN=C(S2)S[C@H]3CS(=O)(=O)C[C@H]3O
InChI: InChI=1S/C14H17N3O3S3/c1-2-9-3-5-10(6-4-9)15-13-16-17-14(22-13)21-12-8-23(19,20)7-11(12)18/h3-6,11-12,18H,2,7-8H2,1H3,(H,15,16)/t11-,12+/m1/s1
SMILES: C1[C@H]2C[C@H]3C[C@@H]1[C@@H]([C@@H](C2)C3=O)C(=O)[O-]
InChI: InChI=1S/C11H14O3/c12-10-7-2-5-1-6(4-7)9(11(13)14)8(10)3-5/h5-9H,1-4H2,(H,13,14)/p-1/t5-,6+,7-,8+,9-/m0/s1
SMILES: C[C@H](C/C=C/C(C)COS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C27H42O6S/c1-17(16-33-34(30,31)32)6-5-7-18(2)21-8-9-22-20-15-25(29)24-14-19(28)10-12-27(24,4)23(20)11-13-26(21,22)3/h5-6,15,17-19,21-24,28H,7-14,16H2,1-4H3,(H,30,31,32)/b6-5+/t17?,18-,19-,21-,22+,23+,24-,26-,27-/m1/s1
SMILES: CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)C(C)C
InChI: InChI=1S/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13+,25-14-/t22-,23+,26+,27-,28+,29-/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)CN3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C23H33N3O3S/c27-23(26-13-6-10-21-9-4-5-11-22(21)26)19-24-14-16-25(17-15-24)30(28,29)18-12-20-7-2-1-3-8-20/h1-3,7-8,12,18,21-22H,4-6,9-11,13-17,19H2/b18-12+/t21-,22-/m1/s1
SMILES: C[C@@H]1C2CC3=C([C@@]1(CCN2CCC4=CC=CC=C4)C)C=C(C=C3)O
InChI: InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21?,22-/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)O)O.[Na+].[Na+]
InChI: InChI=1S/C13H20O13.2Na/c1-23-12-6(18)4(16)7(9(26-12)11(21)22)24-13-5(17)2(14)3(15)8(25-13)10(19)20;;/h2-9,12-18H,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2/t2-,3-,4+,5+,6+,7-,8-,9-,12+,13-;;/m0../s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3[C@H]4CC[C@@H](C2=O)N4CC5=CC=CC=C35
InChI: InChI=1S/C21H21NO/c1-13-6-8-14(9-7-13)19-20-16-5-3-2-4-15(16)12-22-17(20)10-11-18(22)21(19)23/h2-9,17-20H,10-12H2,1H3/t17-,18+,19-,20-/m1/s1
SMILES: COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H21ClN2O5/c1-27-19(26)11-6-7-14(20)15(10-11)21-16(23)8-9-22-17(24)12-4-2-3-5-13(12)18(22)25/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,21,23)/t12-,13-/m0/s1
SMILES: CC(=O)NC1=C(C=CC(=C1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)Cl
InChI: InChI=1S/C17H17ClN2O4/c1-8(21)19-13-7-11(4-5-12(13)18)20-16(22)14-9-2-3-10(6-9)15(14)17(23)24/h2-5,7,9-10,14-15H,6H2,1H3,(H,19,21)(H,20,22)(H,23,24)/p-1/t9-,10+,14+,15+/m1/s1
SMILES: COC1=C(C=CC(=C1)O)[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)N(C4=O)C8CCN(CC8)CC9=CC=CC=C9
InChI: InChI=1S/C45H40Cl2F3N5O6/c1-61-36-20-29(56)11-12-31(36)38-30-13-14-32-37(42(59)54(40(32)57)28-15-17-53(18-16-28)23-24-5-3-2-4-6-24)33(30)21-34-41(58)55(43(60)44(34,38)25-7-9-27(46)10-8-25)52-39-35(47)19-26(22-51-39)45(48,49)50/h2-13,19-20,22,28,32-34,37-38,56H,14-18,21,23H2,1H3,(H,51,52)/t32-,33+,34-,37-,38+,44+/m0/s1
SMILES: CC12[C@H]3[C@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC=C6Br
InChI: InChI=1S/C25H18BrNO2/c1-25-16-10-4-2-8-14(16)20(15-9-3-5-11-17(15)25)21-22(25)24(29)27(23(21)28)19-13-7-6-12-18(19)26/h2-13,20-22H,1H3/t20?,21-,22-,25?/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1(=O)=O)[C@@]3(C2=O)C[C@@H]3OC4CCCCC4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6)C
InChI: InChI=1S/C29H33NO6S/c1-28(2)24(25(31)36-23(19-12-6-3-7-13-19)20-14-8-4-9-15-20)30-26(32)29(27(30)37(28,33)34)18-22(29)35-21-16-10-5-11-17-21/h3-4,6-9,12-15,21-24,27H,5,10-11,16-18H2,1-2H3/t22-,24-,27+,29-/m0/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C=C6)O)F)Cl)C7=C(C(=C(C(=C7F)F)F)F)F)Cl
InChI: InChI=1S/C33H18Cl3F9N4O5/c1-47(26-14(34)5-7-17(46-26)33(43,44)45)49-27(51)12-4-3-11-13(18(12)28(49)52)9-31(35)29(53)48(25-23(41)21(39)20(38)22(40)24(25)42)30(54)32(31,36)19(11)10-2-6-16(50)15(37)8-10/h2-3,5-8,12-13,18-19,50H,4,9H2,1H3/t12-,13+,18-,19-,31+,32-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CCCOC)C[C@@H](CO)O)O)C(=C5)C(=O)C6=CC=C(C=C6)C7=CC=CC=C7)O)C
InChI: InChI=1S/C42H55NO6/c1-38-17-14-32(45)24-40(38)20-21-42(34(25-40)37(47)31-12-10-30(11-13-31)29-8-5-4-6-9-29)35(38)15-18-39(2)36(42)16-19-41(39,48)28-43(22-7-23-49-3)26-33(46)27-44/h4-6,8-13,20-21,25,32-33,35-36,44-46,48H,7,14-19,22-24,26-28H2,1-3H3/t32?,33-,35+,36+,38+,39-,40-,41+,42+/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)N)O)O)O
InChI: InChI=1S/C12H24N2O9/c13-4(1-15)8(19)11(5(18)2-16)23-12-7(14)10(21)9(20)6(3-17)22-12/h1,4-12,16-21H,2-3,13-14H2/t4-,5+,6+,7+,8+,9-,10+,11+,12-/m0/s1
SMILES: C[C@@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@H]([C@@H]3C4=CC=C(C=C4)C5=CC=CO5)C)C(=O)N2[C@H]1C6=CC=C(C=C6)C7=CC=CO7
InChI: InChI=1S/C34H34N2O4/c1-21-7-17-27-34(38)36-28(18-8-22(2)32(36)26-15-11-24(12-16-26)30-6-4-20-40-30)33(37)35(27)31(21)25-13-9-23(10-14-25)29-5-3-19-39-29/h3-6,9-16,19-22,27-28,31-32H,7-8,17-18H2,1-2H3/t21-,22-,27+,28+,31-,32-/m1/s1
SMILES: CN(C)C(=S)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSCC3=CC=CC=C3)SC1)C(=O)O
InChI: InChI=1S/C20H23N3O4S4/c1-22(2)20(28)31-10-13-9-30-18-15(17(25)23(18)16(13)19(26)27)21-14(24)11-29-8-12-6-4-3-5-7-12/h3-7,15,18H,8-11H2,1-2H3,(H,21,24)(H,26,27)/t15-,18-/m1/s1
SMILES: CCOC(=O)[C@@H]1C=C([C@H](C[C@]1(C2=COC=C2)O)OC(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C21H22O6/c1-3-26-20(23)17-11-14(2)18(12-21(17,24)16-9-10-25-13-16)27-19(22)15-7-5-4-6-8-15/h4-11,13,17-18,24H,3,12H2,1-2H3/t17-,18-,21+/m0/s1
SMILES: COC1=C(C=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)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9)O
InChI: InChI=1S/C46H35ClN2O7/c1-56-38-22-17-28(23-37(38)50)40-33-20-21-34-39(44(54)48(42(34)52)31-18-15-27(16-19-31)41(51)26-9-4-2-5-10-26)35(33)25-36-43(53)49(32-14-8-13-30(47)24-32)45(55)46(36,40)29-11-6-3-7-12-29/h2-20,22-24,34-36,39-40,50H,21,25H2,1H3/t34-,35+,36-,39-,40-,46+/m0/s1
SMILES: CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C[S+](C)CC3=CC=C(C=C3)F)O)O)OC)C.[Br-]
InChI: InChI=1S/C24H36FO4S.BrH/c1-16(2)6-11-20-23(3,29-20)22-21(28-4)19(26)12-13-24(22,27)15-30(5)14-17-7-9-18(25)10-8-17;/h6-10,19-22,26-27H,11-15H2,1-5H3;1H/q+1;/p-1/t19-,20-,21-,22-,23+,24+,30?;/m1./s1
SMILES: CCO/C(=C/[C@@H]1[C@H](OC(O1)(C)C)[C@H]2COC(O2)(C)C)/C=C/[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H40O5Si/c1-11-23-16(12-13-28(9,10)20(2,3)4)14-17-19(27-22(7,8)25-17)18-15-24-21(5,6)26-18/h12-14,17-19H,11,15H2,1-10H3/b13-12+,16-14+/t17-,18-,19+/m1/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)CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CSC7=NC=CN7C
InChI: InChI=1S/C42H42N4O7S/c1-27-36(26-54-41-43-18-19-45(41)2)52-40(53-38(27)31-16-14-28(24-47)15-17-31)34-13-7-12-33(21-34)32-11-6-10-30(20-32)23-46-37(48)22-35(39(46)49)44-42(50)51-25-29-8-4-3-5-9-29/h3-21,27,35-36,38,40,47H,22-26H2,1-2H3,(H,44,50)/t27-,35?,36+,38+,40+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5)OCC6=CC=CC=C6)O)C(=O)N(C4=O)C)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C35H32N2O6/c1-35-27(32(40)37(34(35)42)21-11-7-4-8-12-21)18-26-23(15-16-25-29(26)33(41)36(2)31(25)39)30(35)24-14-13-22(17-28(24)38)43-19-20-9-5-3-6-10-20/h3-15,17,25-27,29-30,38H,16,18-19H2,1-2H3/t25-,26+,27-,29-,30+,35+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2[C@H]3[C@@](CCCO3)([C@H](O2)CO)O
InChI: InChI=1S/C13H18N2O6/c1-7-5-15(12(18)14-10(7)17)11-9-13(19,3-2-4-20-9)8(6-16)21-11/h5,8-9,11,16,19H,2-4,6H2,1H3,(H,14,17,18)/t8-,9+,11+,13-/m1/s1
SMILES: C1=CC=C(C=C1)/C=C/C(=N/O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C15H19NO6S/c17-8-10-12(18)13(19)14(20)15(22-10)23-11(16-21)7-6-9-4-2-1-3-5-9/h1-7,10,12-15,17-21H,8H2/b7-6+,16-11-/t10-,12-,13+,14-,15+/m1/s1
SMILES: CC(=O)C1=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=C(C=C(C=C6)OCC7=CC=CC=C7)O)C)C8=CC=CC=C8
InChI: InChI=1S/C42H36N2O7/c1-24(45)26-13-15-28(16-14-26)43-38(47)32-20-19-30-33(36(32)40(43)49)22-34-39(48)44(27-11-7-4-8-12-27)41(50)42(34,2)37(30)31-18-17-29(21-35(31)46)51-23-25-9-5-3-6-10-25/h3-19,21,32-34,36-37,46H,20,22-23H2,1-2H3/t32-,33+,34-,36-,37+,42+/m0/s1
SMILES: CC1([C@H]([C@@]1(C(=O)OC)C(C)(C)O)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C16H32O4Si/c1-13(2,3)21(9,10)20-11-14(4,5)16(11,12(17)19-8)15(6,7)18/h11,18H,1-10H3/t11-,16+/m1/s1
SMILES: CC1=C(C(=O)[C@@]23C[C@@H]2CN(C3=C1OC)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)OC
InChI: InChI=1S/C24H26N2O7/c1-11-17(30-3)21-24(22(27)18(11)31-4)9-13(24)10-26(21)23(28)14-7-12-8-15(29-2)19(32-5)20(33-6)16(12)25-14/h7-8,13,25H,9-10H2,1-6H3/t13-,24+/m1/s1
SMILES: C/C(=C\C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C=C/C=C(\C)/C(=O)OC[C@@H]2C[C@H]([C@H]([C@@H]([C@H]2O)O)O)C3=C(C4=C(C=C3O)OC5=CC(=C(C=C5C4=O)O)O)O
InChI: InChI=1S/C46H52O18/c1-21(9-5-6-10-22(2)12-8-14-24(4)45(60)64-46-43(58)42(57)39(54)33(19-47)63-46)11-7-13-23(3)44(59)61-20-25-15-27(38(53)41(56)36(25)51)34-30(50)18-32-35(40(34)55)37(52)26-16-28(48)29(49)17-31(26)62-32/h5-14,16-18,25,27,33,36,38-39,41-43,46-51,53-58H,15,19-20H2,1-4H3/b6-5-,11-7+,12-8+,21-9+,22-10+,23-13+,24-14+/t25-,27-,33+,36-,38+,39+,41+,42-,43+,46-/m0/s1
SMILES: CC1=CC2=C(C=C1C)N([C@@]3([C@H](N2)C(C4=CC=CC=C4C3(C)C)(C)C)C)C
InChI: InChI=1S/C24H32N2/c1-15-13-19-20(14-16(15)2)26(8)24(7)21(25-19)22(3,4)17-11-9-10-12-18(17)23(24,5)6/h9-14,21,25H,1-8H3/t21-,24-/m1/s1
SMILES: CC1=CC(=C(C=C1)OC)NC2=C(C3=CC=CC=C3C4=C2SC5=C(N4[C@H]6[C@@H]([C@@H]([C@H](O6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)C=CC(=C5)F)OC(=O)C
InChI: InChI=1S/C52H41FN2O10S/c1-30-23-26-40(60-3)38(27-30)54-43-45(62-31(2)56)37-22-14-13-21-36(37)44-48(43)66-42-28-35(53)24-25-39(42)55(44)49-47(65-52(59)34-19-11-6-12-20-34)46(64-51(58)33-17-9-5-10-18-33)41(63-49)29-61-50(57)32-15-7-4-8-16-32/h4-28,41,46-47,49,54H,29H2,1-3H3/t41-,46-,47-,49-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]3[C@@H](C2)N(C(=O)C3=C)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H21N3O4S/c1-14-8-10-17(11-9-14)29(27,28)23-12-18-15(2)21(26)24(19(18)13-23)22-20(25)16-6-4-3-5-7-16/h3-11,18-19H,2,12-13H2,1H3,(H,22,25)/t18-,19-/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC(C)(C)C)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(C)C(=O)C=CC5=CC=C(C=C5)[N+](=O)[O-])OCC=C
InChI: InChI=1S/C54H78N4O10/c1-7-9-10-11-12-13-14-15-16-19-32-55-52(62)66-42-29-30-47-45(37-42)50-43(23-18-21-34-60)40(22-17-20-33-59)36-44-46(56-68-53(3,4)5)38-48(54(67-47,51(44)50)65-35-8-2)57(6)49(61)31-26-39-24-27-41(28-25-39)58(63)64/h8,24-31,36-37,40,43,48,50-51,59-60H,2,7,9-23,32-35,38H2,1,3-6H3,(H,55,62)/t40-,43+,48-,50+,51+,54+/m0/s1
SMILES: CCOC(=O)[C@H]1C=C(O[C@]2([C@@H]1C(=O)N(C(=O)N2C)C)C)C#N
InChI: InChI=1S/C14H17N3O5/c1-5-21-12(19)9-6-8(7-15)22-14(2)10(9)11(18)16(3)13(20)17(14)4/h6,9-10H,5H2,1-4H3/t9-,10-,14-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CCC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C21H31NO5/c1-14-7-5-6-8-17(14)22-21(24)15(2)27-20(23)12-10-16-9-11-18(25-3)19(13-16)26-4/h9,11,13-15,17H,5-8,10,12H2,1-4H3,(H,22,24)/t14-,15-,17+/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@@H](CC(O2)(C(=O)OC)O)OC(O3)(C)C)C
InChI: InChI=1S/C15H24O8/c1-13(2)19-7-9(21-13)11-10-8(20-14(3,4)22-10)6-15(17,23-11)12(16)18-5/h8-11,17H,6-7H2,1-5H3/t8-,9-,10-,11-,15?/m1/s1
SMILES: C1C[C@H]([C@@H](CC1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O
InChI: InChI=1S/C24H24O8/c25-17-9-5-15(13-19(17)27)7-11-23(29)31-21-3-1-2-4-22(21)32-24(30)12-8-16-6-10-18(26)20(28)14-16/h5-14,21-22,25-28H,1-4H2/b11-7+,12-8+/t21-,22-/m1/s1
SMILES: CCO[C@H]1[C@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@](CC3)(OO4)C)C)C
InChI: InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15-,16+,17-/m1/s1
SMILES: COC(=O)[C@@H]1CN(O[C@H]1C(=O)OC)CN2C3=CC=CC=C3N=N2
InChI: InChI=1S/C14H16N4O5/c1-21-13(19)9-7-17(23-12(9)14(20)22-2)8-18-11-6-4-3-5-10(11)15-16-18/h3-6,9,12H,7-8H2,1-2H3/t9-,12-/m1/s1
SMILES: CCO[C@@]1(C[C@H]1C(=O)N/N=C\C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C19H19N3O4/c1-2-26-19(15-6-4-3-5-7-15)12-17(19)18(23)21-20-13-14-8-10-16(11-9-14)22(24)25/h3-11,13,17H,2,12H2,1H3,(H,21,23)/b20-13-/t17-,19-/m0/s1
SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CCC2[C@@]1(CCC3C2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19?,20-,21?,22?,25+,26-/m1/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@H]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)C(=O)OC)C(=O)OC)OC(=O)C
InChI: InChI=1S/C35H44O15/c1-8-15(2)26(38)48-18-12-19(47-16(3)36)33(28(40)43-7)14-45-21-24(33)32(18)13-46-22(27(39)42-6)23(32)30(4,25(21)37)35-20-11-17(31(35,5)50-35)34(41)9-10-44-29(34)49-20/h8-10,17-25,29,37,41H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22+,23+,24-,25-,29+,30+,31+,32-,33+,34+,35+/m1/s1
SMILES: COC1=CC=CC(=C1)[C@H]2[C@@H](N3[C@@H](C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)F)C(=O)C7=CC=C(C=C7)Cl
InChI: InChI=1S/C34H23ClFNO4/c1-41-24-6-4-5-21(18-24)29-30(31(38)19-9-12-22(35)13-10-19)37-27-15-14-23(36)17-20(27)11-16-28(37)34(29)32(39)25-7-2-3-8-26(25)33(34)40/h2-18,28-30H,1H3/t28-,29+,30-/m1/s1
SMILES: C1CCC2(CC1)O[C@@H]3[C@H]([C@H](O[C@@H]3O2)C4O[C@@H]5[C@@H]6[C@H](O[C@@H]5C(O4)O)OC7(O6)CCCCC7)O
InChI: InChI=1S/C22H32O10/c23-11-12(25-19-13(11)29-21(31-19)7-3-1-4-8-21)18-26-14-15(17(24)28-18)27-20-16(14)30-22(32-20)9-5-2-6-10-22/h11-20,23-24H,1-10H2/t11-,12-,13+,14-,15-,16+,17?,18?,19+,20+/m0/s1
SMILES: COC(=O)[C@H]1[C@@H](C(=[N+](O1)[O-])C(=O)OC)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C13H12ClNO6/c1-19-12(16)10-9(7-3-5-8(14)6-4-7)11(13(17)20-2)21-15(10)18/h3-6,9,11H,1-2H3/t9-,11-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C12H10Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h4-7H,1-3H2/t4-,5+,6+,7-,10+,11-
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H](O3)C(OC)OC
InChI: InChI=1S/C22H30O4Si/c1-22(2,3)27(17-12-8-6-9-13-17,18-14-10-7-11-15-18)25-16-19-20(26-19)21(23-4)24-5/h6-15,19-21H,16H2,1-5H3/t19-,20+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CCC3C2[C@H](C[C@]4(C3CC[C@@]4(CC(=O)OCC[C@H](C[C@H](CC(=O)O)O)O)O)C)O
InChI: InChI=1S/C28H42O9/c1-26-8-5-17(29)11-16(26)3-4-20-21-6-9-28(36,27(21,2)14-22(32)25(20)26)15-24(35)37-10-7-18(30)12-19(31)13-23(33)34/h11,18-22,25,30-32,36H,3-10,12-15H2,1-2H3,(H,33,34)/t18-,19-,20?,21?,22+,25?,26+,27+,28+/m1/s1
SMILES: CC1(N([C@H](CO1)C([C@]2(C[C@@H]3[C@H](O2)CCCO3)C(=O)OCC4=CC=CC=C4)O)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C26H37NO8/c1-24(2,3)35-23(30)27-18(16-33-25(27,4)5)21(28)26(14-20-19(34-26)12-9-13-31-20)22(29)32-15-17-10-7-6-8-11-17/h6-8,10-11,18-21,28H,9,12-16H2,1-5H3/t18-,19-,20-,21?,26-/m1/s1
SMILES: C[C@@H](C(=O)N[C@]1(CC[C@@H]2[C@H]1[C@H]2C(=O)O)C(=O)O)NC(=O)OC(C)(C)C
InChI: InChI=1S/C16H24N2O7/c1-7(17-14(24)25-15(2,3)4)11(19)18-16(13(22)23)6-5-8-9(10(8)16)12(20)21/h7-10H,5-6H2,1-4H3,(H,17,24)(H,18,19)(H,20,21)(H,22,23)/t7-,8-,9-,10-,16-/m0/s1
SMILES: CC(C)[C@]1(C(=O)N2[C@H](C(=O)N3CCC[C@@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C
InChI: InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27+,28-,29+,34-,35-/m0/s1
SMILES: COC(=O)[C@H]1C[C@@H]2[C@H]3CC[C@@H]1N3CC4=C2SC=C4.Cl
InChI: InChI=1S/C14H17NO2S.ClH/c1-17-14(16)10-6-9-11-2-3-12(10)15(11)7-8-4-5-18-13(8)9;/h4-5,9-12H,2-3,6-7H2,1H3;1H/t9-,10+,11-,12+;/m1./s1
SMILES: COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)[C@H]3CC=CC[C@@H]3CC4=CC=CC=C4
InChI: InChI=1S/C24H23FN2O3/c1-30-24(29)22-21(19-14-17(25)11-12-20(19)26-22)27-23(28)18-10-6-5-9-16(18)13-15-7-3-2-4-8-15/h2-8,11-12,14,16,18,26H,9-10,13H2,1H3,(H,27,28)/t16-,18+/m1/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)Cl)C(=O)NOC
InChI: InChI=1S/C16H21ClN2O2/c1-19-12-7-8-14(19)15(16(20)18-21-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3,(H,18,20)/t12-,13+,14+,15-/m0/s1
SMILES: CC[C@H](C)/C(=C\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/C30H50O/c1-7-20(3)22(8-2)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h8,11,20-21,24-28,31H,7,9-10,12-19H2,1-6H3/b22-8-/t20-,21+,24-,25-,26+,27-,28-,29-,30+/m0/s1
SMILES: CO[C@]12CCCC[C@@]1(O[C@@H]3[C@@H]([C@H](O[C@@H]([C@H]3O2)CO)[Se]C4=CC=CC=C4)O)OC
InChI: InChI=1S/C20H28O7Se/c1-23-19-10-6-7-11-20(19,24-2)27-17-15(22)18(25-14(12-21)16(17)26-19)28-13-8-4-3-5-9-13/h3-5,8-9,14-18,21-22H,6-7,10-12H2,1-2H3/t14-,15+,16-,17-,18-,19+,20+/m1/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)CCCCCC(=O)O)O
InChI: InChI=1S/C41H39NO7/c1-24-12-11-17-29(37(24)46)36-27-19-20-28-35(40(49)42(39(28)48)21-10-4-9-18-34(44)45)31(27)22-32-38(47)30(25-13-5-2-6-14-25)23-33(43)41(32,36)26-15-7-3-8-16-26/h2-3,5-8,11-17,19,23,28,31-32,35-36,46H,4,9-10,18,20-22H2,1H3,(H,44,45)/t28-,31+,32-,35-,36+,41-/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C3=C(C=CC(=C3CCO2)OC)OC)NC(=O)C(F)(F)F)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C26H27F3N2O10/c1-13-22(41-23(32)14-4-6-15(7-5-14)31(34)35)17(30-25(33)26(27,28)29)12-20(39-13)40-24-21-16(10-11-38-24)18(36-2)8-9-19(21)37-3/h4-9,13,17,20,22,24H,10-12H2,1-3H3,(H,30,33)/t13-,17-,20-,22+,24-/m0/s1
SMILES: C/C=C(\C)/C(=O)N[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC=C4[C@@H]3CCC2=C1)[C@H](C)N(C)C)C)C
InChI: InChI=1S/C28H44N2O/c1-8-18(2)26(31)29-21-13-15-27(4)20(17-21)9-10-22-24-12-11-23(19(3)30(6)7)28(24,5)16-14-25(22)27/h8,12,17,19,21-23,25H,9-11,13-16H2,1-7H3,(H,29,31)/b18-8+/t19-,21-,22-,23+,25-,27-,28+/m0/s1
SMILES: C1C[NH+]2C[C@@H]([C@@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)NCC6=CC7=C(C=C6)OCO7
InChI: InChI=1S/C31H31N5O3/c37-31(32-16-21-6-11-29-30(14-21)39-20-38-29)27-18-35-13-12-25(27)15-26(35)17-36-19-28(33-34-36)24-9-7-23(8-10-24)22-4-2-1-3-5-22/h1-11,14,19,25-27H,12-13,15-18,20H2,(H,32,37)/p+1/t25-,26+,27-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SCCC3=C(N(CCS3)C=O)C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C18H24N2O5S2/c1-9-14-13(11(3)22)17(23)20(14)15(18(24)25)16(9)27-6-4-12-10(2)19(8-21)5-7-26-12/h8-9,11,13-14,22H,4-7H2,1-3H3,(H,24,25)/t9-,11-,13-,14-/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)C3=CC=C(C=C3)N4C=CC=C4
InChI: InChI=1S/C20H24N2O/c23-20(22-14-11-16-5-1-2-6-18(16)15-22)17-7-9-19(10-8-17)21-12-3-4-13-21/h3-4,7-10,12-13,16,18H,1-2,5-6,11,14-15H2/t16-,18+/m1/s1
SMILES: CN(C)CCN1[C@@H]([C@@H](C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C23H26N2O7/c1-24(2)7-8-25-21(13-5-6-16-19(9-13)32-12-31-16)20(23(27)28)14-10-17(29-3)18(30-4)11-15(14)22(25)26/h5-6,9-11,20-21H,7-8,12H2,1-4H3,(H,27,28)/t20-,21-/m1/s1
SMILES: CC(C1=C/C(=C/N[C@H]2[C@H](C[C@@H]([C@@H](C2)O)O)N/C=C/3\C(=O)C(=CC(=C3)C(C)(C)C)C(C)(C)C)/C(=O)C(=C1)C(C)(C)C)(C)C.[Co]
InChI: InChI=1S/C36H54N2O4.Co/c1-33(2,3)23-13-21(31(41)25(15-23)35(7,8)9)19-37-27-17-29(39)30(40)18-28(27)38-20-22-14-24(34(4,5)6)16-26(32(22)42)36(10,11)12;/h13-16,19-20,27-30,37-40H,17-18H2,1-12H3;/b21-19-,22-20-;/t27-,28+,29-,30+;
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@H]2CC(=CC[C@H]2C(=O)[O-])Cl)[N+](=O)[O-]
InChI: InChI=1S/C15H15ClN2O5/c1-8-2-5-12(13(6-8)18(22)23)17-14(19)11-7-9(16)3-4-10(11)15(20)21/h2-3,5-6,10-11H,4,7H2,1H3,(H,17,19)(H,20,21)/p-1/t10-,11+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)C
InChI: InChI=1S/C19H26N2O6S/c1-13-5-3-4-6-17(13)21-18(23)12-27-19(24)11-20-28(25,26)16-9-7-15(8-10-16)14(2)22/h7-10,13,17,20H,3-6,11-12H2,1-2H3,(H,21,23)/t13-,17-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@]35CC[C@@H]4C(=O)O5)C)O)C
InChI: InChI=1S/C22H32O5/c1-12(23)26-14-6-8-20(2)13(10-14)4-5-15-17(20)11-18(24)21(3)16-7-9-22(15,21)27-19(16)25/h13-18,24H,4-11H2,1-3H3/t13-,14+,15-,16-,17+,18+,20+,21+,22+/m1/s1
SMILES: C[C@@H]1C/C=C\CC2=C(C(=CC=C2)O)C(=O)O[C@H]3C[C@@H]1O[C@H]3O
InChI: InChI=1S/C17H20O5/c1-10-5-2-3-6-11-7-4-8-12(18)15(11)17(20)22-14-9-13(10)21-16(14)19/h2-4,7-8,10,13-14,16,18-19H,5-6,9H2,1H3/b3-2-/t10-,13+,14+,16-/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H](C[C@H](O1)OC)O[Si](C)(C)C(C)(C)C)SC(=O)C2=CC=CC=C2
InChI: InChI=1S/C20H32O4SSi/c1-14-18(25-19(21)15-11-9-8-10-12-15)16(13-17(22-5)23-14)24-26(6,7)20(2,3)4/h8-12,14,16-18H,13H2,1-7H3/t14-,16-,17+,18+/m1/s1
SMILES: CN1[C@H]2C[C@@H](O1)CN3[C@H]2[C@H](C3=O)OC4=CC=CC=C4
InChI: InChI=1S/C14H16N2O3/c1-15-11-7-10(19-15)8-16-12(11)13(14(16)17)18-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11+,12-,13-/m1/s1
SMILES: CC1=C(C(=CC=C1)CN(C2CC2)C(=O)[C@H]3CNCC[C@@H]3C4=CC=CC(=C4)C5=CC(=CC=C5)O)C
InChI: InChI=1S/C30H34N2O2/c1-20-6-3-10-25(21(20)2)19-32(26-12-13-26)30(34)29-18-31-15-14-28(29)24-9-4-7-22(16-24)23-8-5-11-27(33)17-23/h3-11,16-17,26,28-29,31,33H,12-15,18-19H2,1-2H3/t28-,29+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O
InChI: InChI=1S/C6H14NO8P/c7-3-4(9)5(15-16(11,12)13)2(1-8)14-6(3)10/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
SMILES: CCN(CC)C1=NC2=NC(=CC(=C2O1)Br)CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)C(=O)NC)O)O
InChI: InChI=1S/C22H26BrN9O5/c1-4-31(5-2)22-30-18-15(37-22)11(23)6-10(29-18)7-25-17-12-19(27-8-26-17)32(9-28-12)21-14(34)13(33)16(36-21)20(35)24-3/h6,8-9,13-14,16,21,33-34H,4-5,7H2,1-3H3,(H,24,35)(H,25,26,27)/t13-,14+,16-,21+/m0/s1
SMILES: B1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C(C4=CC=CC=C4)(C5=CC=CC=C5)OC)/C=C/C=C/C(=O)OC
InChI: InChI=1S/C36H35BO6/c1-39-32(38)26-16-17-27-37-42-33(35(40-2,28-18-8-4-9-19-28)29-20-10-5-11-21-29)34(43-37)36(41-3,30-22-12-6-13-23-30)31-24-14-7-15-25-31/h4-27,33-34H,1-3H3/b26-16+,27-17+/t33-,34-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)C[C@@]([C@@H]2C(=O)OC(C)C)(C)O)C(=O)OC(C)C
InChI: InChI=1S/C22H30O6/c1-12(2)27-20(24)18-16(23)11-22(6,26)19(21(25)28-13(3)4)17(18)15-9-7-14(5)8-10-15/h7-10,12-13,17-19,26H,11H2,1-6H3/t17-,18+,19-,22+/m0/s1
SMILES: CCCCCCC(=O)N1C2C1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
InChI: InChI=1S/C22H30N4O6/c1-4-5-6-7-8-14(27)26-13-9-25-17-15(19(29)16(23)11(2)18(17)28)12(10-32-21(24)30)22(25,31-3)20(13)26/h12-13,20H,4-10,23H2,1-3H3,(H2,24,30)/t12-,13?,20?,22-,26?/m1/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5CC5[C@]34C)Cl)C)OC(=O)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C24H29ClO4.C20H24O2/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h10-11,14-18H,5-9H2,1-4H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t14-,15+,16-,17-,18?,22-,23-,24-;16-,17-,18+,19+,20+/m01/s1
SMILES: COC(=O)C1=CC2=CC=CC=C2C=C1OC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C23H23NO6/c1-29-23(28)18-12-14-6-2-3-7-15(14)13-19(18)30-20(25)10-11-24-21(26)16-8-4-5-9-17(16)22(24)27/h2-3,6-7,12-13,16-17H,4-5,8-11H2,1H3/t16-,17-/m1/s1
SMILES: C1=CC(=CC=C1C2=NO[C@@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=CC(=C4)Cl)Cl)[N+](=O)[O-]
InChI: InChI=1S/C17H9Cl2N3O5/c18-9-5-10(19)7-12(6-9)21-16(23)13-14(20-27-15(13)17(21)24)8-1-3-11(4-2-8)22(25)26/h1-7,13,15H/t13-,15-/m1/s1
SMILES: COC1=CC=CC(=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)ON2C5=CC=CC=C5
InChI: InChI=1S/C25H19F3N2O4/c1-33-19-12-5-7-15(13-19)21-20-22(34-30(21)17-9-3-2-4-10-17)24(32)29(23(20)31)18-11-6-8-16(14-18)25(26,27)28/h2-14,20-22H,1H3/t20-,21-,22+/m1/s1
SMILES: CCNC(=O)NCC1=CC=C(C=C1)[C@@H]2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CN(CC=C)C4CCCC4
InChI: InChI=1S/C31H43N3O4/c1-4-18-34(27-8-6-7-9-27)20-28-22(3)29(25-14-12-24(21-35)13-15-25)38-30(37-28)26-16-10-23(11-17-26)19-33-31(36)32-5-2/h4,10-17,22,27-30,35H,1,5-9,18-21H2,2-3H3,(H2,32,33,36)/t22-,28+,29+,30+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C20H30N4O3/c1-15-5-3-4-6-19(15)21-20(25)16(2)22-11-13-23(14-12-22)17-7-9-18(10-8-17)24(26)27/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,21,25)/t15-,16+,19-/m0/s1
SMILES: CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CC[C@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C19H25N5O/c1-14-6-8-16(9-7-14)19-20-22-24(21-19)13-18(25)23-11-10-15-4-2-3-5-17(15)12-23/h6-9,15,17H,2-5,10-13H2,1H3/t15-,17-/m1/s1