EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCC[C@@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O[Si](CCC2=CC=C(C=C2)CCl)(C(C)C)C(C)C)O
InChI: InChI=1S/C37H61ClO5Si/c1-8-9-23-37(6,41)24-14-16-33-32(15-12-10-11-13-17-36(40)42-7)34(39)26-35(33)43-44(28(2)3,29(4)5)25-22-30-18-20-31(27-38)21-19-30/h14,16,18-21,28-29,32-33,35,41H,8-13,15,17,22-27H2,1-7H3/b16-14+/t32-,33-,35-,37+/m1/s1
SMILES: CC(=O)O[C@@H](C1=C(CCCC1)CO)[C@]23C[C@@H]([C@H](O2)C([C@@H]3CO)(C)C)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C35H48O6Si/c1-24(38)39-31(28-20-14-13-15-25(28)22-36)35-21-29(32(40-35)34(5,6)30(35)23-37)41-42(33(2,3)4,26-16-9-7-10-17-26)27-18-11-8-12-19-27/h7-12,16-19,29-32,36-37H,13-15,20-23H2,1-6H3/t29-,30-,31-,32-,35+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]2[C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O[Si](CC)(CC)CC)(C)O)C)CC(=C)CO2)C)(C)O
InChI: InChI=1S/C39H74N2O9Si/c1-15-31-39(12,45)35-29(10)41(22-25(6)23-46-35)21-24(5)20-38(11,44)34(27(8)32(42)28(9)36(43)48-31)49-37-33(50-51(16-2,17-3)18-4)30(40(13)14)19-26(7)47-37/h24,26-35,37,42,44-45H,6,15-23H2,1-5,7-14H3/t24-,26-,27+,28-,29-,30+,31-,32+,33-,34-,35+,37+,38-,39-/m1/s1
SMILES: CC1([C@@H]2CC=C(C[C@H]2C3=C(C=C(C=C3O1)C(C)(C)CCCCCCN=C=S)O)CO)C
InChI: InChI=1S/C26H37NO3S/c1-25(2,11-7-5-6-8-12-27-17-31)19-14-22(29)24-20-13-18(16-28)9-10-21(20)26(3,4)30-23(24)15-19/h9,14-15,20-21,28-29H,5-8,10-13,16H2,1-4H3/t20-,21-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)COC2=CC=C(C=C2)Cl
InChI: InChI=1S/C18H24ClNO4/c1-12-5-3-4-6-16(12)20-18(22)13(2)24-17(21)11-23-15-9-7-14(19)8-10-15/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,20,22)/t12-,13-,16+/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)N)O)C
InChI: InChI=1S/C23H30N2O4S/c1-23(2)22(26)21(24)19-15-18(8-9-20(19)29-23)30(27,28)25-12-10-17(11-13-25)14-16-6-4-3-5-7-16/h3-9,15,17,21-22,26H,10-14,24H2,1-2H3/t21-,22+/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O
InChI: InChI=1S/C41H39N3O10/c1-50-31-17-13-29(14-18-31)41(28-11-7-4-8-12-28,30-15-19-32(51-2)20-16-30)52-26-34-33(54-38(47)22-21-37(45)46)25-36(53-34)44-24-23-35(43-40(44)49)42-39(48)27-9-5-3-6-10-27/h3-20,23-24,33-34,36H,21-22,25-26H2,1-2H3,(H,45,46)(H,42,43,48,49)/t33-,34+,36+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@H]2[C@H](C(=O)N2CC3=CC=CC=C3)O)COCC4=CC=CC=C4)C
InChI: InChI=1S/C23H27NO5/c1-23(2)28-18(15-27-14-17-11-7-4-8-12-17)21(29-23)19-20(25)22(26)24(19)13-16-9-5-3-6-10-16/h3-12,18-21,25H,13-15H2,1-2H3/t18-,19+,20+,21+/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@]([C@H]1OCOC)(CC=O)CO)[C@H](C)COC(=O)C(C)(C)C
InChI: InChI=1S/C20H36O6/c1-14-7-8-16(15(2)11-25-18(23)19(3,4)5)20(12-22,9-10-21)17(14)26-13-24-6/h10,14-17,22H,7-9,11-13H2,1-6H3/t14-,15-,16-,17+,20-/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2C([C@H]([C@H](O2)CO)OP(=O)(O)O)O
InChI: InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6?,7+,8-/m1/s1
SMILES: COC1=C(C=C(C=C1)NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)S(=O)(=O)N4CCCCC4
InChI: InChI=1S/C21H30N2O4S/c1-27-19-8-7-18(14-20(19)28(25,26)23-9-3-2-4-10-23)22-21(24)13-17-12-15-5-6-16(17)11-15/h7-8,14-17H,2-6,9-13H2,1H3,(H,22,24)/t15-,16+,17-/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)N=[N+]=[N-])O
InChI: InChI=1S/C9H15N3O8/c10-12-11-5-3(14)1-9(19,8(17)18)20-7(5)6(16)4(15)2-13/h3-7,13-16,19H,1-2H2,(H,17,18)/t3-,4+,5+,6+,7+,9-/m0/s1
SMILES: C[C@@]12CCC[C@@]3([C@@H]1[C@H](C[C@]45[C@H]3CC[C@H](C4)C(=C)C5)OC2)C
InChI: InChI=1S/C20H30O/c1-13-9-20-10-14(13)5-6-16(20)19(3)8-4-7-18(2)12-21-15(11-20)17(18)19/h14-17H,1,4-12H2,2-3H3/t14-,15+,16+,17-,18+,19+,20-/m1/s1
SMILES: CCO[C@@H]1[C@@H]2[C@H]([C@H](O1)CP(=O)(OCC)OCC)OC(O2)(C)C
InChI: InChI=1S/C14H27O7P/c1-6-16-13-12-11(20-14(4,5)21-12)10(19-13)9-22(15,17-7-2)18-8-3/h10-13H,6-9H2,1-5H3/t10-,11+,12+,13+/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)N4C(=O)C5=CC=CC=C5C4=O)CSC6=CC=C(C=C6)C(=O)O
InChI: InChI=1S/C34H29NO7S/c1-20-29(19-43-26-15-13-23(14-16-26)33(39)40)41-34(42-30(20)22-11-9-21(18-36)10-12-22)24-5-4-6-25(17-24)35-31(37)27-7-2-3-8-28(27)32(35)38/h2-17,20,29-30,34,36H,18-19H2,1H3,(H,39,40)/t20-,29+,30+,34+/m1/s1
SMILES: CC1=C[C@@H]([C@@H]2[C@@]([C@@]13CC[C@@](O3)(C)CC(=O)OC)(CCCC2(C)C)C)O
InChI: InChI=1S/C21H34O4/c1-14-12-15(22)17-18(2,3)8-7-9-20(17,5)21(14)11-10-19(4,25-21)13-16(23)24-6/h12,15,17,22H,7-11,13H2,1-6H3/t15-,17-,19-,20-,21+/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.[Na+]
InChI: InChI=1S/C22H20N4O8S2.Na/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);/q;+1/p-1/t15-,17+,21-;/m1./s1
SMILES: C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)[C@H](CC5=CC=CC=C5)C(=O)O
InChI: InChI=1S/C20H19NO4/c22-18-16-11-6-7-12(14-9-13(11)14)17(16)19(23)21(18)15(20(24)25)8-10-4-2-1-3-5-10/h1-7,11-17H,8-9H2,(H,24,25)/t11-,12+,13+,14-,15-,16-,17+/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OC4C5=CC=CC=C5C6(CO[C@H]7[C@@H]6O[C@@H]8CO[C@H](O[C@H]8[C@@H]7OCC9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C41)OCC1=CC=CC=C1
InChI: InChI=1S/C56H54O11/c1-57-55-51(59-31-36-20-8-3-9-21-36)49(47-44(64-55)33-61-54(67-47)38-24-12-5-13-25-38)65-45-39-26-14-16-28-41(39)56(42-29-17-15-27-40(42)45)34-62-50-48(58-30-35-18-6-2-7-19-35)46-43(63-52(50)56)32-60-53(66-46)37-22-10-4-11-23-37/h2-29,43-55H,30-34H2,1H3/t43-,44-,45?,46-,47-,48+,49+,50-,51-,52+,53-,54-,55-,56?/m1/s1
SMILES: CCNC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@@H]3O[C@@H]([C@@H]([C@@H](O3)C4=CC=C(C=C4)CO)C)CN5CCC[C@H]5CO
InChI: InChI=1S/C34H43N3O5/c1-3-35-34(40)36-19-28-7-4-5-9-30(28)25-14-16-27(17-15-25)33-41-31(20-37-18-6-8-29(37)22-39)23(2)32(42-33)26-12-10-24(21-38)11-13-26/h4-5,7,9-17,23,29,31-33,38-39H,3,6,8,18-22H2,1-2H3,(H2,35,36,40)/t23-,29-,31+,32+,33+/m0/s1
SMILES: CC(C)OC1=CC=C(C=C1)C(=O)OCC[C@H]2CCC[NH+]3[C@H]2CCCC3
InChI: InChI=1S/C21H31NO3/c1-16(2)25-19-10-8-18(9-11-19)21(23)24-15-12-17-6-5-14-22-13-4-3-7-20(17)22/h8-11,16-17,20H,3-7,12-15H2,1-2H3/p+1/t17-,20+/m1/s1
SMILES: C[C@H]1C=C[C@H](O[C@@H]1CCCO[Si](C(C)C)(C(C)C)C(C)C)CCC[C@@H](CCOC(=O)C(C)(C)C)O
InChI: InChI=1S/C29H56O5Si/c1-21(2)35(22(3)4,23(5)6)33-19-12-15-27-24(7)16-17-26(34-27)14-11-13-25(30)18-20-32-28(31)29(8,9)10/h16-17,21-27,30H,11-15,18-20H2,1-10H3/t24-,25-,26+,27+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C(F)(F)F)C)OC(=O)C(F)(F)F
InChI: InChI=1S/C33H34F6O12/c1-14-17(41)12-31(46)24(50-25(43)16-9-7-6-8-10-16)22-29(5,23(42)21(20(14)28(31,3)4)49-27(45)33(37,38)39)18(48-26(44)32(34,35)36)11-19-30(22,13-47-19)51-15(2)40/h6-10,17-19,21-22,24,41,46H,11-13H2,1-5H3/t17-,18-,19+,21+,22?,24-,29+,30-,31+/m0/s1
SMILES: COC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/t15-,16+,19+/m1/s1
SMILES: C[C@@]12CCCC[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@]4(C#CCl)O)C
InChI: InChI=1S/C21H31ClO/c1-19-10-4-3-5-15(19)6-7-16-17(19)8-11-20(2)18(16)9-12-21(20,23)13-14-22/h15-18,23H,3-12H2,1-2H3/t15-,16+,17-,18+,19+,20+,21+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CSC2=C(C=CC(=C2)Cl)Cl
InChI: InChI=1S/C17H21Cl2NO3S/c1-11-4-2-3-5-14(11)20-16(21)9-23-17(22)10-24-15-8-12(18)6-7-13(15)19/h6-8,11,14H,2-5,9-10H2,1H3,(H,20,21)/t11-,14-/m1/s1
SMILES: CC(C)O[C@H]1[C@@H]2CC=C[C@@H]([C@@]2(C(=O)N1C)C#C[Si](C)(C)C)/C=C/O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C28H49NO3Si2/c1-20(2)32-26-25-15-13-14-24(16-18-31-34(21(3)4,22(5)6)23(7)8)28(25,27(30)29(26)9)17-19-33(10,11)12/h13-14,16,18,20-26H,15H2,1-12H3/b18-16+/t24-,25+,26+,28+/m1/s1
SMILES: CC1=CC2=C([C@@H]3C4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)OC(=O)C2=CC3=CC=CC=C3OC2=O)OC)OCO7)C)OC(=O)C)C(=C1OC)O
InChI: InChI=1S/C49H47N3O14S/c1-21-13-26-15-29-45(55)52-30-18-61-48(58)49(28-17-32(59-5)33(16-24(28)11-12-50-49)66-47(57)27-14-25-9-7-8-10-31(25)65-46(27)56)19-67-44(38(52)37(51(29)4)34(26)39(54)40(21)60-6)36-35(30)43-42(62-20-63-43)22(2)41(36)64-23(3)53/h7-10,13-14,16-17,29-30,37-38,44-45,50,54-55H,11-12,15,18-20H2,1-6H3/t29-,30-,37+,38?,44+,45-,49+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C5=CC=CC=C5C=C4)O)Cl)C6=CC=C(C=C6)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C(=O)N
InChI: InChI=1S/C31H22Cl2FN3O6/c32-30-13-21-18(11-12-19-22(21)26(40)37(25(19)39)29(35)43)23(20-10-5-14-3-1-2-4-17(14)24(20)38)31(30,33)28(42)36(27(30)41)16-8-6-15(34)7-9-16/h1-11,19,21-23,38H,12-13H2,(H2,35,43)/t19-,21+,22-,23+,30+,31-/m0/s1
SMILES: C1=CC=C2C(C3=CC=CC=C3[C@@H]4[C@H](C2=C1)C4(F)F)[N+]5=CC=NC=C5.[Br-]
InChI: InChI=1S/C20H15F2N2.BrH/c21-20(22)17-13-5-1-3-7-15(13)19(24-11-9-23-10-12-24)16-8-4-2-6-14(16)18(17)20;/h1-12,17-19H;1H/q+1;/p-1/t17-,18+,19?;
SMILES: C1[C@@H]([C@@H](C(=C1CO)CO)CO)N2C=NC3=C(N=CN=C32)N
InChI: InChI=1S/C13H17N5O3/c14-12-11-13(16-5-15-12)18(6-17-11)10-1-7(2-19)8(3-20)9(10)4-21/h5-6,9-10,19-21H,1-4H2,(H2,14,15,16)/t9-,10+/m1/s1
SMILES: CCOC(=O)[C@@]12CC[C@@H](C1=O)[C@](C[C@H]2C3=CC=CC=C3)(C)O
InChI: InChI=1S/C18H22O4/c1-3-22-16(20)18-10-9-13(15(18)19)17(2,21)11-14(18)12-7-5-4-6-8-12/h4-8,13-14,21H,3,9-11H2,1-2H3/t13-,14-,17+,18+/m0/s1
SMILES: C[C@H]1CO[C@]2(O1)[C@@]3([C@@H]([C@@]3(C(=N2)N)C#N)C4=CC=CC=C4Cl)C#N
InChI: InChI=1S/C16H13ClN4O2/c1-9-6-22-16(23-9)15(8-19)12(10-4-2-3-5-11(10)17)14(15,7-18)13(20)21-16/h2-5,9,12H,6H2,1H3,(H2,20,21)/t9-,12+,14+,15+,16-/m0/s1
SMILES: COC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OCCN8CC8)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C46H61N3O11/c1-3-22-58-46-41(49(45(52)53-2)29-31-13-15-39-40(25-31)57-30-56-39)28-37(47-60-42-12-6-9-23-55-42)35-26-32(10-4-7-20-50)34(11-5-8-21-51)43(44(35)46)36-27-33(14-16-38(36)59-46)54-24-19-48-17-18-48/h3,13-16,25-27,32,34,41-44,50-51H,1,4-12,17-24,28-30H2,2H3/t32-,34+,41-,42?,43+,44+,46+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@]2([C@H]([C@@H]([C@@H](C(=S)N2)C#N)C3=CC=NC=C3)[N+]4=CC5=CC=CC=C5C=C4)O
InChI: InChI=1S/C26H20N4OS/c27-16-22-23(19-10-13-28-14-11-19)24(30-15-12-18-6-4-5-7-20(18)17-30)26(31,29-25(22)32)21-8-2-1-3-9-21/h1-15,17,22-24,31H/p+1/t22-,23+,24-,26-/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H18ClN3O6/c1-33-19-11-9-16(10-12-19)26-23(29)20-21(14-3-2-4-18(13-14)28(31)32)27(34-22(20)24(26)30)17-7-5-15(25)6-8-17/h2-13,20-22H,1H3/t20-,21-,22-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C[NH+](C)CC2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C19H30N2O3/c1-14-7-5-6-8-17(14)20-19(22)13-21(2)12-15-9-10-16(23-3)11-18(15)24-4/h9-11,14,17H,5-8,12-13H2,1-4H3,(H,20,22)/p+1/t14-,17-/m1/s1
SMILES: C=CCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)O
InChI: InChI=1S/C20H21N5O5/c1-2-8-29-16-15(27)13(9-26)30-20(16)25-11-23-14-17(21-10-22-18(14)25)24-19(28)12-6-4-3-5-7-12/h2-7,10-11,13,15-16,20,26-27H,1,8-9H2,(H,21,22,24,28)/t13-,15-,16-,20-/m1/s1
SMILES: C1[C@@H](C=C2[C@H](C1=O)[C@H](N3C(=NC=N3)N2)C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C21H17ClN4O/c22-16-8-6-13(7-9-16)15-10-17-19(18(27)11-15)20(14-4-2-1-3-5-14)26-21(25-17)23-12-24-26/h1-10,12,15,19-20H,11H2,(H,23,24,25)/t15-,19-,20-/m1/s1
SMILES: CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C1=O)C(=O)O
InChI: InChI=1S/C13H15NO6/c1-2-19-8(15)5-14-6-13-4-3-7(20-13)9(12(17)18)10(13)11(14)16/h3-4,7,9-10H,2,5-6H2,1H3,(H,17,18)/t7-,9-,10-,13-/m1/s1
SMILES: CO[C@]1(C[C@H]1C(=O)N/N=C\C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H24N2O3/c1-29-25(21-10-6-3-7-11-21)16-23(25)24(28)27-26-17-19-12-14-22(15-13-19)30-18-20-8-4-2-5-9-20/h2-15,17,23H,16,18H2,1H3,(H,27,28)/b26-17-/t23-,25+/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=C(C=C4)C
InChI: InChI=1S/C22H21NO3/c1-14-6-10-17(11-7-14)26-18-12-8-16(9-13-18)23-21(24)19-5-3-4-15(2)20(19)22(23)25/h3-4,6-13,15,19-20H,5H2,1-2H3/t15-,19-,20-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@]4([C@@]3(CC[C@@H](C4)Cl)C)Br)C
InChI: InChI=1S/C27H44BrClO/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(30)27(28)16-19(29)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-23H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25-,26-,27+/m1/s1
SMILES: C[C@H](CO)C(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OC2=C(C=C(C=C2)/C=C/CO)OC)O)O)O
InChI: InChI=1S/C20H28O10/c1-11(9-22)19(26)28-10-15-16(23)17(24)18(25)20(30-15)29-13-6-5-12(4-3-7-21)8-14(13)27-2/h3-6,8,11,15-18,20-25H,7,9-10H2,1-2H3/b4-3+/t11-,15-,16-,17-,18-,20+/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)OC(C2=CC(=C(C=C2)O)OC)C(CO)OC3=CC=CC=C3OC)O
InChI: InChI=1S/C23H30O10/c1-28-16-6-4-5-7-17(16)32-19(11-24)21(13-8-9-14(25)18(10-13)29-2)33-22-15(26)12-31-23(30-3)20(22)27/h4-10,15,19-27H,11-12H2,1-3H3/t15-,19?,20-,21?,22+,23-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)Cl)OC(=O)C
InChI: InChI=1S/C20H28ClNO12/c1-9(23)22-16-14(31-11(3)25)7-20(21,19(28)29-6)34-18(16)17(33-13(5)27)15(32-12(4)26)8-30-10(2)24/h14-18H,7-8H2,1-6H3,(H,22,23)/t14-,15+,16+,17-,18+,20+/m0/s1
SMILES: COC1=C2C(=C(C=C1)/C=C/C(=O)O)[C@H]([C@@H](O2)C3=CC(=C(C=C3)O)O)C(=O)OC
InChI: InChI=1S/C20H18O8/c1-26-14-7-4-10(5-8-15(23)24)16-17(20(25)27-2)18(28-19(14)16)11-3-6-12(21)13(22)9-11/h3-9,17-18,21-22H,1-2H3,(H,23,24)/b8-5+/t17-,18+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4CCCCO4)CC(=O)C5=C3C=CC(=C5)OC6CCCCO6
InChI: InChI=1S/C28H38O5/c1-28-13-12-20-19-9-8-18(32-26-6-2-4-14-30-26)16-22(19)24(29)17-21(20)23(28)10-11-25(28)33-27-7-3-5-15-31-27/h8-9,16,20-21,23,25-27H,2-7,10-15,17H2,1H3/t20-,21-,23+,25+,26?,27?,28+/m1/s1
SMILES: CCOCC(=O)N(C[C@@H]1CC[C@H]2C[C@@H]1C2(C)C)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=CC=CC=C45)C(=O)NCCO
InChI: InChI=1S/C29H40N2O6/c1-4-36-16-24(33)31(15-17-9-10-18-13-21(17)29(18,2)3)22-14-20(28(35)30-11-12-32)25-19-7-5-6-8-23(19)37-27(25)26(22)34/h5-8,14,17-18,21-22,25-27,32,34H,4,9-13,15-16H2,1-3H3,(H,30,35)/t17-,18-,21-,22+,25-,26-,27-/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=C(C=C(C=C6)Cl)Cl
InChI: InChI=1S/C29H19Cl2NO7/c1-2-38-28(37)14-7-10-16(11-8-14)32-26(35)21-22(27(32)36)29(24(33)17-5-3-4-6-18(17)25(29)34)39-23(21)19-12-9-15(30)13-20(19)31/h3-13,21-23H,2H2,1H3/t21-,22+,23+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]([C@@H]([C@H]([C@@H](CO)O)O)O)O)O)O)O)O
InChI: InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4-,5+,6-,7+,8+,9-,10+,11-,12-/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)CNC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN(C)[C@@H](C)C5=CC=CC=C5
InChI: InChI=1S/C40H47N3O6/c1-27-36(25-43(3)28(2)32-13-9-6-10-14-32)48-39(49-37(27)33-19-17-31(26-44)18-20-33)34-21-15-30(16-22-34)24-41-40(46)42-35(38(45)47-4)23-29-11-7-5-8-12-29/h5-22,27-28,35-37,39,44H,23-26H2,1-4H3,(H2,41,42,46)/t27-,28+,35+,36+,37+,39+/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)CNC(=O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C18H23BrN2O2/c19-16-7-5-14(6-8-16)18(23)20-11-17(22)21-10-9-13-3-1-2-4-15(13)12-21/h5-8,13,15H,1-4,9-12H2,(H,20,23)/t13-,15-/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=C(C=C8)OCC9=CC=CC=C9)O)C(=O)N(C7=O)C)C
InChI: InChI=1S/C42H37ClN4O6S/c1-21-28-16-23(43)10-15-33(28)54-37(21)31-19-34(46(4)44-31)47-39(50)30-18-29-25(13-14-27-35(29)40(51)45(3)38(27)49)36(42(30,2)41(47)52)26-12-11-24(17-32(26)48)53-20-22-8-6-5-7-9-22/h5-13,15-17,19,27,29-30,35-36,48H,14,18,20H2,1-4H3/t27-,29+,30-,35-,36+,42+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)C(=O)O
InChI: InChI=1S/C19H24N2O5/c22-17(13-5-1-2-6-14(13)19(24)25)20-16-8-4-3-7-15(16)18(23)21-9-11-26-12-10-21/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,20,22)(H,24,25)/t13-,14-/m1/s1
SMILES: CCC(CC)C([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)OC)N=C(N)NC(=O)C(CC2=CC=CC=C2)N)NC(=O)C
InChI: InChI=1S/C25H39N5O5/c1-5-16(6-2)21(28-14(3)31)20-19(13-17(22(20)32)24(34)35-4)29-25(27)30-23(33)18(26)12-15-10-8-7-9-11-15/h7-11,16-22,32H,5-6,12-13,26H2,1-4H3,(H,28,31)(H3,27,29,30,33)/t17-,18?,19+,20+,21?,22+/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C=C(C=C5)O)OC)C(=O)C=C(C4=O)C
InChI: InChI=1S/C26H25NO6/c1-4-27-25(31)16-8-7-14-17(22(16)26(27)32)11-18-23(19(29)9-12(2)24(18)30)21(14)15-6-5-13(28)10-20(15)33-3/h5-7,9-10,16-17,21-22,28H,4,8,11H2,1-3H3/t16-,17+,21+,22-/m0/s1
SMILES: C1CCN2CCC[C@@H]([C@@H]2C1)COC(=O)COC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C18H23Cl2NO3/c19-14-6-7-17(15(20)10-14)23-12-18(22)24-11-13-4-3-9-21-8-2-1-5-16(13)21/h6-7,10,13,16H,1-5,8-9,11-12H2/t13-,16+/m1/s1
SMILES: CC1=C2C(=C(C=C1)C(=O)OC)[C@H]3C=CC[C@@H]3[C@H](N2)C4=CC(=CC=C4)Br
InChI: InChI=1S/C21H20BrNO2/c1-12-9-10-17(21(24)25-2)18-15-7-4-8-16(15)20(23-19(12)18)13-5-3-6-14(22)11-13/h3-7,9-11,15-16,20,23H,8H2,1-2H3/t15-,16-,20+/m0/s1
SMILES: CC(C)SC1=NC2=C(C=CC=C2Cl)C(=C1)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@@H]5/C=C\CCCC[C@@H](CC(=O)N4C3)NC(=O)OC6CCCC6)C(=O)O
InChI: InChI=1S/C36H45ClN4O7S/c1-21(2)49-30-18-29(26-14-9-15-27(37)32(26)39-30)47-25-17-28-33(43)40-36(34(44)45)19-22(36)10-5-3-4-6-11-23(16-31(42)41(28)20-25)38-35(46)48-24-12-7-8-13-24/h5,9-10,14-15,18,21-25,28H,3-4,6-8,11-13,16-17,19-20H2,1-2H3,(H,38,46)(H,40,43)(H,44,45)/b10-5-/t22-,23-,25+,28-,36+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3Br)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H39BrN4O3Si2/c1-21(2,3)31(7,8)28-12-16-15(30-32(9,10)22(4,5)6)11-17(29-16)27-14-26-18-19(23)24-13-25-20(18)27/h13-17H,11-12H2,1-10H3/t15-,16+,17+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1[C@H]2[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@H]5C[C@@H](C(=C1C5(C)C)C)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC(O2)(C)C)C
InChI: InChI=1S/C38H56O9Si/c1-11-48(12-2,13-3)47-31-29-22(4)26(40)19-25(35(29,6)7)30(43-34(41)24-17-15-14-16-18-24)32-37(10)27(45-36(8,9)46-33(31)37)20-28-38(32,21-42-28)44-23(5)39/h14-18,25-28,30-33,40H,11-13,19-21H2,1-10H3/t25-,26-,27-,28+,30+,31+,32-,33-,37+,38-/m0/s1
SMILES: CCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C21H38O16/c1-2-3-32-20-17(14(29)11(26)8(5-23)34-20)37-21-18(15(30)12(27)9(6-24)35-21)36-19-16(31)13(28)10(25)7(4-22)33-19/h7-31H,2-6H2,1H3/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17+,18+,19-,20+,21-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F
InChI: InChI=1S/C19H27FN2O4S/c1-13-4-3-5-18(14(13)2)21-19(23)16-12-15(6-7-17(16)20)27(24,25)22-8-10-26-11-9-22/h6-7,12-14,18H,3-5,8-11H2,1-2H3,(H,21,23)/t13-,14+,18+/m1/s1
SMILES: CCCCC#CC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C17H20N2O5/c1-2-3-4-5-6-12-7-11-9-19(17(22)18-16(11)23-12)15-8-13(21)14(10-20)24-15/h7,9,13-15,20-21H,2-4,8,10H2,1H3/t13-,14+,15+/m0/s1
SMILES: CCC1=CC(=C(C=C1O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O)C3=C(C=NN3)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C24H26N2O9/c1-2-11-5-13(20-14(8-25-26-20)12-3-4-16-18(6-12)33-10-32-16)15(28)7-17(11)34-24-23(31)22(30)21(29)19(9-27)35-24/h3-8,19,21-24,27-31H,2,9-10H2,1H3,(H,25,26)/t19-,21-,22+,23+,24+/m0/s1
SMILES: CC(C)[C@H](C(=O)OC)NC(=O)C1=C[C@H]([C@H]([C@@H](C1)O)O)NC(=O)CC2=CC=CS2
InChI: InChI=1S/C19H26N2O6S/c1-10(2)16(19(26)27-3)21-18(25)11-7-13(17(24)14(22)8-11)20-15(23)9-12-5-4-6-28-12/h4-7,10,13-14,16-17,22,24H,8-9H2,1-3H3,(H,20,23)(H,21,25)/t13-,14-,16-,17-/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](CCC2=CC=C(S2)C#N)O)C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C22H29NO5S/c23-14-17-11-10-16(29-17)9-7-15(24)8-12-19-18(20(25)13-21(19)26)5-3-1-2-4-6-22(27)28/h1,3,8,10-12,15,18-21,24-26H,2,4-7,9,13H2,(H,27,28)/b3-1-,12-8+/t15-,18+,19+,20-,21+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O
InChI: InChI=1S/C23H28O7/c1-16(24)27-15-19-20(25)21(28-13-17-9-5-3-6-10-17)22(23(26-2)30-19)29-14-18-11-7-4-8-12-18/h3-12,19-23,25H,13-15H2,1-2H3/t19-,20+,21+,22-,23+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1CC(=O)[C@]2([C@H]3C1=C([C@H](O3)C=C2O[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC)Br
InChI: InChI=1S/C30H51BrO6Si2/c1-16(2)38(17(3)4,18(5)6)36-23-14-24(32)30(31)25(37-39(19(7)8,20(9)10)21(11)12)15-22-27(29(33)34-13)26(23)28(30)35-22/h15-23,28H,14H2,1-13H3/t22-,23+,28-,30+/m1/s1
SMILES: CC(CC1=C(C(=O)C2=C(O1)C3=CC=CC=C3C4=C2[C@@H]5[C@H](O4)CC(=O)O5)[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H38O6Si2/c1-16(35-37(8,9)29(2,3)4)14-20-28(36(5,6)7)24(31)22-23-26(32-19-15-21(30)34-27(19)23)18-13-11-10-12-17(18)25(22)33-20/h10-13,16,19,27H,14-15H2,1-9H3/t16?,19-,27+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=COC6=C(C5)C=C(C=C6)O)C(=O)N(C4=O)CCCCCC(=O)O)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C36H36N2O8/c1-36-27(33(43)38(35(36)45)22-8-4-2-5-9-22)18-26-24(31(36)21-16-20-17-23(39)11-14-28(20)46-19-21)12-13-25-30(26)34(44)37(32(25)42)15-7-3-6-10-29(40)41/h2,4-5,8-9,11-12,14,17,19,25-27,30-31,39H,3,6-7,10,13,15-16,18H2,1H3,(H,40,41)/t25-,26+,27-,30-,31-,36+/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C4=C5CCCC5)C
InChI: InChI=1S/C22H23NO2/c1-12-7-10-17(13(2)11-12)23-21(24)19-15-8-9-16(20(19)22(23)25)18(15)14-5-3-4-6-14/h7-11,15-16,19-20H,3-6H2,1-2H3/t15-,16+,19-,20-/m0/s1
SMILES: C[C@]1(CC(=O)[C@H]([C@@H]([C@@H]1C(=O)OC(C)(C)C)/C=C/C2=CC=CC=C2)C(=O)OC(C)(C)C)O
InChI: InChI=1S/C25H34O6/c1-23(2,3)30-21(27)19-17(14-13-16-11-9-8-10-12-16)20(22(28)31-24(4,5)6)25(7,29)15-18(19)26/h8-14,17,19-20,29H,15H2,1-7H3/b14-13+/t17-,19-,20+,25+/m0/s1
SMILES: CC(C)C(=O)NC1=NC(=CS1)C2=NC3=C(C=C(C=C3Cl)Br)C(=C2)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O
InChI: InChI=1S/C39H46BrClN6O8S/c1-7-20-16-39(20,35(51)52)46-33(49)28-14-23(17-47(28)34(50)31(38(4,5)6)44-37(53)55-22-10-8-9-11-22)54-29-15-26(42-30-24(29)12-21(40)13-25(30)41)27-18-56-36(43-27)45-32(48)19(2)3/h7,12-13,15,18-20,22-23,28,31H,1,8-11,14,16-17H2,2-6H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t20-,23-,28+,31-,39-/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@H](O[C@H]([C@H]2O1)SC3=CC=CC=C3)CO)O)C
InChI: InChI=1S/C15H20O5S/c1-15(2)19-12-11(17)10(8-16)18-14(13(12)20-15)21-9-6-4-3-5-7-9/h3-7,10-14,16-17H,8H2,1-2H3/t10-,11-,12+,13+,14+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)NC2=N[C@H]3[C@@H](O2)[C@@H]([C@H]([C@]3(CO)O)O)O)O)O)O)O
InChI: InChI=1S/C13H22N2O10/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4-,5+,6-,7+,8+,9+,10-,11+,13-/m1/s1
SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)O)O3
InChI: InChI=1S/C16H17NO5/c1-2-21-10-5-3-9(4-6-10)17-15(18)13-11-7-8-12(22-11)14(13)16(19)20/h3-8,11-14H,2H2,1H3,(H,17,18)(H,19,20)/t11-,12+,13-,14-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H26N2O4/c1-17-7-5-6-14-24(17)22(28)26(23(29)25-24)15-21(27)30-16-18-10-12-20(13-11-18)19-8-3-2-4-9-19/h2-4,8-13,17H,5-7,14-16H2,1H3,(H,25,29)/t17-,24+/m0/s1
SMILES: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2(C3C1C4C=C[C@]5([C@]4(CC3)C)CCC(=O)O5)C
InChI: InChI=1S/C24H30O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h6,10,12,17-19,21H,4-5,7-9,11,13H2,1-3H3/t17?,18?,19-,21?,22+,23+,24-/m1/s1
SMILES: CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)[C@H]3CCNC[C@@H]3C(=O)N(CC4=C(C=CC(=C4)CCNC)Cl)C5CC5)Cl
InChI: InChI=1S/C34H40Cl3N3O3/c1-22-17-31(36)33(32(37)18-22)43-16-15-42-27-8-4-24(5-9-27)28-12-14-39-20-29(28)34(41)40(26-6-7-26)21-25-19-23(11-13-38-2)3-10-30(25)35/h3-5,8-10,17-19,26,28-29,38-39H,6-7,11-16,20-21H2,1-2H3/t28-,29+/m1/s1
SMILES: CC(C)C1=C(C=C2C(=C1)C=C[C@@H]3[C@@]2(CCCC3(C)C)C)OC
InChI: InChI=1S/C21H30O/c1-14(2)16-12-15-8-9-19-20(3,4)10-7-11-21(19,5)17(15)13-18(16)22-6/h8-9,12-14,19H,7,10-11H2,1-6H3/t19-,21+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)C4=CC=CN4C)C)[C@H](C)C(=O)N5CCCC5)O
InChI: InChI=1S/C26H36N4O3S/c1-15(24(33)30-12-5-6-13-30)17-9-10-26(3)14-19-21(16(2)20(26)22(17)31)27-25(34-19)28-23(32)18-8-7-11-29(18)4/h7-8,11,15-17,20,22,31H,5-6,9-10,12-14H2,1-4H3,(H,27,28,32)/t15-,16-,17-,20+,22-,26-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]([C@@H]([C@@H]2C=C=C)CCCO)C3=CC=CC=C3
InChI: InChI=1S/C23H27NO3S/c1-3-8-23-21(11-7-16-25)22(19-9-5-4-6-10-19)17-24(23)28(26,27)20-14-12-18(2)13-15-20/h4-6,8-10,12-15,21-23,25H,1,7,11,16-17H2,2H3/t21-,22-,23-/m0/s1