EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CCCC(CC1)(C#CC2=CC3=C(C=C2)NC(=O)[C@]34[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N9CCN(CC9)C1=NC=CC=N1)O
InChI: InChI=1S/C50H48N6O6/c57-37-19-17-36(18-20-37)44-50(38-32-33(16-21-39(38)53-47(50)60)22-25-49(61)23-9-1-2-10-24-49)40(45(58)54-28-30-55(31-29-54)48-51-26-11-27-52-48)42-46(59)62-43(35-14-7-4-8-15-35)41(56(42)44)34-12-5-3-6-13-34/h3-8,11-21,26-27,32,40-44,57,61H,1-2,9-10,23-24,28-31H2,(H,53,60)/t40-,41-,42-,43+,44+,50-/m0/s1
SMILES: CCCC(=O)O[C@H]1[C@@H]([C@@H](O[C@@H]([C@H]1OC)C)OCC23[C@@H]4[C@@H](CC[C@H]4C5(C2(C(=CC3C5)C(C)C)C(=O)O)C=O)C)O
InChI: InChI=1S/C30H44O9/c1-7-8-21(32)39-25-23(33)26(38-17(5)24(25)36-6)37-14-29-18-11-20(15(2)3)30(29,27(34)35)28(12-18,13-31)19-10-9-16(4)22(19)29/h11,13,15-19,22-26,33H,7-10,12,14H2,1-6H3,(H,34,35)/t16-,17-,18?,19-,22-,23+,24-,25+,26-,28?,29?,30?/m1/s1
SMILES: C1C=C([C@H]([C@@H]1C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H15NO2/c19-18(20)16-12-11-15(13-7-3-1-4-8-13)17(16)14-9-5-2-6-10-14/h1-10,12,15,17H,11H2/t15-,17-/m0/s1
SMILES: CN(C)C(=O)COC1=C(C=C2[C@H]3C[C@H]([C@@H](CN3CCC2=C1)C4=CC=CC=C4)N)OC
InChI: InChI=1S/C24H31N3O3/c1-26(2)24(28)15-30-23-11-17-9-10-27-14-19(16-7-5-4-6-8-16)20(25)13-21(27)18(17)12-22(23)29-3/h4-8,11-12,19-21H,9-10,13-15,25H2,1-3H3/t19-,20+,21+/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C3=CC[C@@]4(C(=O)CO)O)C
InChI: InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h7,11,15-16,22,25H,3-6,8-10,12H2,1-2H3/t15-,16+,19+,20-,21+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](CC4=C(C5=C(C=C24)OCO5)O)COC3=O
InChI: InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16-,17+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)CNS(=O)(=O)C5=CC=CC=C5)CSC6=NC=CN6C
InChI: InChI=1S/C36H37N3O5S2/c1-25-33(24-45-36-37-19-20-39(36)2)43-35(44-34(25)29-13-11-26(23-40)12-14-29)30-17-15-28(16-18-30)31-8-6-7-27(21-31)22-38-46(41,42)32-9-4-3-5-10-32/h3-21,25,33-35,38,40H,22-24H2,1-2H3/t25-,33+,34+,35+/m1/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(=O)C4)SC(=S)N5CCCCC5)C)C
InChI: InChI=1S/C33H55NOS2/c1-22(2)10-9-11-23(3)26-14-15-27-25-13-12-24-20-29(35)30(37-31(36)34-18-7-6-8-19-34)21-33(24,5)28(25)16-17-32(26,27)4/h22-28,30H,6-21H2,1-5H3/t23-,24+,25+,26-,27+,28+,30?,32-,33+/m1/s1
SMILES: CC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1O[C@@H](OC2)C3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)C
InChI: InChI=1S/C25H29NO8/c1-15(23(28)29)32-22-20(26-16(2)27)25(30-13-17-9-5-3-6-10-17)33-19-14-31-24(34-21(19)22)18-11-7-4-8-12-18/h3-12,15,19-22,24-25H,13-14H2,1-2H3,(H,26,27)(H,28,29)/t15?,19-,20-,21-,22-,24-,25+/m1/s1
SMILES: CC(=O)OC[C@H]1C[C@@H]([C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H24O10/c1-8(18)23-7-13-6-14(24-9(2)19)16(26-11(4)21)17(27-12(5)22)15(13)25-10(3)20/h13-17H,6-7H2,1-5H3/t13-,14+,15+,16-,17+/m1/s1
SMILES: CN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2C3=CC=C(C=C3)F)(CC4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C22H21FN2O4/c1-25-19(26)16-17(20(25)27)22(21(28)29-2,12-13-6-4-3-5-7-13)24-18(16)14-8-10-15(23)11-9-14/h3-11,16-18,24H,12H2,1-2H3/p+1/t16-,17+,18+,22-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCC1=CC=CC=C1)[C@@H]2[C@H](N(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C33H39N3O5/c1-33(2,3)41-32(39)35-27(20-13-21-34-31(38)40-23-25-16-9-5-10-17-25)28-29(26-18-11-6-12-19-26)36(30(28)37)22-24-14-7-4-8-15-24/h4-12,14-19,27-29H,13,20-23H2,1-3H3,(H,34,38)(H,35,39)/t27-,28+,29+/m0/s1
SMILES: CC(C)CN[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC3=NC=CC(=N3)C4=CC(=CC=C4)F
InChI: InChI=1S/C20H25FN4O2/c1-12(2)9-23-16-10-26-19-17(11-27-18(16)19)25-20-22-7-6-15(24-20)13-4-3-5-14(21)8-13/h3-8,12,16-19,23H,9-11H2,1-2H3,(H,22,24,25)/t16-,17-,18+,19+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)Cl)CBr)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C34H26BrCl2N3O8/c35-17-38-31(44)33(36)15-25-22(12-13-24-27(25)30(43)39(29(24)42)19-6-8-20(9-7-19)40(46)47)28(34(33,37)32(38)45)23-11-10-21(14-26(23)41)48-16-18-4-2-1-3-5-18/h1-12,14,24-25,27-28,41H,13,15-17H2/t24-,25+,27-,28+,33+,34-/m0/s1
SMILES: CN(CC#CC1=CC2=C(C=C1)N(C(=O)[C@]23[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC8=CC=C(C=C8)N9CCOCC9)C(=O)OCCOC)CC1=CC=CC=C1
InChI: InChI=1S/C60H59N5O10/c1-62(40-42-14-6-3-7-15-42)29-13-16-41-23-28-50-49(38-41)60(58(69)64(50)59(70)74-37-36-71-2)51(56(67)61-46-24-26-47(27-25-46)63-30-33-72-34-31-63)53-57(68)75-54(44-19-10-5-11-20-44)52(43-17-8-4-9-18-43)65(53)55(60)45-21-12-22-48(39-45)73-35-32-66/h3-12,14-15,17-28,38-39,51-55,66H,29-37,40H2,1-2H3,(H,61,67)/t51-,52-,53-,54+,55+,60-/m0/s1
SMILES: C1=CC(=CC2=C1C=CC3=C2C(=CC4=C3[C@@H]([C@H](O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)O)O
InChI: InChI=1S/C28H20O6/c29-17-5-2-15(3-6-17)28-25(16-9-19(31)11-20(32)10-16)27-21-8-4-14-1-7-18(30)12-22(14)26(21)23(33)13-24(27)34-28/h1-13,25,28-33H/t25-,28+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C(C(C(=O)NC2=O)Cl)N=[N+]=[N-])CO)O
InChI: InChI=1S/C9H12ClN5O5/c10-6-7(13-14-11)15(9(19)12-8(6)18)5-1-3(17)4(2-16)20-5/h3-7,16-17H,1-2H2,(H,12,18,19)/t3-,4+,5+,6?,7?/m0/s1
SMILES: CC[C@@]12[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)Br)[C@@](C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)CC
InChI: InChI=1S/C31H26BrNO3/c1-3-30-23(19-12-7-5-8-13-19)24(20-14-9-6-10-15-20)31(4-2,29(30)36)26-25(30)27(34)33(28(26)35)22-17-11-16-21(32)18-22/h5-18,25-26H,3-4H2,1-2H3/t25-,26+,30-,31+
SMILES: CCCCOC[C@@]1([C@@]([C@H]2C[C@@]3([C@@]1([C@H](C[C@H]3C)OC(=O)C)O)CC(=O)O2)(C)O)C
InChI: InChI=1S/C21H34O7/c1-6-7-8-26-12-18(4)19(5,24)16-10-20(11-17(23)28-16)13(2)9-15(21(18,20)25)27-14(3)22/h13,15-16,24-25H,6-12H2,1-5H3/t13-,15+,16-,18-,19+,20-,21+/m1/s1
SMILES: C[C@@]12CC[C@@](CC1=O)([C@@H]([C@H]2[C@H]3COC(O3)(C)C)C(=O)OC)OCOC
InChI: InChI=1S/C18H28O7/c1-16(2)23-9-11(25-16)13-14(15(20)22-5)18(24-10-21-4)7-6-17(13,3)12(19)8-18/h11,13-14H,6-10H2,1-5H3/t11-,13-,14+,17-,18-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C36H30ClFN2O10/c1-36-22(32(44)40(35(36)48)16-5-9-24(38)23(37)12-16)14-21-18(29(36)15-10-26(49-2)30(42)27(11-15)50-3)7-8-20-28(21)33(45)39(31(20)43)17-4-6-19(34(46)47)25(41)13-17/h4-7,9-13,20-22,28-29,41-42H,8,14H2,1-3H3,(H,46,47)/t20-,21+,22-,28-,29-,36+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CN2C(=O)CCOC3=CC=CC=C32
InChI: InChI=1S/C21H27N3O6/c1-14-6-2-3-7-15(14)22-21(28)23-18(25)13-30-20(27)12-24-16-8-4-5-9-17(16)29-11-10-19(24)26/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H2,22,23,25,28)/t14-,15+/m1/s1
SMILES: CC1=CC(=C(C=C1)C)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)NC3=CC=C(C=C3)Br
InChI: InChI=1S/C20H20BrN3O2/c1-11-4-5-12(2)16(10-11)18-17(13(3)22-20(26)24-18)19(25)23-15-8-6-14(21)7-9-15/h4-10,17-18H,3H2,1-2H3,(H,23,25)(H2,22,24,26)/t17-,18+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H]([C@@H]2C(=O)O)[C@@H](C(=O)O)N
InChI: InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9-,10+/m1/s1
SMILES: C1CSC(=C(C(=O)[C@H]2C[C@@H]2C3=CC=CC=C3)C(=O)[O-])S1
InChI: InChI=1S/C15H14O3S2/c16-13(12(14(17)18)15-19-6-7-20-15)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,17,18)/p-1/t10-,11+/m1/s1
SMILES: CCOC(=O)C([C@@H]([C@@H](CC(=O)O)SC1=CC=CC=C1)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)OC
InChI: InChI=1S/C25H38O6S/c1-6-30-25(28)24(29-5)23(31-20-14-17(4)12-13-19(20)16(2)3)21(15-22(26)27)32-18-10-8-7-9-11-18/h7-11,16-17,19-21,23-24H,6,12-15H2,1-5H3,(H,26,27)/t17-,19+,20-,21-,23-,24?/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C(=C(C(=O)NC3=O)I)CC=C)CI)C
InChI: InChI=1S/C15H18I2N2O5/c1-4-5-7-9(17)12(20)18-14(21)19(7)13-11-10(8(6-16)22-13)23-15(2,3)24-11/h4,8,10-11,13H,1,5-6H2,2-3H3,(H,18,20,21)/t8-,10-,11-,13-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3[C@@H]([C@H](C(=O)N3C2(C)C)CSC4=CC=CC=C4)C(=C)C
InChI: InChI=1S/C24H33NO2S/c1-15(2)21-18(14-28-17-9-7-6-8-10-17)22(26)25-23(21)27-20-13-16(3)11-12-19(20)24(25,4)5/h6-10,16,18-21,23H,1,11-14H2,2-5H3/t16-,18-,19-,20-,21-,23+/m1/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)N(C(=O)C[NH+]2CC3=CC=C(C=C3)F)C4=CC=CC=C4
InChI: InChI=1S/C19H19FN2O3S/c20-15-8-6-14(7-9-15)10-21-11-19(23)22(16-4-2-1-3-5-16)18-13-26(24,25)12-17(18)21/h1-9,17-18H,10-13H2/p+1/t17-,18-/m1/s1
SMILES: C[C@]12CC[C@H](C[C@]1(CC[C@@H]2/C=N/OCCN(C)C)O)CC3CCCCC3
InChI: InChI=1S/C22H40N2O2/c1-21-11-9-19(15-18-7-5-4-6-8-18)16-22(21,25)12-10-20(21)17-23-26-14-13-24(2)3/h17-20,25H,4-16H2,1-3H3/b23-17+/t19-,20+,21+,22-/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)N(C)CC4=CC=CC=C4)N=C(S3)NC(=O)N5CCOCC5)(C)CO)O
InChI: InChI=1S/C29H40N4O5S/c1-28-10-9-23(35)29(2,18-34)22(28)16-21-25(30-26(39-21)31-27(37)33-11-13-38-14-12-33)20(28)15-24(36)32(3)17-19-7-5-4-6-8-19/h4-8,20,22-23,34-35H,9-18H2,1-3H3,(H,30,31,37)/t20-,22+,23-,28+,29+/m1/s1
SMILES: C[C@@H]1[C@H](CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F)N
InChI: InChI=1S/C20H17F2N3O3/c1-10-16(23)9-24(10)18-7-17-13(6-15(18)22)19(26)14(20(27)28)8-25(17)12-4-2-11(21)3-5-12/h2-8,10,16H,9,23H2,1H3,(H,27,28)/t10-,16+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC=C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C42H50O14/c1-5-21-48-40-37(51-24-32-19-13-8-14-20-32)35(50-23-31-17-11-7-12-18-31)33(25-47-22-30-15-9-6-10-16-30)55-42(40)56-39-38(53-29(4)45)36(52-28(3)44)34(54-41(39)46)26-49-27(2)43/h5-20,33-42,46H,1,21-26H2,2-4H3/t33-,34-,35-,36-,37+,38+,39-,40-,41?,42-/m1/s1
SMILES: CC/C=C(\C)/[C@H]1[C@@]2(C(=N)O[C@@]3(O1)CCCC[C@@H]3C2(C#N)C#N)C#N
InChI: InChI=1S/C18H20N4O2/c1-3-6-12(2)14-17(11-21)15(22)24-18(23-14)8-5-4-7-13(18)16(17,9-19)10-20/h6,13-14,22H,3-5,7-8H2,1-2H3/b12-6+,22-15?/t13-,14+,17-,18+/m1/s1
SMILES: CC(=O)[C@H]1[C@@H]2CC[C@H]3[C@@H]([C@@H]2CO1)C(=O)N(C3=O)C4=CC=CC=C4
InChI: InChI=1S/C18H19NO4/c1-10(20)16-12-7-8-13-15(14(12)9-23-16)18(22)19(17(13)21)11-5-3-2-4-6-11/h2-6,12-16H,7-9H2,1H3/t12-,13+,14-,15+,16+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)OC3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N
InChI: InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21?,22-,23?/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H](C=C)O)OCC3=CC=C(C=C3)OC)C
InChI: InChI=1S/C18H24O6/c1-5-13(19)14-15(16-17(22-14)24-18(2,3)23-16)21-10-11-6-8-12(20-4)9-7-11/h5-9,13-17,19H,1,10H2,2-4H3/t13-,14+,15-,16+,17+/m0/s1
SMILES: C[C@H]([C@]1([C@@H]2N(C1=O)C(=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Br)O
InChI: InChI=1S/C15H13BrN2O6S/c1-8(19)15(16)13(21)17-11(7-25-14(15)17)12(20)24-6-9-2-4-10(5-3-9)18(22)23/h2-5,7-8,14,19H,6H2,1H3/t8-,14-,15+/m1/s1
SMILES: C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H18ClFN2O5/c1-10(17(25)22-15-7-6-11(21)8-14(15)20)28-16(24)9-23-18(26)12-4-2-3-5-13(12)19(23)27/h2-3,6-8,10,12-13H,4-5,9H2,1H3,(H,22,25)/t10-,12-,13+/m0/s1
SMILES: C[C@]12CCC[C@@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)[C@H]4C[NH+]5CCSCC5)CO3
InChI: InChI=1S/C19H29NO3S/c1-18-3-2-4-19(12-22-19)16(18)9-13-14(17(21)23-15(13)10-18)11-20-5-7-24-8-6-20/h13-16H,2-12H2,1H3/p+1/t13-,14+,15-,16-,18-,19+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3[C@H]2[C@@H]([C@H](C4=C(C=C(C=C4OCC5=CC=CC=C5)COCOCC6=CC=CC=C6)N(C3)C(=O)OCC=C)CO)O
InChI: InChI=1S/C39H42N2O9S/c1-3-18-49-39(44)40-21-34-37(41(34)51(45,46)31-16-14-27(2)15-17-31)38(43)32(22-42)36-33(40)19-30(20-35(36)50-25-29-12-8-5-9-13-29)24-48-26-47-23-28-10-6-4-7-11-28/h3-17,19-20,32,34,37-38,42-43H,1,18,21-26H2,2H3/t32-,34-,37-,38+,41?/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC(=O)NCC3=CC=CO3
InChI: InChI=1S/C21H29N3O6/c1-13-5-3-7-17(14(13)2)24-11-15(9-19(24)26)20(27)30-12-18(25)23-21(28)22-10-16-6-4-8-29-16/h4,6,8,13-15,17H,3,5,7,9-12H2,1-2H3,(H2,22,23,25,28)/t13-,14+,15+,17+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]2[C@H]1C(=O)/C(=C/CCCC(=O)O)/O2)O)O.C[C@@H]([C@@H](C1=CC=CC=C1)O)NC
InChI: InChI=1S/C20H30O6.C10H15NO/c1-2-3-4-7-13(21)10-11-14-15(22)12-17-19(14)20(25)16(26-17)8-5-6-9-18(23)24;1-8(11-2)10(12)9-6-4-3-5-7-9/h8,10-11,13-15,17,19,21-22H,2-7,9,12H2,1H3,(H,23,24);3-8,10-12H,1-2H3/b11-10+,16-8-;/t13-,14-,15+,17+,19-;8-,10-/m00/s1
SMILES: CCOC(=O)/C=C\[C@H]1[C@@H](OC(O1)(C)C)CCCCC[C@@H](C)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C33H48O5Si/c1-8-35-31(34)25-24-30-29(36-33(6,7)37-30)23-17-9-12-18-26(2)38-39(32(3,4)5,27-19-13-10-14-20-27)28-21-15-11-16-22-28/h10-11,13-16,19-22,24-26,29-30H,8-9,12,17-18,23H2,1-7H3/b25-24-/t26-,29+,30+/m1/s1
SMILES: CC(=O)NC1=CC=CC=C1C(=O)O[C@H]2C[C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H25NO10/c1-11(23)22-16-8-6-5-7-15(16)21(27)32-19-9-17(29-13(3)25)20(30-14(4)26)18(31-19)10-28-12(2)24/h5-8,17-20H,9-10H2,1-4H3,(H,22,23)/t17-,18-,19+,20+/m1/s1
SMILES: C[C@H](CC[C@@H]([C@@]1(CO1)C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C27H42O4/c1-17(7-12-25(30)27(4)16-31-27)22-10-11-23-19(6-5-13-26(22,23)3)8-9-20-14-21(28)15-24(29)18(20)2/h8-9,17,21-25,28-30H,2,5-7,10-16H2,1,3-4H3/b19-8+,20-9-/t17-,21-,22-,23+,24+,25+,26-,27+/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)CN=C(N)N)OCCC2=CC=CC=C2)COCC3=CC=C(C=C3)C4=CC=CC=C4)O
InChI: InChI=1S/C31H38N4O6/c1-38-29-27(35-26(36)18-34-31(32)33)30(40-17-16-21-8-4-2-5-9-21)41-25(28(29)37)20-39-19-22-12-14-24(15-13-22)23-10-6-3-7-11-23/h2-15,25,27-30,37H,16-20H2,1H3,(H,35,36)(H4,32,33,34)/t25-,27-,28-,29-,30?/m1/s1
SMILES: CCOC(=O)C(C[C@@H]1O[C@@H]2CCCC[C@]2(C(O1)(C)C)C)(CC(=C)Br)C(=O)OCC
InChI: InChI=1S/C22H35BrO6/c1-7-26-18(24)22(13-15(3)23,19(25)27-8-2)14-17-28-16-11-9-10-12-21(16,6)20(4,5)29-17/h16-17H,3,7-14H2,1-2,4-6H3/t16-,17-,21-/m1/s1
SMILES: C[C@]1(CC[C@@H]2C(=C1)[C@H](C[C@H]3[C@]2(CCC(=O)C3(C)C)C)O)C=C
InChI: InChI=1S/C20H30O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14-16,21H,1,7-11H2,2-5H3/t14-,15+,16-,19-,20+/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N\NC(=O)C6=CC=CC=C6)/C)O)N)O
InChI: InChI=1S/C34H35N3O10/c1-15-28(38)20(35)12-23(46-15)47-22-14-34(44,16(2)36-37-33(43)17-8-5-4-6-9-17)13-19-25(22)32(42)27-26(30(19)40)29(39)18-10-7-11-21(45-3)24(18)31(27)41/h4-11,15,20,22-23,28,38,40,42,44H,12-14,35H2,1-3H3,(H,37,43)/b36-16-/t15-,20-,22-,23-,28+,34-/m0/s1
SMILES: C[C@H](C/C=C/C(C)C)[C@H]1C=C[C@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C
InChI: InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h8-9,12-13,19-20,22-23,25-26,30H,10-11,14-18H2,1-7H3/b9-8+/t20-,22-,23-,25+,26+,28-,29-/m1/s1
SMILES: C[C@H](CCC(=O)O)[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/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17-,18+,19-,20+,21+,23+,24-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OC(=O)C1NC(=O)OCC2=CC=CC=C2)CO
InChI: InChI=1S/C19H29NO6Si/c1-19(2,3)27(4,5)26-16-14(11-21)25-17(22)15(16)20-18(23)24-12-13-9-7-6-8-10-13/h6-10,14-16,21H,11-12H2,1-5H3,(H,20,23)/t14-,15?,16-/m1/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)OCC4=CC(=C(C=C4)Cl)[N+](=O)[O-])CO)O)O)OC(O1)C5=CC=CC=C5
InChI: InChI=1S/C26H30ClNO13/c27-14-7-6-12(8-15(14)28(34)35)10-36-25-20(32)18(30)22(16(9-29)38-25)41-26-21(33)19(31)23-17(39-26)11-37-24(40-23)13-4-2-1-3-5-13/h1-8,16-26,29-33H,9-11H2/t16-,17-,18-,19-,20-,21-,22-,23-,24?,25-,26-/m1/s1
SMILES: CO[C@H]1[C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@@H]([C@@H]1OC)OC
InChI: InChI=1S/C16H22O6/c1-17-13-12-11(21-16(19-3)14(13)18-2)9-20-15(22-12)10-7-5-4-6-8-10/h4-8,11-16H,9H2,1-3H3/t11-,12-,13+,14-,15-,16+/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)SC)OCC2=CC=CC=C2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC)NC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC)OC(=O)C)OC(=O)C
InChI: InChI=1S/C39H55NO19S/c1-18-27(57-38-34(55-23(6)45)32(54-22(5)44)30(48-8)33(59-38)36(46)49-9)31(35(39(52-18)60-10)51-16-24-14-12-11-13-15-24)58-37-26(40-19(2)41)29(47-7)28(53-21(4)43)25(56-37)17-50-20(3)42/h11-15,18,25-35,37-39H,16-17H2,1-10H3,(H,40,41)/t18-,25+,26+,27+,28-,29+,30-,31+,32-,33-,34+,35-,37+,38+,39-/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(C[C@H]([C@@H]([C@H]4OS(=O)(=O)O)O)O)C)C)[C@H]5[C@@H](O5)CC(C)C
InChI: InChI=1S/C27H44O7S/c1-14(2)12-22-24(33-22)15(3)17-8-9-18-16-6-7-20-25(34-35(30,31)32)23(29)21(28)13-27(20,5)19(16)10-11-26(17,18)4/h6,14-15,17-25,28-29H,7-13H2,1-5H3,(H,30,31,32)/t15-,17+,18-,19-,20?,21+,22-,23-,24-,25-,26+,27+/m0/s1
SMILES: C[C@H](CC[C@H](C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@@H]4[C@@]3(CC[C@H](C4)NCCCNCCCCNCCCN)C)O)C
InChI: InChI=1S/C37H72N4O2/c1-26(2)33(42)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-34(35)43)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-43H,6-25,38H2,1-5H3/t27-,28-,29-,30-,31+,32+,33-,34+,35+,36+,37-/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O
InChI: InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21?,22+,23-,24+,27-,28+,29+,30-/m0/s1
SMILES: CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@H](C2[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: C1C[C@@H]([C@H]([C@@H](C1)O)N=[N+]=[N-])COCC2=CC=CC=C2
InChI: InChI=1S/C14H19N3O2/c15-17-16-14-12(7-4-8-13(14)18)10-19-9-11-5-2-1-3-6-11/h1-3,5-6,12-14,18H,4,7-10H2/t12-,13-,14-/m1/s1
SMILES: C[C@H](C/C=C\C([C@@H]1[C@@H](OC(O1)(C)C)CC#C[Si](C)(C)C)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H44O4Si2/c1-18(27-29(10,11)22(2,3)4)14-12-15-19(24)21-20(25-23(5,6)26-21)16-13-17-28(7,8)9/h12,15,18-21,24H,14,16H2,1-11H3/b15-12-/t18-,19?,20+,21-/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O
InChI: InChI=1S/C19H27N7O21P4/c20-15-10-16(22-5-21-15)26(6-23-10)18-14(31)12(29)8(44-18)4-42-49(35,36)46-51(39,40)47-50(37,38)45-48(33,34)41-3-7-11(28)13(30)17(43-7)25-2-1-9(27)24-19(25)32/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,20,21,22)(H,24,27,32)/t7-,8-,11-,12-,13-,14-,17+,18-/m1/s1
SMILES: C1OCCOCCO[C@H]([C@@H](OCCOCCOC1)C(=O)OCCCSC2C(=O)OCCOCCOCCOC(=O)/C=C\C(=O)OCCOCCOCCOC(=O)C2)C(=O)OCCCSC3C(=O)OCCOCCOCCOC(=O)/C=C\C(=O)OCCOCCOCCOC(=O)C3
InChI: InChI=1S/C60H92O34S2/c61-49-3-5-51(63)85-35-25-75-19-21-81-31-41-93-57(67)47(45-53(65)87-37-27-77-17-15-73-23-33-83-49)95-43-1-7-91-59(69)55-56(90-40-30-80-14-12-72-10-9-71-11-13-79-29-39-89-55)60(70)92-8-2-44-96-48-46-54(66)88-38-28-78-18-16-74-24-34-84-50(62)4-6-52(64)86-36-26-76-20-22-82-32-42-94-58(48)68/h3-6,47-48,55-56H,1-2,7-46H2/b5-3-,6-4-/t47?,48?,55-,56-/m1/s1
SMILES: C[C@H]1C=CC2=CCCC[C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(=O)O3)O
InChI: InChI=1S/C18H26O3/c1-12-6-7-13-4-2-3-5-17(13)16(12)9-8-15-10-14(19)11-18(20)21-15/h4,6-7,12,14-17,19H,2-3,5,8-11H2,1H3/t12-,14+,15+,16-,17-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)SC2=CC=CC=C2)OCC[Si](C)(C)C)CBr
InChI: InChI=1S/C19H29BrO5SSi/c1-13(21)24-17-15(12-20)25-19(23-10-11-27(2,3)4)18(16(17)22)26-14-8-6-5-7-9-14/h5-9,15-19,22H,10-12H2,1-4H3/t15-,16+,17-,18-,19-/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)[C@H]3CCCC[C@H]3C(=O)O
InChI: InChI=1S/C24H28N2O4/c1-15(2)16-11-13-17(14-12-16)25-23(28)20-9-5-6-10-21(20)26-22(27)18-7-3-4-8-19(18)24(29)30/h5-6,9-15,18-19H,3-4,7-8H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)/t18-,19+/m0/s1
SMILES: CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)OC
InChI: InChI=1S/C21H28ClNO5/c1-4-27-21-16(22)11-15(12-18(21)26-3)9-10-20(25)28-13-19(24)23-17-8-6-5-7-14(17)2/h9-12,14,17H,4-8,13H2,1-3H3,(H,23,24)/b10-9+/t14-,17-/m1/s1
SMILES: C1CC1[C@H]2CNC(=O)N([C@@H]2C3=CC(=C(C=C3)F)F)C(=O)NCCCN4CCC(CC4)C5=CC=C(C=C5)F
InChI: InChI=1S/C28H33F3N4O2/c29-22-7-4-18(5-8-22)19-10-14-34(15-11-19)13-1-12-32-27(36)35-26(21-6-9-24(30)25(31)16-21)23(20-2-3-20)17-33-28(35)37/h4-9,16,19-20,23,26H,1-3,10-15,17H2,(H,32,36)(H,33,37)/t23-,26-/m1/s1
SMILES: CC1=CC=CC=C1OC2=CC=C(C=C2)N3C(=O)[C@H]4[C@H]5C[C@@H]([C@]4(C3=O)C)C=C5
InChI: InChI=1S/C23H21NO3/c1-14-5-3-4-6-19(14)27-18-11-9-17(10-12-18)24-21(25)20-15-7-8-16(13-15)23(20,2)22(24)26/h3-12,15-16,20H,13H2,1-2H3/t15-,16+,20-,23-/m1/s1
SMILES: CC(C)C[C@H]1[C@@H]([C@H](N[C@@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)P(=O)(O)O)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI: InChI=1S/C32H36N3O8P/c1-18(2)16-24-21(14-15-35-30(37)22-12-6-10-20-11-7-13-23(26(20)22)31(35)38)29(44(41,42)43)34-27(24)28(36)33-25(32(39)40)17-19-8-4-3-5-9-19/h3-13,18,21,24-25,27,29,34H,14-17H2,1-2H3,(H,33,36)(H,39,40)(H2,41,42,43)/t21-,24-,25-,27-,29+/m0/s1
SMILES: C[C@@H](C1=CC=C(C=C1)OC)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)OCC(C)C
InChI: InChI=1S/C22H27NO5/c1-13(2)11-27-21(25)18-17-9-10-22(28-17)12-23(20(24)19(18)22)14(3)15-5-7-16(26-4)8-6-15/h5-10,13-14,17-19H,11-12H2,1-4H3/t14-,17+,18-,19-,22+/m0/s1
SMILES: CCCC1=C(C2=C(C(=O)[C@@H]([C@H](C2=O)Cl)Cl)C(=C1OC)N)O
InChI: InChI=1S/C14H15Cl2NO4/c1-3-4-5-11(18)7-6(10(17)14(5)21-2)12(19)8(15)9(16)13(7)20/h8-9,18H,3-4,17H2,1-2H3/t8-,9-/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)O[C@@H]2[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)C)O[Si](C(C)C)(C(C)C)C(C)C)COCOC)C
InChI: InChI=1S/C31H52O7Si/c1-19(2)39(20(3)4,21(5)6)38-27-24(9)28(35-16-25-14-12-11-13-15-25)30-29(22(7)23(8)31(32)37-30)36-26(27)17-34-18-33-10/h11-15,19-24,26-30H,16-18H2,1-10H3/t22-,23-,24+,26-,27+,28-,29+,30-/m0/s1
SMILES: CC[C@@H]1C[C@H]2CC[C@H](O2)[C@@H](C(=O)O[C@@H](C[C@H]3CC[C@H](O3)[C@@H](C(=O)O[C@@H](C[C@H]4CC[C@H](O4)[C@@H](C(=O)O1)C)C)C)C)C
InChI: InChI=1S/C31H50O9/c1-7-22-16-25-10-13-27(39-25)20(5)30(33)36-17(2)14-23-8-11-26(37-23)19(4)29(32)35-18(3)15-24-9-12-28(38-24)21(6)31(34)40-22/h17-28H,7-16H2,1-6H3/t17-,18-,19+,20+,21+,22-,23-,24-,25-,26+,27+,28+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4O)O)C
InChI: InChI=1S/C19H28O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h11,14-16,21-22H,3-10H2,1-2H3/t14-,15+,16-,17-,18+,19?/m0/s1
SMILES: C1C(=C(N2[C@@H](S1)[C@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])Cl
InChI: InChI=1S/C15H13ClN2O5S/c16-9-7-24-14-11(13(20)18(14)12(9)15(21)22)17-10(19)6-23-8-4-2-1-3-5-8/h1-5,11,14H,6-7H2,(H,17,19)(H,21,22)/p-1/t11-,14-/m0/s1
SMILES: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)O)C)CO
InChI: InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)23-9(2)19)15(3)13(21)12(20)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17?/m0/s1
SMILES: C1C([C@H]2[C@@H]([C@H]([C@H](O1)O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C27H22O8/c28-24(17-10-4-1-5-11-17)32-20-16-31-27-23(34-26(30)19-14-8-3-9-15-19)22(21(20)35-27)33-25(29)18-12-6-2-7-13-18/h1-15,20-23,27H,16H2/t20?,21-,22-,23+,27+/m0/s1
SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C
InChI: InChI=1S/C20H26O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h7,11,15-17,19H,3-6,8-10H2,1-2H3/t15-,16+,17+,19-,20+/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@H](O2)/C=C\C=C\C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1
InChI: InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C
InChI: InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
SMILES: C[C@@]12CC[C@@]([C@H]3[C@@]1(CN(C3)C(=O)/C=C/C4=CC=CC=C4OC)C(=O)O)(C5=CC=CC=C25)C6=CC=C(C=C6)OC
InChI: InChI=1S/C33H33NO5/c1-31-18-19-32(26-10-6-5-9-25(26)31,23-13-15-24(38-2)16-14-23)28-20-34(21-33(28,31)30(36)37)29(35)17-12-22-8-4-7-11-27(22)39-3/h4-17,28H,18-21H2,1-3H3,(H,36,37)/b17-12+/t28-,31-,32-,33-/m0/s1