EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC(=O)CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C12H16N2O7S/c1-20-7(16)2-5-3-14(12(22)13-10(5)19)11-9(18)8(17)6(4-15)21-11/h3,6,8-9,11,15,17-18H,2,4H2,1H3,(H,13,19,22)/t6-,8-,9-,11-/m1/s1
SMILES: CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CCC)NC(=O)C4=NC=CN=C4
InChI: InChI=1S/C33H49N7O6/c1-6-9-22(26(41)31(45)36-20-13-14-20)37-30(44)25-21-12-8-11-19(21)18-40(25)32(46)27(33(3,4)5)39-28(42)23(10-7-2)38-29(43)24-17-34-15-16-35-24/h15-17,19-23,25,27H,6-14,18H2,1-5H3,(H,36,45)(H,37,44)(H,38,43)(H,39,42)/t19-,21-,22-,23-,25-,27+/m0/s1
SMILES: C1C[C@@H]2[C@@H]3[C@@H]([C@H](N2C1)C(=O)C4=CC=C(C=C4)F)C(=O)N(C3=O)C5=CC=CC=C5F
InChI: InChI=1S/C22H18F2N2O3/c23-13-9-7-12(8-10-13)20(27)19-18-17(16-6-3-11-25(16)19)21(28)26(22(18)29)15-5-2-1-4-14(15)24/h1-2,4-5,7-10,16-19H,3,6,11H2/t16-,17-,18+,19+/m1/s1
SMILES: CC(=O)NC1=C(C=CC(=C1)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4)Cl
InChI: InChI=1S/C17H15ClN2O3/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(20)23/h2-5,7,9-10,14-15H,6H2,1H3,(H,19,21)/t9-,10+,14-,15+
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F
InChI: InChI=1S/C21H31FN4O2/c1-16-5-2-3-8-19(16)24-21(28)15-26-11-9-25(10-12-26)14-20(27)23-18-7-4-6-17(22)13-18/h4,6-7,13,16,19H,2-3,5,8-12,14-15H2,1H3,(H,23,27)(H,24,28)/t16-,19+/m1/s1
SMILES: C[C@@H](CCC=C(C)C)N1C[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C1=O)C(=O)O
InChI: InChI=1S/C17H23NO4/c1-10(2)5-4-6-11(3)18-9-17-8-7-12(22-17)13(16(20)21)14(17)15(18)19/h5,7-8,11-14H,4,6,9H2,1-3H3,(H,20,21)/t11-,12+,13+,14+,17+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=C(C8=CC=CC=C78)O)C(=O)N(C5=O)C(=O)N
InChI: InChI=1S/C38H32N4O6/c1-20-11-13-22(14-12-20)40-42-34(45)29-19-28-26(15-16-27-31(28)35(46)41(33(27)44)37(39)48)32(38(29,36(42)47)21-7-3-2-4-8-21)25-17-18-30(43)24-10-6-5-9-23(24)25/h2-15,17-18,27-29,31-32,40,43H,16,19H2,1H3,(H2,39,48)/t27-,28+,29-,31-,32-,38+/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)NC(=O)C)CSC4=NN=C(S4)C
InChI: InChI=1S/C24H27N3O4S2/c1-14-21(13-32-24-27-26-16(3)33-24)30-23(19-5-4-6-20(11-19)25-15(2)29)31-22(14)18-9-7-17(12-28)8-10-18/h4-11,14,21-23,28H,12-13H2,1-3H3,(H,25,29)/t14-,21+,22+,23+/m0/s1
SMILES: CC(=O)C1CN2[C@@H]3C[C@H]1[C@@H]([C@H]2CC4=C3N(C5=CC=CC=C45)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H38N2O2Si/c1-16(29)20-14-28-23-13-19-17-10-8-9-11-22(17)27(5)25(19)24(28)12-18(20)21(23)15-30-31(6,7)26(2,3)4/h8-11,18,20-21,23-24H,12-15H2,1-7H3/t18-,20?,21+,23-,24-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)N/N=C\C2=CC=C(C=C2)OCC#N
InChI: InChI=1S/C18H24N4OS/c1-13-4-3-5-17(14(13)2)21-18(24)22-20-12-15-6-8-16(9-7-15)23-11-10-19/h6-9,12-14,17H,3-5,11H2,1-2H3,(H2,21,22,24)/b20-12-/t13-,14-,17-/m1/s1
SMILES: CN(C1CC1)C2=C(C=C(C=N2)C(=O)N[C@@H]3CCCC[C@H]3O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H26ClN3O2/c1-26(17-10-11-17)21-18(14-6-8-16(23)9-7-14)12-15(13-24-21)22(28)25-19-4-2-3-5-20(19)27/h6-9,12-13,17,19-20,27H,2-5,10-11H2,1H3,(H,25,28)/t19-,20-/m1/s1
SMILES: CO[C@@H]1[C@H](O[C@]([C@@H]([C@H]1OC)OC)(C2=CC=C(C=C2)[N+]#[C-])OC)CO
InChI: InChI=1S/C17H23NO6/c1-18-12-8-6-11(7-9-12)17(23-5)16(22-4)15(21-3)14(20-2)13(10-19)24-17/h6-9,13-16,19H,10H2,2-5H3/t13-,14-,15+,16-,17+/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)CCN2C(=O)[C@@H]3CC=C(C[C@H]3C2=O)Cl
InChI: InChI=1S/C18H19ClN2O4/c1-25-13-5-3-12(4-6-13)20-16(22)8-9-21-17(23)14-7-2-11(19)10-15(14)18(21)24/h2-6,14-15H,7-10H2,1H3,(H,20,22)/t14-,15-/m1/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN=[N+]5C=CN(C=C5)C)/C
InChI: InChI=1S/C43H54N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-19,21,23-25,29,34-35,39,44,49-50H,20H2,1-10H3,(H2,45,51,52,53,54,55)/p+1/b12-11+,19-14+,22-13-/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=C(C=C3)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C29H32O7/c1-30-23-15-13-22(14-16-23)28-34-19-24-25(36-28)26(32-17-20-9-5-3-6-10-20)27(29(31-2)35-24)33-18-21-11-7-4-8-12-21/h3-16,24-29H,17-19H2,1-2H3/t24-,25-,26+,27-,28?,29+/m1/s1
SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C18H21NO5/c1-23-17(21)12-5-6-13(18(22)24-2)15(9-12)19-16(20)14-8-10-3-4-11(14)7-10/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,19,20)/t10-,11+,14-/m0/s1
SMILES: CC[C@]1(SCCC[S@]1=O)/C(=C/C2=CC=C(C=C2)C(C)(C)C)/O
InChI: InChI=1S/C18H26O2S2/c1-5-18(21-11-6-12-22(18)20)16(19)13-14-7-9-15(10-8-14)17(2,3)4/h7-10,13,19H,5-6,11-12H2,1-4H3/b16-13-/t18-,22-/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3=NC4=CC=CC=C4S3)C(=O)[O-])/C=C/C[N+]5=CC=CC=C5
InChI: InChI=1S/C24H20N4O4S3/c29-18(14-34-24-25-16-8-2-3-9-17(16)35-24)26-19-21(30)28-20(23(31)32)15(13-33-22(19)28)7-6-12-27-10-4-1-5-11-27/h1-11,19,22H,12-14H2,(H-,26,29,31,32)/b7-6+/t19-,22-/m1/s1
SMILES: C/C=C\[C@@H]1C[C@@H](N2[C@H]1[C@H]([C@@H](CC2=O)O)NC(=O)C)C(=O)O
InChI: InChI=1S/C14H20N2O5/c1-3-4-8-5-9(14(20)21)16-11(19)6-10(18)12(13(8)16)15-7(2)17/h3-4,8-10,12-13,18H,5-6H2,1-2H3,(H,15,17)(H,20,21)/b4-3-/t8-,9-,10-,12+,13-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(CC2=CC=CC=C2)C[C@@]3(CC[C@@H]4[C@@]3(CCC=C(CC[C@@H](CC5=CC(=C4C=C5)C(=O)C6=CC7=CC=CC=C7S6)O)C)C)O)C(C)C
InChI: InChI=1S/C49H61NO5S/c1-32(2)39-21-18-34(4)26-43(39)55-47(53)50(30-35-13-7-6-8-14-35)31-49(54)25-23-42-40-22-19-36(27-38(51)20-17-33(3)12-11-24-48(42,49)5)28-41(40)46(52)45-29-37-15-9-10-16-44(37)56-45/h6-10,12-16,19,22,28-29,32,34,38-39,42-43,51,54H,11,17-18,20-21,23-27,30-31H2,1-5H3/t34-,38-,39+,42-,43-,48-,49+/m0/s1
SMILES: CCC[C@@H]1[C@H]([C@H]([C@H](N[C@H]1C2=CC=CC=C2)C3=CC=CC=C3)C)O
InChI: InChI=1S/C21H27NO/c1-3-10-18-20(17-13-8-5-9-14-17)22-19(15(2)21(18)23)16-11-6-4-7-12-16/h4-9,11-15,18-23H,3,10H2,1-2H3/t15-,18-,19-,20-,21-/m0/s1
SMILES: C1CC[C@@H]2C[NH+](CC[C@H]2C1)CC(=O)N3CC(=O)NC4=CC=CC=C43
InChI: InChI=1S/C19H25N3O2/c23-18-12-22(17-8-4-3-7-16(17)20-18)19(24)13-21-10-9-14-5-1-2-6-15(14)11-21/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,20,23)/p+1/t14-,15-/m1/s1
SMILES: COCO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)Cl)O
InChI: InChI=1S/C29H33ClO6/c1-32-20-36-27-25(31)24(30)26(33-17-21-11-5-2-6-12-21)28(34-18-22-13-7-3-8-14-22)29(27)35-19-23-15-9-4-10-16-23/h2-16,24-29,31H,17-20H2,1H3/t24-,25+,26+,27+,28-,29-/m0/s1
SMILES: CC1=CC(=CC=C1)CC2=CC=CC=C2O[C@@H]3C[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO
InChI: InChI=1S/C21H26O5/c1-13-5-4-6-14(9-13)10-15-7-2-3-8-17(15)26-18-11-16(12-22)19(23)21(25)20(18)24/h2-9,16,18-25H,10-12H2,1H3/t16-,18-,19-,20+,21+/m1/s1
SMILES: CC1([C@]2([C@@]1(C(=O)NC2=O)C#N)C#N)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C16H13N3O4/c1-14(9-4-5-10(22-2)11(6-9)23-3)15(7-17)12(20)19-13(21)16(14,15)8-18/h4-6H,1-3H3,(H,19,20,21)/t14?,15-,16+
SMILES: C1[C@@]2([C@@H](C3=CC=CC=C3OC2=O)C4=C(S1)NC(=O)S4)CC(=O)[O-]
InChI: InChI=1S/C15H11NO5S2/c17-9(18)5-15-6-22-12-11(23-14(20)16-12)10(15)7-3-1-2-4-8(7)21-13(15)19/h1-4,10H,5-6H2,(H,16,20)(H,17,18)/p-1/t10-,15+/m0/s1
SMILES: CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@H]([C@@]34CO4)O2)C)CO
InChI: InChI=1S/C15H22O3/c1-10-3-6-14(8-16)12(7-10)18-11-4-5-13(14,2)15(11)9-17-15/h7,11-12,16H,3-6,8-9H2,1-2H3/t11-,12-,13-,14-,15+/m1/s1
SMILES: CC1=C2[C@@H]([C@@H]3[C@@H]([C@@H](C1)O)C(=C)C(=O)O3)C(=CC2=O)CO
InChI: InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3/t9-,12-,13+,14+/m1/s1
SMILES: C1C[C@@]2(C[C@@H](CO2)C3=C(C=CC(=C3)OC(F)(F)F)OC4CC4)[C@@H](NC1)C5=CC=C(C=C5)F
InChI: InChI=1S/C24H25F4NO3/c25-17-4-2-15(3-5-17)22-23(10-1-11-29-22)13-16(14-30-23)20-12-19(32-24(26,27)28)8-9-21(20)31-18-6-7-18/h2-5,8-9,12,16,18,22,29H,1,6-7,10-11,13-14H2/t16-,22-,23+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@@]2(CC3=C1N=C(S3)NC(=O)C4CC4)C)[C@H](C)C(=O)NCCOC)O
InChI: InChI=1S/C23H35N3O4S/c1-12(20(28)24-9-10-30-4)15-7-8-23(3)11-16-18(13(2)17(23)19(15)27)25-22(31-16)26-21(29)14-5-6-14/h12-15,17,19,27H,5-11H2,1-4H3,(H,24,28)(H,25,26,29)/t12-,13-,15-,17+,19-,23+/m0/s1
SMILES: C[C@]1([C@@H]2CC[C@@H](C2)C1(C)C)NC(=O)C[NH+]3CCOCC3
InChI: InChI=1S/C16H28N2O2/c1-15(2)12-4-5-13(10-12)16(15,3)17-14(19)11-18-6-8-20-9-7-18/h12-13H,4-11H2,1-3H3,(H,17,19)/p+1/t12-,13+,16+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@H]2[C@@H](C3=CN=CC=C3)O.Cl
InChI: InChI=1S/C16H17NO.ClH/c1-11-4-6-12(7-5-11)14-9-15(14)16(18)13-3-2-8-17-10-13;/h2-8,10,14-16,18H,9H2,1H3;1H/t14-,15+,16-;/m1./s1
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)N2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C20H29FN2O3S/c1-3-23(4-2)27(25,26)17-9-10-19(21)18(13-17)20(24)22-12-11-15-7-5-6-8-16(15)14-22/h9-10,13,15-16H,3-8,11-12,14H2,1-2H3/t15-,16+/m0/s1
SMILES: C/C=C\1/C[C@H]([C@@H](COCC2=CCN3[C@H]2[C@@H](CC3)OC1)C)C
InChI: InChI=1S/C18H29NO2/c1-4-15-9-13(2)14(3)10-20-12-16-5-7-19-8-6-17(18(16)19)21-11-15/h4-5,13-14,17-18H,6-12H2,1-3H3/b15-4-/t13-,14-,17-,18-/m1/s1
SMILES: COC(=O)[C@@]12[C@@H](CCCC1=O)CC(=O)[C@H]3[C@@H]2CCC4=C3CCCC4=O
InChI: InChI=1S/C20H24O5/c1-25-19(24)20-11(4-2-7-17(20)23)10-16(22)18-13-5-3-6-15(21)12(13)8-9-14(18)20/h11,14,18H,2-10H2,1H3/t11-,14-,18+,20+/m0/s1
SMILES: CC(=C[C@H]1O[C@H]2[C@@H]3[C@@]4(O3)[C@H](CC[C@]5([C@]4(CC[C@@H]6[C@@]5(C7=C(C6)C8=C(N7)C=CC9=C8C[C@@H]3[C@H](C9=O)C(OC3(C)C)(C)C)C)O)C)O[C@@H]2C(O1)(C)C)C
InChI: InChI=1S/C42H55NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,17,21,25,27-28,30,32,34-35,43,45H,13-16,18-19H2,1-10H3/t21-,25+,27-,28-,30+,32+,34-,35+,39+,40+,41-,42-/m0/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC=CC=C4OCCO)C(=O)N(C3=O)CCC(=O)O)[C@@H]5[C@H]1C(=O)N(C5=O)CCC(=O)O
InChI: InChI=1S/C28H30N2O10/c31-11-12-40-19-4-2-1-3-15(19)22-14-5-6-16-23(27(38)29(25(16)36)9-7-20(32)33)17(14)13-18-24(22)28(39)30(26(18)37)10-8-21(34)35/h1-5,16-18,22-24,31H,6-13H2,(H,32,33)(H,34,35)/t16-,17+,18+,22+,23-,24+/m0/s1
SMILES: CN(C)/C=N/C1=C2C(=NC=N1)N(N=C2Br)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI: InChI=1S/C34H35BrN6O5/c1-40(2)21-38-32-30-31(35)39-41(33(30)37-20-36-32)29-18-27(42)28(46-29)19-45-34(22-8-6-5-7-9-22,23-10-14-25(43-3)15-11-23)24-12-16-26(44-4)17-13-24/h5-17,20-21,27-29,42H,18-19H2,1-4H3/b38-21+/t27-,28+,29+/m0/s1
SMILES: C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)C3(CC3C4=CSC(=N4)C)C)C
InChI: InChI=1S/C28H43NO6S/c1-15-9-8-10-28(7)22(35-28)12-21(27(6)13-18(27)19-14-36-17(3)29-19)34-23(31)11-20(30)26(4,5)25(33)16(2)24(15)32/h14-16,18,20-22,24,30,32H,8-13H2,1-7H3/t15-,16+,18?,20-,21-,22-,24-,27?,28+/m0/s1
SMILES: C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C22H26N2O6/c1-14(20(26)23-13-15-7-9-16(29-2)10-8-15)30-19(25)11-12-24-21(27)17-5-3-4-6-18(17)22(24)28/h3-4,7-10,14,17-18H,5-6,11-13H2,1-2H3,(H,23,26)/t14-,17-,18-/m0/s1
SMILES: CC(C(C[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CCC3C2=CC(=O)[C@]4([C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)C)O)O)O)C(=C)C)O
InChI: InChI=1S/C29H46O8/c1-15(2)17(16(3)30)11-23(33)27(6,35)22-8-10-28(36)19-12-24(34)29(37)14-21(32)20(31)13-26(29,5)18(19)7-9-25(22,28)4/h12,16-18,20-23,30-33,35-37H,1,7-11,13-14H2,2-6H3/t16?,17?,18?,20-,21+,22-,23+,25+,26+,27+,28+,29+/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)C5=NC6=CC=CC=C6N=C5)CN(CC=C)C7CCCC7
InChI: InChI=1S/C43H46N4O4/c1-3-22-47(36-14-4-5-15-36)27-40-29(2)41(32-20-18-30(28-48)19-21-32)51-43(50-40)35-13-9-12-34(24-35)33-11-8-10-31(23-33)25-45-42(49)39-26-44-37-16-6-7-17-38(37)46-39/h3,6-13,16-21,23-24,26,29,36,40-41,43,48H,1,4-5,14-15,22,25,27-28H2,2H3,(H,45,49)/t29-,40+,41+,43+/m1/s1
SMILES: COC1=CC=CC=C1N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C31H24N2O6/c1-37-25-15-9-8-14-24(25)32-29(34)26-27(33(39-28(26)30(32)35)22-12-6-3-7-13-22)20-16-18-23(19-17-20)38-31(36)21-10-4-2-5-11-21/h2-19,26-28H,1H3/t26-,27-,28-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)[C@@H]([C@@H]([C@@]5([C@]4([C@H](C=C(C5)C)O)O)O)OC(=O)C)O)O)O)O
InChI: InChI=1S/C27H30O12/c1-9-6-16(30)27(37)19-18(24(35)25(39-11(3)28)26(27,36)8-9)23(34)17-13(22(19)33)5-4-12(21(17)32)15-7-14(29)20(31)10(2)38-15/h4-6,10,14-16,20,24-25,29-32,35-37H,7-8H2,1-3H3/t10-,14-,15-,16+,20-,24+,25+,26+,27-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H]([C@@H]2C=O)/C=C/[Si](C)(C)C
InChI: InChI=1S/C16H22O2Si/c1-18-13-7-5-12(6-8-13)16-14(15(16)11-17)9-10-19(2,3)4/h5-11,14-16H,1-4H3/b10-9+/t14-,15+,16+/m1/s1
SMILES: C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9+,10+,11+,12+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@]12CCCC[C@H]1C[C@@H]2C(=O)OC
InChI: InChI=1S/C16H30O3Si/c1-15(2,3)20(5,6)19-16-10-8-7-9-12(16)11-13(16)14(17)18-4/h12-13H,7-11H2,1-6H3/t12-,13+,16+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5CCOCC6=CC=C(C=C6)OC)C)C
InChI: InChI=1S/C44H64O4/c1-30(2)10-9-11-31(3)39-20-21-40-38-19-16-34-28-36(22-25-43(34,4)41(38)23-26-44(39,40)5)48-42(45)37-13-8-7-12-33(37)24-27-47-29-32-14-17-35(46-6)18-15-32/h7-8,12-15,17-18,30-31,34,36,38-41H,9-11,16,19-29H2,1-6H3/t31-,34+,36+,38+,39-,40+,41+,43+,44-/m1/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)NCC[NH+]2CCOCC2)C(=O)NC3=CC(=CC=C3)OC
InChI: InChI=1S/C23H36N4O4/c1-3-18-17-27(23(29)25-20-5-4-6-21(16-20)30-2)9-7-19(18)15-22(28)24-8-10-26-11-13-31-14-12-26/h4-6,16,18-19H,3,7-15,17H2,1-2H3,(H,24,28)(H,25,29)/p+1/t18-,19-/m0/s1
SMILES: C[C@@]12CC3(C([C@@]1(CC4(C2C(=C4C(=O)OC)C(=O)OC)N5CCCC5)C)C(=C3C(=O)OC)C(=O)OC)N6CCCC6
InChI: InChI=1S/C30H40N2O8/c1-27-15-29(31-11-7-8-12-31)20(26(36)40-6)18(24(34)38-4)22(29)28(27,2)16-30(32-13-9-10-14-32)19(25(35)39-5)17(21(27)30)23(33)37-3/h21-22H,7-16H2,1-6H3/t21?,22?,27-,28-,29?,30?/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=CC=CC=C3F
InChI: InChI=1S/C19H21FN2O5/c20-14-7-3-4-8-15(14)21-16(23)11-27-17(24)9-10-22-18(25)12-5-1-2-6-13(12)19(22)26/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H,21,23)/t12-,13-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CN(C)CC3=CC4=C(C=C3)C=C(C=C4)OC
InChI: InChI=1S/C23H29N3O3/c1-16-6-4-5-11-23(16)21(27)26(22(28)24-23)15-25(2)14-17-7-8-19-13-20(29-3)10-9-18(19)12-17/h7-10,12-13,16H,4-6,11,14-15H2,1-3H3,(H,24,28)/t16-,23+/m1/s1
SMILES: CCOC(=O)[C@@]12C[C@@H]([C@@H](O1)[C@H](O2)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OC(=O)C
InChI: InChI=1S/C34H50O8Si2/c1-11-37-31(36)34-22-27(39-24(2)35)29(40-34)30(41-34)28(23-38-43(9,10)32(3,4)5)42-44(33(6,7)8,25-18-14-12-15-19-25)26-20-16-13-17-21-26/h12-21,27-30H,11,22-23H2,1-10H3/t27-,28+,29+,30+,34-/m0/s1
SMILES: COC1=CC=CC(=C1)C2=NC=C(C=C2)CNC3=NC4=CC=CC=C4N3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C25H26N4O5/c1-33-17-6-4-5-16(11-17)18-10-9-15(12-26-18)13-27-25-28-19-7-2-3-8-20(19)29(25)24-23(32)22(31)21(14-30)34-24/h2-12,21-24,30-32H,13-14H2,1H3,(H,27,28)/t21-,22-,23-,24-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(C)C
InChI: InChI=1S/C17H27N3O4/c1-10(2)14-7-6-11(3)8-15(14)24-16(21)9-19-13(5)17(20(22)23)12(4)18-19/h10-11,14-15H,6-9H2,1-5H3/t11-,14-,15+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=CC3=C2C(=O)C4=C(C3=O)C=C(C=C4O)C)O)O)O)O
InChI: InChI=1S/C21H20O9/c1-7-3-10-14(12(23)4-7)18(26)15-11(17(10)25)5-9(22)6-13(15)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1
SMILES: CC1=C[C@@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C(=C3)CC=C(C)C)O)O)C4=CC(=C(C=C4O)O)C(=O)/C=C/C5=C(C=C(C=C5)O)O
InChI: InChI=1S/C40H38O10/c1-20(2)4-5-23-14-31(38(49)18-34(23)45)40(50)39-28(26-10-9-25(42)16-35(26)46)12-21(3)13-29(39)27-17-30(37(48)19-36(27)47)32(43)11-7-22-6-8-24(41)15-33(22)44/h4,6-11,13-19,28-29,39,41-42,44-49H,5,12H2,1-3H3/b11-7+/t28-,29+,39-/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C25H21N3O6/c1-2-33-20-14-12-17(13-15-20)26-24(29)21-22(16-8-10-19(11-9-16)28(31)32)27(34-23(21)25(26)30)18-6-4-3-5-7-18/h3-15,21-23H,2H2,1H3/t21-,22-,23-/m0/s1
SMILES: C1C[C@@H]2CC3=C(C[C@H]1[C@@]24CN(S(=O)(=O)N4)CC(F)(F)F)C=CC(=C3)/C=C/C[N+]5(CCC(CC5)C(F)(F)F)[O-]
InChI: InChI=1S/C25H31F6N3O3S/c26-24(27,28)16-33-15-23(32-38(33,36)37)21-5-6-22(23)14-19-12-17(3-4-18(19)13-21)2-1-9-34(35)10-7-20(8-11-34)25(29,30)31/h1-4,12,20-22,32H,5-11,13-16H2/b2-1+/t20?,21-,22+,23-,34?/m0/s1
SMILES: COC1=CC=CC(=C1)N2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C19H17BrN2O4S2/c1-26-15-4-2-3-14(9-15)22-16-10-28(24,25)11-17(16)27-19(22)21-18(23)12-5-7-13(20)8-6-12/h2-9,16-17H,10-11H2,1H3/t16-,17+/m0/s1
SMILES: C[C@]1(C[C@H]1C2CCCCC2)[C@H](C3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)CC5=CC=CC=C5
InChI: InChI=1S/C31H35NO/c1-31(22-28(31)26-15-9-4-10-16-26)30(32-29(33)21-23-11-5-2-6-12-23)27-19-17-25(18-20-27)24-13-7-3-8-14-24/h2-3,5-8,11-14,17-20,26,28,30H,4,9-10,15-16,21-22H2,1H3,(H,32,33)/t28-,30-,31+/m0/s1
SMILES: CCOC1=CC=C(C=C1)C[C@@]2([C@@H](CCCN2C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C(=O)OCC
InChI: InChI=1S/C28H43NO7/c1-9-33-22-15-13-20(14-16-22)19-28(24(31)34-10-2)21(18-23(30)35-26(3,4)5)12-11-17-29(28)25(32)36-27(6,7)8/h13-16,21H,9-12,17-19H2,1-8H3/t21-,28+/m0/s1
SMILES: CCOC(=O)C1=C(N=C2CCCC(=O)[C@H]2[C@H]1C3=CC=C(C=C3)C)C
InChI: InChI=1S/C20H23NO3/c1-4-24-20(23)17-13(3)21-15-6-5-7-16(22)19(15)18(17)14-10-8-12(2)9-11-14/h8-11,18-19H,4-7H2,1-3H3/t18-,19-/m0/s1
SMILES: CC(C)C(C(=O)O[C@@H](C[C@@H](CC1=CC=CC=C1)C(=O)N2[C@@H]3[C@@H](CC4=CC=CC=C34)OC2(C)C)CN5CCN(C[C@H]5C(=O)NC(C)(C)C)CC6=CN=CC=C6)NC(=O)OC(C)(C)C
InChI: InChI=1S/C49H68N6O7/c1-32(2)41(51-46(59)62-48(6,7)8)45(58)60-37(30-54-24-23-53(29-34-19-16-22-50-28-34)31-39(54)43(56)52-47(3,4)5)26-36(25-33-17-12-11-13-18-33)44(57)55-42-38-21-15-14-20-35(38)27-40(42)61-49(55,9)10/h11-22,28,32,36-37,39-42H,23-27,29-31H2,1-10H3,(H,51,59)(H,52,56)/t36-,37+,39+,40-,41?,42+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC=C
InChI: InChI=1S/C17H23ClN2O3S/c1-3-10-19-24(22,23)16-11-13(8-9-14(16)18)17(21)20-15-7-5-4-6-12(15)2/h3,8-9,11-12,15,19H,1,4-7,10H2,2H3,(H,20,21)/t12-,15-/m1/s1
SMILES: CCSCC[C@@H](C(=O)N[C@H]([C@H](C)OC(=O)NC1=NC(=O)N(C=C1)[C@H]2C(=C)[C@@H]([C@H](O2)CO)O)C(=O)O)N
InChI: InChI=1S/C21H31N5O9S/c1-4-36-8-6-12(22)17(29)25-15(19(30)31)11(3)34-21(33)24-14-5-7-26(20(32)23-14)18-10(2)16(28)13(9-27)35-18/h5,7,11-13,15-16,18,27-28H,2,4,6,8-9,22H2,1,3H3,(H,25,29)(H,30,31)(H,23,24,32,33)/t11-,12-,13+,15+,16-,18+/m0/s1
SMILES: CCOP(=O)(C(C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)OCOC)OCOC)OCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)OCC
InChI: InChI=1S/C30H44NO11P/c1-6-40-43(33,41-7-2)25(31-29(32)23-16-12-9-13-17-23)18-24-26(37-19-22-14-10-8-11-15-22)27(38-20-34-3)28(39-21-35-4)30(36-5)42-24/h8-17,24-28,30H,6-7,18-21H2,1-5H3,(H,31,32)/t24-,25?,26-,27+,28-,30+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)CCCC(=O)O)C5=C(C=C(C=C5)OC)O
InChI: InChI=1S/C28H27NO8/c1-13-10-20(30)19-12-18-15(23(25(19)26(13)34)16-6-5-14(37-2)11-21(16)31)7-8-17-24(18)28(36)29(27(17)35)9-3-4-22(32)33/h5-7,10-11,17-18,23-24,31H,3-4,8-9,12H2,1-2H3,(H,32,33)/t17-,18+,23+,24-/m0/s1
SMILES: CC(=O)[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@@H]([C@@H]3C(=O)C[C@H]2C1)CCC4=O)C)C
InChI: InChI=1S/C21H30O3/c1-12(22)13-6-8-20(2)14(10-13)11-17(23)19-15-4-5-18(24)21(15,3)9-7-16(19)20/h13-16,19H,4-11H2,1-3H3/t13-,14+,15+,16-,19-,20-,21-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)NC3(N2C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20-16-6-2-1-5-15(16)19(24)23(20)18-8-4-3-7-17(18)22-20/h1-2,5-6,9-12,17-18,22H,3-4,7-8H2/t17-,18+,20?/m1/s1
SMILES: COC(=O)[C@@]1(C[C@@H]([C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2)OS(=O)(=O)C)CC=C)OS(=O)(=O)C
InChI: InChI=1S/C20H26O10S2/c1-5-9-15-12-20(19(22)27-2,30-32(4,25)26)13-16(17(15)29-31(3,23)24)28-18(21)14-10-7-6-8-11-14/h5-8,10-11,15-17H,1,9,12-13H2,2-4H3/t15-,16+,17+,20-/m0/s1
SMILES: C[C@H]1CCC[C@](/C=C\C[C@@]2([C@H](O2)C[C@@H]3[C@H]([C@@H]1OC(=O)C)OC(=O)C3=C)C)(C)O
InChI: InChI=1S/C22H32O6/c1-13-8-6-9-21(4,25)10-7-11-22(5)17(28-22)12-16-14(2)20(24)27-19(16)18(13)26-15(3)23/h7,10,13,16-19,25H,2,6,8-9,11-12H2,1,3-5H3/b10-7-/t13-,16-,17+,18+,19+,21-,22+/m0/s1
SMILES: CC(C)(C)OC(=O)NCCSCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C18H35NO8S/c1-18(2,3)27-17(24)19-7-10-28-9-6-4-5-8-25-16-15(23)14(22)13(21)12(11-20)26-16/h12-16,20-23H,4-11H2,1-3H3,(H,19,24)/t12-,13-,14+,15-,16-/m1/s1
SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C21H20O12/c22-6-14-17(27)19(29)20(30)21(33-14)32-13-5-12-15(18(28)16(13)26)10(25)4-11(31-12)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21?/m1/s1
SMILES: CSC1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=C(C=C5)Cl
InChI: InChI=1S/C24H19ClN2O3S/c1-31-19-13-7-15(8-14-19)21-20-22(30-27(21)18-11-9-16(25)10-12-18)24(29)26(23(20)28)17-5-3-2-4-6-17/h2-14,20-22H,1H3/t20-,21+,22-/m0/s1
SMILES: CC1(O[C@@H]2C=C([C@H]([C@H]([C@@H]2O1)OC/C=C/C3=CC=CC=C3)OC/C=C/C4=CC=CC=C4)Br)C
InChI: InChI=1S/C27H29BrO4/c1-27(2)31-23-19-22(28)24(29-17-9-15-20-11-5-3-6-12-20)26(25(23)32-27)30-18-10-16-21-13-7-4-8-14-21/h3-16,19,23-26H,17-18H2,1-2H3/b15-9+,16-10+/t23-,24-,25-,26-/m1/s1
SMILES: C1C2=C3C4=C(C=CC(=C4)F)N(C3=C5C(=C2C(=O)N1)C6=C(N5)C=CC(=C6)F)C7[C@@H]([C@H]([C@@H]([C@H](O7)CO)F)O)O
InChI: InChI=1S/C26H20F3N3O5/c27-9-1-3-14-11(5-9)18-19-13(7-30-25(19)36)17-12-6-10(28)2-4-15(12)32(22(17)21(18)31-14)26-24(35)23(34)20(29)16(8-33)37-26/h1-6,16,20,23-24,26,31,33-35H,7-8H2,(H,30,36)/t16-,20-,23+,24-,26?/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1CCN2[C@]1(CCC2=O)O
InChI: InChI=1S/C17H33NO3Si/c1-12(2)22(13(3)4,14(5)6)21-11-15-8-10-18-16(19)7-9-17(15,18)20/h12-15,20H,7-11H2,1-6H3/t15-,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)CN5C(=O)C6=CC=CC=C6C5=O)CN7CCC8=CC(=C(C=C8C7)OC)OC
InChI: InChI=1S/C45H44N2O7/c1-28-41(26-46-19-18-34-22-39(51-2)40(52-3)23-36(34)25-46)53-45(54-42(28)31-16-14-29(27-48)15-17-31)35-11-7-10-33(21-35)32-9-6-8-30(20-32)24-47-43(49)37-12-4-5-13-38(37)44(47)50/h4-17,20-23,28,41-42,45,48H,18-19,24-27H2,1-3H3/t28-,41+,42+,45+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CC5=C(C=CC=N5)C=C4)C)C)NC(=O)O2)C
InChI: InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)22-41(7,51-19-13-14-28-16-17-29-15-12-18-43-30(29)21-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)20-24(3)52-39/h12-18,21,23-27,31-32,35-37,39,48H,11,19-20,22H2,1-10H3,(H,44,50)/b14-13+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1
SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O)O
InChI: InChI=1S/C27H30O16/c28-6-15-19(33)23(37)25(39)27(43-15)40-7-16-20(34)22(36)24(38)26(42-16)18-12(32)5-14-17(21(18)35)11(31)4-13(41-14)8-1-2-9(29)10(30)3-8/h1-5,15-16,19-20,22-30,32-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H](N2C(=O)OC(C)(C)C)C3=CC=CC=C3
InChI: InChI=1S/C21H25NO5S/c1-15-10-12-17(13-11-15)28(24,25)26-14-18-19(16-8-6-5-7-9-16)22(18)20(23)27-21(2,3)4/h5-13,18-19H,14H2,1-4H3/t18-,19-,22?/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NC(=C3C4=C(CCCC4)SC3=N2)N
InChI: InChI=1S/C19H26N4OS2/c1-11-6-2-4-8-13(11)21-15(24)10-25-19-22-17(20)16-12-7-3-5-9-14(12)26-18(16)23-19/h11,13H,2-10H2,1H3,(H,21,24)(H2,20,22,23)/t11-,13+/m1/s1
SMILES: CC(=O)OCC1=C[C@H]2CC([C@@H]([C@H]2[C@@]1(C)C(=O)CCl)OC(=O)C)(C)C
InChI: InChI=1S/C18H25ClO5/c1-10(20)23-9-13-6-12-7-17(3,4)16(24-11(2)21)15(12)18(13,5)14(22)8-19/h6,12,15-16H,7-9H2,1-5H3/t12-,15-,16+,18+/m0/s1
SMILES: C[C@@H]1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4Cl
InChI: InChI=1S/C21H18ClNO3/c1-13-5-4-6-16-19(13)21(25)23(20(16)24)14-9-11-15(12-10-14)26-18-8-3-2-7-17(18)22/h2-5,7-13,16,19H,6H2,1H3/t13-,16+,19-/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)N)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)N
InChI: InChI=1S/C12H24N2O5/c13-6-3-1-2-4-7(6)18-12-9(14)11(17)10(16)8(5-15)19-12/h6-12,15-17H,1-5,13-14H2/t6-,7-,8-,9-,10-,11-,12-/m0/s1