EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=C)[C@@H]1CC=C[C@@H]([C@@]1(C)CCC(=O)O)COC2=CC3=C(C=C2)C=CC(=O)O3
InChI: InChI=1S/C23H26O5/c1-15(2)19-6-4-5-17(23(19,3)12-11-21(24)25)14-27-18-9-7-16-8-10-22(26)28-20(16)13-18/h4-5,7-10,13,17,19H,1,6,11-12,14H2,2-3H3,(H,24,25)/t17-,19+,23-/m1/s1
SMILES: CO[C@H]1[C@@H]2CC3=CC(=C(C=C3[C@@H]([C@H]2CO1)C4=CC(=C(C=C4)O)OC)O)OC
InChI: InChI=1S/C21H24O6/c1-24-18-7-11(4-5-16(18)22)20-13-9-17(23)19(25-2)8-12(13)6-14-15(20)10-27-21(14)26-3/h4-5,7-9,14-15,20-23H,6,10H2,1-3H3/t14-,15+,20+,21-/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCCOC)N=C(S3)NC4=C(C=CC(=C4)OC)OC)(C)CO)O
InChI: InChI=1S/C27H39N3O6S/c1-26-9-8-22(32)27(2,15-31)21(26)14-20-24(17(26)13-23(33)28-10-11-34-3)30-25(37-20)29-18-12-16(35-4)6-7-19(18)36-5/h6-7,12,17,21-22,31-32H,8-11,13-15H2,1-5H3,(H,28,33)(H,29,30)/t17-,21+,22-,26+,27+/m1/s1
SMILES: CN1C=CC=C1C(=O)N2CC[C@H]3[C@H]2C(=O)N4C[C@H](C[C@@H]4C(=O)N3)NC(=O)C5=CC=CO5
InChI: InChI=1S/C21H23N5O5/c1-24-7-2-4-14(24)20(29)25-8-6-13-17(25)21(30)26-11-12(10-15(26)18(27)23-13)22-19(28)16-5-3-9-31-16/h2-5,7,9,12-13,15,17H,6,8,10-11H2,1H3,(H,22,28)(H,23,27)/t12-,13-,15+,17-/m0/s1
SMILES: CC(=O)[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)NC=O
InChI: InChI=1S/C24H35NO4/c1-15(27)24(25-14-26)12-9-21-19-6-5-17-13-18(29-16(2)28)7-10-22(17,3)20(19)8-11-23(21,24)4/h5,14,18-21H,6-13H2,1-4H3,(H,25,26)/t18-,19+,20-,21-,22-,23-,24+/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@]2(C4=CC=CC=C4)O)CCC5=C3C=CC(=C5)O)OC
InChI: InChI=1S/C25H30O3/c1-24-15-22(28-2)23-19-11-9-18(26)14-16(19)8-10-20(23)21(24)12-13-25(24,27)17-6-4-3-5-7-17/h3-7,9,11,14,20-23,26-27H,8,10,12-13,15H2,1-2H3/t20-,21-,22-,23+,24-,25+/m0/s1
SMILES: CC1=C(C[C@]2([C@@H](C1)C3=CC=CC=C3N(C2=O)C)C(=O)C)C
InChI: InChI=1S/C18H21NO2/c1-11-9-15-14-7-5-6-8-16(14)19(4)17(21)18(15,13(3)20)10-12(11)2/h5-8,15H,9-10H2,1-4H3/t15-,18+/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@@]3(CCC[C@]([C@H]3CC2)(CCNCCCl)C(=O)OC)C
InChI: InChI=1S/C24H36ClNO2/c1-17(2)18-6-8-20-19(16-18)7-9-21-23(20,3)10-5-11-24(21,22(27)28-4)12-14-26-15-13-25/h6,8,16-17,21,26H,5,7,9-15H2,1-4H3/t21-,23-,24+/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O
InChI: InChI=1S/C23H37FN2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(27)32-15-17-19(28)20(29)22(33-17)26-14-16(24)21(30)25-23(26)31/h14,17,19-20,22,28-29H,2-13,15H2,1H3,(H,25,30,31)/t17-,19-,20-,22-/m1/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N9CCN(CC9)C1=NC=CC=N1
InChI: InChI=1S/C59H63N7O10/c1-38(2)47(53(69)74-3)62-57(72)65-45-24-19-39(25-28-58(73)26-12-4-5-13-27-58)37-44(45)59(55(65)71)46(52(68)63-31-33-64(34-32-63)56-60-29-14-30-61-56)49-54(70)76-50(41-17-10-7-11-18-41)48(40-15-8-6-9-16-40)66(49)51(59)42-20-22-43(23-21-42)75-36-35-67/h6-11,14-24,29-30,37-38,46-51,67,73H,4-5,12-13,26-27,31-36H2,1-3H3,(H,62,72)/t46-,47-,48-,49-,50+,51+,59-/m0/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)C5CCCCC5)C6=C(C=C(C=C6OC)OC)O
InChI: InChI=1S/C31H33NO7/c1-15-11-22(33)21-14-20-18(9-10-19-25(20)31(37)32(30(19)36)16-7-5-4-6-8-16)26(27(21)29(15)35)28-23(34)12-17(38-2)13-24(28)39-3/h9,11-13,16,19-20,25-26,34H,4-8,10,14H2,1-3H3/t19-,20+,25-,26-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4)CSC5=NC=NN5
InChI: InChI=1S/C28H30N4O5S2/c1-19-25(17-38-28-29-18-30-32-28)36-27(37-26(19)22-11-9-21(16-33)10-12-22)23-13-7-20(8-14-23)15-31-39(34,35)24-5-3-2-4-6-24/h2-14,18-19,25-27,31,33H,15-17H2,1H3,(H,29,30,32)/t19-,25+,26+,27+/m0/s1
SMILES: CCSC1=NN2[C@H]([C@H]3C(=O)CCC=C3NC2=N1)C4=CC(=C(C=C4)O)O
InChI: InChI=1S/C17H18N4O3S/c1-2-25-17-19-16-18-10-4-3-5-12(23)14(10)15(21(16)20-17)9-6-7-11(22)13(24)8-9/h4,6-8,14-15,22,24H,2-3,5H2,1H3,(H,18,19,20)/t14-,15+/m1/s1
SMILES: C1CCC(CC1)OC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C22H25NO4/c24-20-18-13-9-10-14(11-13)19(18)21(25)23(20)16-6-4-5-15(12-16)22(26)27-17-7-2-1-3-8-17/h4-6,12-14,17-19H,1-3,7-11H2/t13-,14-,18-,19-/m0/s1
SMILES: CC[C@@H]1CN(CC[C@@H]1CC(=O)OCC)CCCCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI: InChI=1S/C28H37F2NO3/c1-3-21-20-31(17-15-24(21)19-27(32)33-4-2)16-5-6-18-34-28(22-7-11-25(29)12-8-22)23-9-13-26(30)14-10-23/h7-14,21,24,28H,3-6,15-20H2,1-2H3/t21-,24-/m1/s1
SMILES: C1[C@H]2[C@@H](O[C@](O2)(CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CO)COCC6=CC=CC=C6
InChI: InChI=1S/C29H29NO6/c31-19-29-18-30(14-26(35-29)27(36-29)17-33-15-20-8-2-1-3-9-20)28(32)34-16-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,25-27,31H,14-19H2/t26-,27-,29+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@@H]3[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: CCNC(=O)NCC1=CC(=CC=C1)C2=CC=C(C=C2)[C@@H]3O[C@@H]([C@@H]([C@@H](O3)C4=CC=C(C=C4)CO)C)CSC5=CC=C(C=C5)C(=O)O
InChI: InChI=1S/C36H38N2O6S/c1-3-37-36(42)38-20-25-5-4-6-30(19-25)26-11-13-29(14-12-26)35-43-32(22-45-31-17-15-28(16-18-31)34(40)41)23(2)33(44-35)27-9-7-24(21-39)8-10-27/h4-19,23,32-33,35,39H,3,20-22H2,1-2H3,(H,40,41)(H2,37,38,42)/t23-,32+,33+,35+/m0/s1
SMILES: CCC1=CC=C(C=C1)[C@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C5=C(N2)C(=CC=C5)C(=O)[O-]
InChI: InChI=1S/C23H25NO2/c1-2-13-6-8-14(9-7-13)21-20-16-11-10-15(12-16)19(20)17-4-3-5-18(23(25)26)22(17)24-21/h3-9,15-16,19-21,24H,2,10-12H2,1H3,(H,25,26)/p-1/t15-,16-,19+,20-,21-/m0/s1
SMILES: C=COC(=O)N1CC[C@@H]([C@@H](C1)C2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C20H20N2O5/c1-2-26-20(23)21-13-12-19(18(14-21)15-6-4-3-5-7-15)27-17-10-8-16(9-11-17)22(24)25/h2-11,18-19H,1,12-14H2/t18-,19-/m0/s1
SMILES: C[C@@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OCC3=CC=CC=C3)CC4=CC=CC=C4)C)O
InChI: InChI=1S/C28H33NO3/c1-21(30)28(2)20-29(17-22-10-6-4-7-11-22)18-25(28)24-14-15-26(31-3)27(16-24)32-19-23-12-8-5-9-13-23/h4-16,21,25,30H,17-20H2,1-3H3/t21-,25-,28-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H](NC2=S)CC[C@@H](C3=CC=C(C=C3)F)O)C4=C(C=C(C=C4)C5=CC=C(C=C5)P(=O)(O)O)O
InChI: InChI=1S/C30H28FN2O5PS/c31-22-11-6-20(7-12-22)27(34)17-16-26-29(33(30(40)32-26)23-4-2-1-3-5-23)25-15-10-21(18-28(25)35)19-8-13-24(14-9-19)39(36,37)38/h1-15,18,26-27,29,34-35H,16-17H2,(H,32,40)(H2,36,37,38)/t26-,27+,29-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=CC(=C(C=C3)OC)Cl
InChI: InChI=1S/C20H23ClN2O6/c1-12-5-3-4-8-20(12)18(26)23(19(27)22-20)10-17(25)29-11-15(24)13-6-7-16(28-2)14(21)9-13/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,22,27)/t12-,20-/m1/s1
SMILES: CCC1=C2CC[C@@H]3[C@H]([C@H]2[C@@](N(C1=O)C(=O)NCCN4CCOCC4)(CC5=CC=CC=C5)C(=O)NCCC6=CNC7=CC=CC=C76)C(=O)N(C3=O)CC(=O)OC
InChI: InChI=1S/C41H48N6O8/c1-3-28-30-13-14-31-34(38(51)46(36(31)49)25-33(48)54-2)35(30)41(23-26-9-5-4-6-10-26,39(52)42-16-15-27-24-44-32-12-8-7-11-29(27)32)47(37(28)50)40(53)43-17-18-45-19-21-55-22-20-45/h4-12,24,31,34-35,44H,3,13-23,25H2,1-2H3,(H,42,52)(H,43,53)/t31-,34-,35+,41+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@H]2CO[C@](N2C1=O)(C)C3=CC=CC=C3)O
InChI: InChI=1S/C14H17NO3/c1-9-12(16)11-8-18-14(2,15(11)13(9)17)10-6-4-3-5-7-10/h3-7,9,11-12,16H,8H2,1-2H3/t9-,11-,12+,14-/m1/s1
SMILES: CCN1CC=C2[C@@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C22H23N5O2/c1-4-27-8-7-15-17(10-23)21(26)22(12-24,13-25)20(18(15)11-27)16-9-14(28-2)5-6-19(16)29-3/h5-7,9,17-18,20,26H,4,8,11H2,1-3H3/t17?,18-,20+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2=O)/C=C/3\CCNC3=O)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C30H31N3O7S/c1-30(2,3)40-29(37)32-22-26(35)33-23(21(17-41(38)27(22)33)16-20-14-15-31-25(20)34)28(36)39-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16,22,24,27H,14-15,17H2,1-3H3,(H,31,34)(H,32,37)/b20-16+/t22-,27-,41?/m1/s1
SMILES: CC1=C(C(=CC=C1)C)N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@@H]5[C@@H]4C(=NO5)C6=CC=CC=C6Cl
InChI: InChI=1S/C24H21ClN2O3/c1-11-6-5-7-12(2)21(11)27-23(28)17-14-10-15(18(17)24(27)29)22-19(14)20(26-30-22)13-8-3-4-9-16(13)25/h3-9,14-15,17-19,22H,10H2,1-2H3/t14-,15+,17+,18+,19+,22-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)NC3=CC=C(C=C3)OC(F)F
InChI: InChI=1S/C20H26F2N2O3/c1-12-4-3-5-17(13(12)2)24-11-14(10-18(24)25)19(26)23-15-6-8-16(9-7-15)27-20(21)22/h6-9,12-14,17,20H,3-5,10-11H2,1-2H3,(H,23,26)/t12-,13+,14+,17-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@@H](O3)CO)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)OC)CO)O)O)O
InChI: InChI=1S/C33H40O18/c1-44-19-10-16(4-7-18(19)36)5-9-25(38)49-31-28(41)22(13-34)50-33(31,15-35)51-32-30(43)29(42)27(40)23(48-32)14-47-24(37)8-6-17-11-20(45-2)26(39)21(12-17)46-3/h4-12,22-23,27-32,34-36,39-43H,13-15H2,1-3H3/b8-6+,9-5+/t22-,23+,27+,28+,29-,30+,31-,32+,33-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)CN6C=CC7=CC=CC=C76)C)OC(=O)C
InChI: InChI=1S/C43H47NO13/c1-23-30(53-24(2)45)20-43(51)38(56-39(50)28-14-9-8-10-15-28)36-41(7,37(49)35(54-25(3)46)34(23)40(43,5)6)31(19-32-42(36,22-52-32)57-26(4)47)55-33(48)21-44-18-17-27-13-11-12-16-29(27)44/h8-18,30-32,35-36,38,51H,19-22H2,1-7H3/t30-,31-,32+,35+,36-,38-,41+,42-,43+/m0/s1
SMILES: CCOC1=CC=CC=C1[C@@H]2[C@H](C(=O)NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)C)Cl)C(=O)OCC
InChI: InChI=1S/C26H26ClN3O5S/c1-4-34-20-9-7-6-8-17(20)22-18(13-28)25(30-24(32)23(22)26(33)35-5-2)36-14-21(31)29-16-11-10-15(3)19(27)12-16/h6-12,22-23H,4-5,14H2,1-3H3,(H,29,31)(H,30,32)/t22-,23+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@@H](C)OC(=O)CCC(=O)C2=CC=C(S2)C
InChI: InChI=1S/C20H29NO4S/c1-12-6-5-7-16(14(12)3)21-20(24)15(4)25-19(23)11-9-17(22)18-10-8-13(2)26-18/h8,10,12,14-16H,5-7,9,11H2,1-4H3,(H,21,24)/t12-,14-,15+,16+/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC3=C(C=CC(=C3)C(=O)O)Cl
InChI: InChI=1S/C16H15ClN2O3/c1-9-6-12(9)15-5-3-11(22-15)8-18-19-14-7-10(16(20)21)2-4-13(14)17/h2-5,7-9,12,19H,6H2,1H3,(H,20,21)/b18-8-/t9-,12+/m1/s1
SMILES: CCOC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O
InChI: InChI=1S/C24H32O7/c1-4-30-21(28)31-13-19(27)24(29)10-8-17-16-6-5-14-11-15(25)7-9-22(14,2)20(16)18(26)12-23(17,24)3/h7,9,11,16-18,20,26,29H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,20+,22-,23-,24-/m0/s1
SMILES: C[Si](C)(C)N(C1=NC(=NC2=C1N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C4=CC=CS4)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChI: InChI=1S/C26H48N6O4SSi4/c1-38(2,3)31(39(4,5)6)24-19-23(28-26(29-24)32(40(7,8)9)41(10,11)12)30(22(27-19)18-14-13-15-37-18)25-21(35)20(34)17(16-33)36-25/h13-15,17,20-21,25,33-35H,16H2,1-12H3/t17-,20-,21-,25-/m1/s1
SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)CN3[C@H](O2)C(=C(C)C)C3=O
InChI: InChI=1S/C12H17NO4/c1-6(2)10-11(14)13-4-8-9(17-12(10)13)5-15-7(3)16-8/h7-9,12H,4-5H2,1-3H3/t7-,8+,9-,12-/m1/s1
SMILES: C[C@@]12CCC[C@H]1[C@@H]3C/C(=N\O)/C4=CC(=O)CC[C@@]4([C@H]3CC2)C
InChI: InChI=1S/C19H27NO2/c1-18-7-3-4-14(18)13-11-17(20-22)16-10-12(21)5-9-19(16,2)15(13)6-8-18/h10,13-15,22H,3-9,11H2,1-2H3/b20-17+/t13-,14-,15-,18-,19+/m0/s1
SMILES: C/C=C\1/CN2CC[C@@H]1[C@](C3=C(C2)C4=CC=CC=C4N3)(CO)C(=O)OC
InChI: InChI=1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@H]2C3=CC4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6
InChI: InChI=1S/C29H23NO2S/c1-20-15-17-23(18-16-20)33(31,32)30-28(21-9-3-2-4-10-21)29(30)27-19-22-11-5-6-12-24(22)25-13-7-8-14-26(25)27/h2-19,28-29H,1H3/t28-,29-,30?/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(=CS2)/C=C/3\CCN(C3=O)C4=CC(=CC=C4)OC)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C37H37N3O7S/c1-37(2,3)47-36(44)38-29-33(42)40-30(35(43)46-31(23-12-7-5-8-13-23)24-14-9-6-10-15-24)26(22-48-34(29)40)20-25-18-19-39(32(25)41)27-16-11-17-28(21-27)45-4/h5-17,20-22,29-31,34H,18-19H2,1-4H3,(H,38,44)/b25-20+/t29-,30-,34-/m1/s1
SMILES: CC[C@@H]1/C=C(/[C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)O)\C
InChI: InChI=1S/C43H69NO13/c1-10-29-18-23(2)37(48)24(3)19-35(54-8)39-36(55-9)20-26(5)43(52,57-39)40(49)41(50)44-16-12-11-13-30(44)42(51)56-38(27(6)32(46)22-33(29)47)25(4)17-28-14-15-31(45)34(21-28)53-7/h17-18,24,26-32,34-39,45-46,48,52H,10-16,19-22H2,1-9H3/b23-18+,25-17+/t24-,26-,27-,28+,29-,30+,31-,32+,34-,35+,36+,37-,38-,39-,43-/m1/s1
SMILES: C[C@H]1[C@H](N[C@@H]([C@@H](C1=O)C)C2=C(C(=CC=C2)OC)O)C3=C(C(=CC=C3)OC)O
InChI: InChI=1S/C21H25NO5/c1-11-17(13-7-5-9-15(26-3)20(13)24)22-18(12(2)19(11)23)14-8-6-10-16(27-4)21(14)25/h5-12,17-18,22,24-25H,1-4H3/t11-,12-,17-,18-/m0/s1
SMILES: C[C@@]12C[C@H]([C@H]3[C@H]([C@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)NCC4=CC=C(C=C4)C(=O)O)O)CCC5=CC(=O)C=C[C@]35C)O
InChI: InChI=1S/C33H39NO9/c1-31-13-11-22(35)15-21(31)7-8-23-24-12-14-33(42,32(24,2)16-25(36)29(23)31)26(37)18-43-28(39)10-9-27(38)34-17-19-3-5-20(6-4-19)30(40)41/h3-6,11,13,15,23-25,29,36,42H,7-10,12,14,16-18H2,1-2H3,(H,34,38)(H,40,41)/t23-,24+,25+,29+,31-,32+,33-/m0/s1
SMILES: COC1=C(C=C(C=C1)N2C=NC3=C(C2=O)C=C(C=C3)Cl)CN[C@H]4CCCN[C@H]4C5=CC=CC=C5.Cl.Cl
InChI: InChI=1S/C27H27ClN4O2.2ClH/c1-34-25-12-10-21(32-17-31-23-11-9-20(28)15-22(23)27(32)33)14-19(25)16-30-24-8-5-13-29-26(24)18-6-3-2-4-7-18;;/h2-4,6-7,9-12,14-15,17,24,26,29-30H,5,8,13,16H2,1H3;2*1H/t24-,26-;;/m0../s1
SMILES: C[C@H]1[C@@H]([C@](C[C@H]([C@@]2([C@H]3[C@@]1(CCC2C)CCC3=O)C)OC(=O)NC(=O)O[C@H]4CC(=O)NC4)(C)C=C)O
InChI: InChI=1S/C26H38N2O7/c1-6-24(4)12-18(35-23(33)28-22(32)34-16-11-19(30)27-13-16)25(5)14(2)7-9-26(15(3)21(24)31)10-8-17(29)20(25)26/h6,14-16,18,20-21,31H,1,7-13H2,2-5H3,(H,27,30)(H,28,32,33)/t14?,15-,16-,18+,20-,21-,24+,25+,26-/m0/s1
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)CO)O)C
InChI: InChI=1S/C28H46O3/c1-17(2)18(3)6-7-19(4)22-8-9-23-26-24(11-12-27(22,23)5)28(16-29)13-10-21(30)14-20(28)15-25(26)31/h15,17,19,21-26,29-31H,3,6-14,16H2,1-2,4-5H3/t19-,21+,22-,23+,24+,25+,26+,27-,28-/m1/s1
SMILES: C/C=C(\CO)/C(=O)OC/C(=C\CO)/C(=O)O[C@@H]1C/C(=C/CC/C(=C/[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)/C
InChI: InChI=1S/C25H32O8/c1-5-18(13-27)24(29)31-14-19(9-10-26)25(30)33-21-12-16(3)8-6-7-15(2)11-20-22(21)17(4)23(28)32-20/h5,8-9,11,20-22,26-27H,4,6-7,10,12-14H2,1-3H3/b15-11+,16-8+,18-5+,19-9+/t20-,21-,22+/m1/s1
SMILES: CC1(OC[C@H](O1)[C@H]([C@@H](/C=C/C[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)C
InChI: InChI=1S/C58H64O9/c1-58(2)65-43-53(67-58)54(61-38-46-26-13-5-14-27-46)50(60-37-45-24-11-4-12-25-45)34-21-35-51-55(62-39-47-28-15-6-16-29-47)57(64-41-49-32-19-8-20-33-49)56(63-40-48-30-17-7-18-31-48)52(66-51)42-59-36-44-22-9-3-10-23-44/h3-34,50-57H,35-43H2,1-2H3/b34-21+/t50-,51-,52-,53+,54+,55+,56-,57-/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@]1(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C6=CC7=C(C=C6)OCO7
InChI: InChI=1S/C32H26O6/c33-31(20-7-3-1-4-8-20)30-29(22-12-14-26-28(16-22)38-19-36-26)24(17-32(30,34)23-9-5-2-6-10-23)21-11-13-25-27(15-21)37-18-35-25/h1-16,24,29-30,34H,17-19H2/t24-,29-,30-,32+/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1[C@H]3CCC4[C@]([C@@]3(CC2)C)(CCC5[C@@]4(C[C@H]([C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)O)O)C)C)C(=O)O
InChI: InChI=1S/C39H54O7/c1-22(2)24-14-17-39(34(44)45)19-18-37(6)25(32(24)39)10-12-30-36(5)21-28(42)33(35(3,4)29(36)15-16-38(30,37)7)46-31(43)13-9-23-8-11-26(40)27(41)20-23/h8-9,11,13,20,24-25,28-30,32-33,40-42H,1,10,12,14-19,21H2,2-7H3,(H,44,45)/b13-9+/t24-,25+,28+,29?,30?,32?,33-,36-,37+,38+,39-/m0/s1
SMILES: COC(=O)[C@@H]1CC2=C3C[C@H]([C@H](CC3=C4C[C@H]([C@H](CC4=C2C[C@H]1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI: InChI=1S/C30H36O12/c1-37-25(31)19-7-13-14(8-20(19)26(32)38-2)16-10-22(28(34)40-4)24(30(36)42-6)12-18(16)17-11-23(29(35)41-5)21(9-15(13)17)27(33)39-3/h19-24H,7-12H2,1-6H3/t19-,20-,21-,22+,23+,24-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]3C/C=C(/[C@@H](CC/C(=C/CC/C(=C/C[C@@]3([C@@H]([C@@H]2O[C@@H]1OCC4=CC=CC=C4)OCOC)CO)/C)/C)O[Si](C)(C)C(C)(C)C)\C
InChI: InChI=1S/C40H64O6Si/c1-28-15-14-16-29(2)23-24-40(26-41)33(21-20-30(3)34(22-19-28)46-47(9,10)39(5,6)7)35-31(4)38(43-25-32-17-12-11-13-18-32)45-36(35)37(40)44-27-42-8/h11-13,15,17-18,20,23,31,33-38,41H,14,16,19,21-22,24-27H2,1-10H3/b28-15+,29-23+,30-20+/t31-,33+,34+,35+,36+,37+,38-,40+/m0/s1
SMILES: CN1CCN([C@]([C@@]1([C]2[CH][CH][CH][CH]2)O)([C]3[CH][CH][CH][CH]3)O)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ru+2].[Ru+2]
InChI: InChI=1S/C16H20N2O2.2C5H5.2Ru/c1-17-11-12-18(2)16(20,14-9-5-6-10-14)15(17,19)13-7-3-4-8-13;2*1-2-4-5-3-1;;/h3-10,19-20H,11-12H2,1-2H3;2*1-5H;;/q;;;2*+2/t15-,16-;;;;/m1..../s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)OC)[C@@]4(C1=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NCC=C
InChI: InChI=1S/C51H47N3O10/c1-4-27-52-47(56)42-44-48(57)64-45(36-13-9-6-10-14-36)43(35-11-7-5-8-12-35)54(44)46(37-20-24-39(25-21-37)62-29-28-55)51(42)40-32-34(16-15-33-17-22-38(61-3)23-18-33)19-26-41(40)53(49(51)58)50(59)63-31-30-60-2/h4-14,17-26,32,42-46,55H,1,27-31H2,2-3H3,(H,52,56)/t42-,43-,44-,45+,46+,51-/m1/s1
SMILES: C[C@]12CC[C@H](C([C@@H]1CC[C@]3([C@@H]2COC3=O)O)(C)C)O
InChI: InChI=1S/C15H24O4/c1-13(2)9-4-7-15(18)10(8-19-12(15)17)14(9,3)6-5-11(13)16/h9-11,16,18H,4-8H2,1-3H3/t9-,10+,11+,14-,15+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)C3=C[C@H]4[C@@H](C[C@@H]32)OC(O4)(C)C
InChI: InChI=1S/C18H21NO5S/c1-11-4-6-12(7-5-11)25(21,22)19-10-15(20)13-8-16-17(9-14(13)19)24-18(2,3)23-16/h4-8,14,16-17H,9-10H2,1-3H3/t14-,16-,17+/m0/s1
SMILES: CCCCCCC1(OCCO1)CCCCCC/C=C/[C@@H]([C@@H]2[C@H]3[C@@](C(=O)O2)(N=C(O3)C4=CC=CC=C4)C)OCC5=CC=C(C=C5)OC
InChI: InChI=1S/C38H51NO7/c1-4-5-6-15-24-38(43-26-27-44-38)25-16-10-8-7-9-14-19-32(42-28-29-20-22-31(41-3)23-21-29)33-34-37(2,36(40)45-33)39-35(46-34)30-17-12-11-13-18-30/h11-14,17-23,32-34H,4-10,15-16,24-28H2,1-3H3/b19-14+/t32-,33+,34-,37-/m0/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@@H](CO[C@@H](O3)C4=CC=CC=C4[C@@H]5CO5)O[C@@H]2O1)C
InChI: InChI=1S/C17H20O6/c1-17(2)22-14-13-12(20-16(14)23-17)8-19-15(21-13)10-6-4-3-5-9(10)11-7-18-11/h3-6,11-16H,7-8H2,1-2H3/t11-,12+,13-,14+,15-,16+/m0/s1
SMILES: C[C@H]1[C@H](OC(=O)N1C(=O)[C@@H](CC2=CC=CC=C2)[C@H]3C(=O)C=CC(=CCCOCCO)O3)C4=CC=CC=C4
InChI: InChI=1S/C29H31NO7/c1-20-26(22-11-6-3-7-12-22)37-29(34)30(20)28(33)24(19-21-9-4-2-5-10-21)27-25(32)15-14-23(36-27)13-8-17-35-18-16-31/h2-7,9-15,20,24,26-27,31H,8,16-19H2,1H3/t20-,24-,26-,27-/m0/s1
SMILES: CC(CC1=CC=CC=C1)C(C(=C)CC[C@]23[C@@H]([C@H]([C@](O2)([C@@]([C@H](O3)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)OC(=O)CC(C)(C)C)OC(C)(C)OC)OC(=O)C
InChI: InChI=1S/C47H72O15/c1-28(33(55-30(3)48)29(2)26-31-22-20-19-21-23-31)24-25-45-34(57-44(16,17)54-18)35(56-32(49)27-40(4,5)6)47(62-45,39(52)61-43(13,14)15)46(53,38(51)60-42(10,11)12)36(58-45)37(50)59-41(7,8)9/h19-23,29,33-36,53H,1,24-27H2,2-18H3/t29?,33?,34-,35-,36-,45-,46-,47-/m1/s1
SMILES: CN1C[C@@H]([C@@H]([C@H]([C@H](C1)OCC2=CC(=CC(=C2)F)F)O)O)OCC3=CC(=CC(=C3)F)F
InChI: InChI=1S/C21H23F4NO4/c1-26-8-18(29-10-12-2-14(22)6-15(23)3-12)20(27)21(28)19(9-26)30-11-13-4-16(24)7-17(25)5-13/h2-7,18-21,27-28H,8-11H2,1H3/t18-,19-,20-,21-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC(=C(C=C3)C)NC(=O)C)O)O)O[C@@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)C6=CC=CC=C6)O)O
InChI: InChI=1S/C36H43NO14S/c1-19-9-13-24(14-10-19)52(43,44)47-18-27-33(28(39)30(41)35(48-27)45-16-22-12-11-20(2)25(15-22)37-21(3)38)51-36-31(42)29(40)32-26(49-36)17-46-34(50-32)23-7-5-4-6-8-23/h4-15,26-36,39-42H,16-18H2,1-3H3,(H,37,38)/t26-,27-,28-,29-,30-,31-,32-,33-,34?,35-,36-/m1/s1
SMILES: CC(=C1[C@@H]2CC[C@H]1[C@@H]3[C@@H]2C(=O)N(C3=O)NC(=O)C4=CC=CO4)C
InChI: InChI=1S/C17H18N2O4/c1-8(2)12-9-5-6-10(12)14-13(9)16(21)19(17(14)22)18-15(20)11-4-3-7-23-11/h3-4,7,9-10,13-14H,5-6H2,1-2H3,(H,18,20)/t9-,10+,13-,14-/m1/s1
SMILES: CCC[C@@H]1CC[C@H]2[C@@H](CCC[C@@H]2N1C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C
InChI: InChI=1S/C20H28N2O3/c1-3-5-16-12-13-18-14(2)6-4-7-19(18)21(16)20(23)15-8-10-17(11-9-15)22(24)25/h8-11,14,16,18-19H,3-7,12-13H2,1-2H3/t14-,16-,18+,19+/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]2[C@@H](COC3(O2)CCCCC3)O[C@@H]([C@@H]1OC(=O)C)O[C@@H]4[C@H]5[C@H]([C@H]6[C@H](O4)COC7(O6)CCCCC7)OC8(O5)CCCCC8
InChI: InChI=1S/C34H50O13/c1-20(35)39-26-24-22(18-37-32(44-24)12-6-3-7-13-32)41-30(28(26)40-21(2)36)43-31-29-27(46-34(47-29)16-10-5-11-17-34)25-23(42-31)19-38-33(45-25)14-8-4-9-15-33/h22-31H,3-19H2,1-2H3/t22-,23-,24-,25-,26+,27+,28-,29-,30-,31-/m1/s1
SMILES: CC1=CC(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C21H27NO9/c1-11-7-6-8-16(9-11)30-21-18(22-12(2)23)20(29-15(5)26)19(28-14(4)25)17(31-21)10-27-13(3)24/h6-9,17-21H,10H2,1-5H3,(H,22,23)/t17-,18-,19-,20-,21-/m1/s1
SMILES: CC(=O)NC1(CC1)CC(C2CCCC2)C3CCN(CC3)C(=O)[C@H]4CN(C[C@@H]4C5=C(C=C(C=C5)F)F)C(C)(C)C
InChI: InChI=1S/C32H47F2N3O2/c1-21(38)35-32(13-14-32)18-26(22-7-5-6-8-22)23-11-15-36(16-12-23)30(39)28-20-37(31(2,3)4)19-27(28)25-10-9-24(33)17-29(25)34/h9-10,17,22-23,26-28H,5-8,11-16,18-20H2,1-4H3,(H,35,38)/t26?,27-,28+/m1/s1
SMILES: C[C@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1OC(=O)C)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)OC(=O)C)O)O)OC)/C
InChI: InChI=1S/C39H62O11/c1-21(2)35-26(7)33(47-29(10)40)20-39(44,50-35)28(9)34(42)27(8)37-31(45-12)16-14-15-22(3)17-24(5)36(48-30(11)41)25(6)18-23(4)19-32(46-13)38(43)49-37/h14-16,18-19,21,24-28,31,33-37,42,44H,17,20H2,1-13H3/b16-14+,22-15+,23-18+,32-19-/t24-,25+,26-,27-,28-,31-,33+,34+,35+,36-,37+,39+/m0/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)CCCCCC(=O)O)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C35H36ClFN2O9/c1-35-22(32(44)39(34(35)46)18-8-11-24(37)23(36)15-18)16-21-19(29(35)17-13-25(47-2)30(42)26(14-17)48-3)9-10-20-28(21)33(45)38(31(20)43)12-6-4-5-7-27(40)41/h8-9,11,13-15,20-22,28-29,42H,4-7,10,12,16H2,1-3H3,(H,40,41)/t20-,21+,22-,28-,29-,35+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)CCC5=CC=CC=C5
InChI: InChI=1S/C27H32O3/c1-27-16-15-22-21-11-9-20(30-26(29)14-7-18-5-3-2-4-6-18)17-19(21)8-10-23(22)24(27)12-13-25(27)28/h2-6,9,11,17,22-25,28H,7-8,10,12-16H2,1H3/t22-,23-,24+,25+,27+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCC[NH+]2CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F
InChI: InChI=1S/C21H30FN3O3S/c22-18-7-3-8-19(15-18)29(27,28)25-13-11-23(12-14-25)21(26)16-24-10-4-6-17-5-1-2-9-20(17)24/h3,7-8,15,17,20H,1-2,4-6,9-14,16H2/p+1/t17-,20-/m0/s1
SMILES: C[C@H](CCCC(C(F)(F)F)(C(F)(F)F)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8-,19-9+/t16-,20-,21-,22+,23+,24-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC[C@@H](C[N+]2(CCOCC2)C)O)C(C)C
InChI: InChI=1S/C18H36NO3/c1-14(2)17-6-5-15(3)11-18(17)22-13-16(20)12-19(4)7-9-21-10-8-19/h14-18,20H,5-13H2,1-4H3/q+1/t15-,16-,17+,18-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1C=C(C(=O)[C@H]1/C=C(\C)/CCC=C(C)C)C
InChI: InChI=1S/C21H36O2Si/c1-8-24(9-2,10-3)23-20-15-18(7)21(22)19(20)14-17(6)13-11-12-16(4)5/h12,14-15,19-20H,8-11,13H2,1-7H3/b17-14+/t19-,20+/m0/s1
SMILES: CCN(CCNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C3=CC=CC(=C3)C
InChI: InChI=1S/C22H31N3O3/c1-3-24(17-8-6-7-16(2)15-17)14-12-23-20(26)11-13-25-21(27)18-9-4-5-10-19(18)22(25)28/h6-8,15,18-19H,3-5,9-14H2,1-2H3,(H,23,26)/t18-,19+
SMILES: CCN(CC)CCO[C@H]1CC[C@@]2([C@@H]3CC[C@]4([C@@H]([C@@H]3CC=C2C1)CCC4=O)C)C
InChI: InChI=1S/C25H41NO2/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24/h7,19-22H,5-6,8-17H2,1-4H3/t19-,20-,21+,22+,24-,25-/m0/s1
SMILES: COC1=C(C=C(C=C1)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)OC
InChI: InChI=1S/C28H20ClNO7/c1-35-19-12-11-16(13-20(19)36-2)30-26(33)21-22(27(30)34)28(37-23(21)14-7-9-15(29)10-8-14)24(31)17-5-3-4-6-18(17)25(28)32/h3-13,21-23H,1-2H3/t21-,22+,23+/m1/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(CCCC[C@@H]4C3)O)CC5=CC=CC=C5
InChI: InChI=1S/C32H37N3O7/c1-21-25-11-10-24(16-27(25)42-31(39)26(21)15-22-7-3-2-4-8-22)41-20-29(37)33-17-28(36)34-18-30(38)35-14-13-32(40)12-6-5-9-23(32)19-35/h2-4,7-8,10-11,16,23,40H,5-6,9,12-15,17-20H2,1H3,(H,33,37)(H,34,36)/t23-,32-/m1/s1