EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)N7CCOCC7)C(=O)N(C3=O)C8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C42H44N4O9/c1-52-33-21-24(22-34(53-2)38(33)47)35-29-11-12-30-36(41(50)45(39(30)48)27-7-3-25(4-8-27)43-13-17-54-18-14-43)31(29)23-32-37(35)42(51)46(40(32)49)28-9-5-26(6-10-28)44-15-19-55-20-16-44/h3-11,21-22,30-32,35-37,47H,12-20,23H2,1-2H3/t30-,31+,32+,35-,36-,37+/m0/s1
SMILES: CC1C[C@H]([C@H]2[S+]1C[C@H]([C@@H]2O)O)O.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C8H15O3S.CHF3O3S/c1-4-2-5(9)8-7(11)6(10)3-12(4)8;2-1(3,4)8(5,6)7/h4-11H,2-3H2,1H3;(H,5,6,7)/q+1;/p-1/t4?,5-,6-,7+,8-,12?;/m1./s1
SMILES: C[C@H](CC(C(=O)C(C)(C)O)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/C27H42O5/c1-16(13-24(30)25(31)26(3,4)32)21-10-11-22-18(7-6-12-27(21,22)5)8-9-19-14-20(28)15-23(29)17(19)2/h8-9,16,20-24,28-30,32H,2,6-7,10-15H2,1,3-5H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24?,27-/m1/s1
SMILES: C[C@@H]1CC[C@@]2(C([C@@]1(C)CC/C(=C/CN3C=NC4=C3C(=N)N(CN4C)C)/C)CCCC2(C)C)O
InChI: InChI=1S/C27H45N5O/c1-19(12-16-32-17-29-24-22(32)23(28)30(6)18-31(24)7)10-14-26(5)20(2)11-15-27(33)21(26)9-8-13-25(27,3)4/h12,17,20-21,28,33H,8-11,13-16,18H2,1-7H3/b19-12+,28-23?/t20-,21?,26+,27+/m1/s1
SMILES: C/C=C(\C)/C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C([C@@]3(OC)OC(=O)C)C(=C(C=C4[C@H]5C[C@H]([C@@H]([C@H](O5)C)OC(=O)C)N(C)C)[C@H]6C[C@]([C@@H]([C@@H](O6)C)OC(=O)C)(C)N(C)C)O
InChI: InChI=1S/C46H58N2O13/c1-15-21(2)33-19-32(52)36-22(3)16-30-38(43(36)60-33)46(55-14,61-27(8)51)39-37(40(30)53)28(34-18-31(47(10)11)42(23(4)56-34)58-25(6)49)17-29(41(39)54)35-20-45(9,48(12)13)44(24(5)57-35)59-26(7)50/h15-17,19,23-24,31,34-35,42,44,54H,18,20H2,1-14H3/b21-15+/t23-,24+,31-,34-,35-,42-,44-,45+,46+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C=N/NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI: InChI=1S/C21H26N8O4/c1-28(2)13-7-5-12(6-8-13)4-3-9-24-27-21-25-18(22)15-19(26-21)29(11-23-15)20-17(32)16(31)14(10-30)33-20/h3-9,11,14,16-17,20,30-32H,10H2,1-2H3,(H3,22,25,26,27)/b4-3+,24-9+/t14-,16-,17-,20-/m1/s1
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4[C@@]5([C@@]3(CC[C@@H](C5)OS(=O)(=O)C)C)O4)C)C(C)C
InChI: InChI=1S/C30H50O4S/c1-8-21(19(2)3)10-9-20(4)24-11-12-25-23-17-27-30(33-27)18-22(34-35(7,31)32)13-16-29(30,6)26(23)14-15-28(24,25)5/h9-10,19-27H,8,11-18H2,1-7H3/b10-9+/t20-,21-,22+,23+,24-,25+,26+,27+,28-,29-,30+/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)I)C4=CC=CC=C4Br
InChI: InChI=1S/C18H15BrIN/c19-16-7-2-1-4-14(16)18-13-6-3-5-12(13)15-10-11(20)8-9-17(15)21-18/h1-5,7-10,12-13,18,21H,6H2/t12-,13+,18-/m1/s1
SMILES: CCOC(=S)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)O)OC(=O)C)N=[N+]=[N-]
InChI: InChI=1S/C18H23N3O6S2/c1-3-25-18(28)29-17-14(20-21-19)16(26-11(2)22)15(23)13(27-17)10-24-9-12-7-5-4-6-8-12/h4-8,13-17,23H,3,9-10H2,1-2H3/t13-,14-,15+,16-,17+/m1/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@@H]([C@H](C5=CC=CC=C5)NC(=O)CCCCC=C)O)O)OC(=O)C6=CC=CC(=C6)CC=C)(CO4)OC(=O)C)O)C)O
InChI: InChI=1S/C48H59NO13/c1-8-10-11-15-22-35(52)49-37(30-19-13-12-14-20-30)39(54)44(57)60-32-25-48(58)42(61-43(56)31-21-16-18-29(23-31)17-9-2)40-46(7,41(55)38(53)36(27(32)3)45(48,5)6)33(51)24-34-47(40,26-59-34)62-28(4)50/h8-9,12-14,16,18-21,23,32-34,37-40,42,51,53-54,58H,1-2,10-11,15,17,22,24-26H2,3-7H3,(H,49,52)/t32-,33-,34+,37-,38+,39+,40-,42-,46+,47-,48+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@@H]2C[C@H]2/C(=N\OCC3=C(C=CC=C3Cl)Cl)/C
InChI: InChI=1S/C21H23Cl2NO/c1-13(2)15-7-9-16(10-8-15)18-11-17(18)14(3)24-25-12-19-20(22)5-4-6-21(19)23/h4-10,13,17-18H,11-12H2,1-3H3/b24-14-/t17-,18-/m0/s1
SMILES: C[C@@H]1C[C@]2(C[C@@H]([C@@H]1C(=O)O[C@@H](C)CCCC(C)C)C(=O)O2)C
InChI: InChI=1S/C18H30O4/c1-11(2)7-6-8-13(4)21-17(20)15-12(3)9-18(5)10-14(15)16(19)22-18/h11-15H,6-10H2,1-5H3/t12-,13+,14+,15-,18+/m1/s1
SMILES: COCO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC(=NN5C=C4)NC(=O)N)C(=O)[O-]
InChI: InChI=1S/C21H21N11O7S2/c1-38-8-39-28-12(15-26-21(23)41-29-15)16(33)25-13-17(34)32-14(19(35)36)9(7-40-18(13)32)6-30-4-5-31-11(30)3-2-10(27-31)24-20(22)37/h2-5,13,18H,6-8H2,1H3,(H6-,22,23,24,25,26,27,29,33,35,36,37)/b28-12-/t13-,18-/m1/s1
SMILES: CC(C)(C)[C@@H](CN(C)S(=O)(=O)C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CC4)C(=O)C(=O)N)CCC35CC5
InChI: InChI=1S/C34H56N6O7S/c1-33(2,3)25(19-39(4)48(5,46)47)37-32(45)38-26(21-9-7-6-8-10-21)31(44)40-18-23-22(13-14-34(23)15-16-34)27(40)30(43)36-24(17-20-11-12-20)28(41)29(35)42/h20-27H,6-19H2,1-5H3,(H2,35,42)(H,36,43)(H2,37,38,45)/t22-,23-,24?,25+,26-,27-/m0/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCCSC5=CC=CC=C5)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC6=CC=CC=C6
InChI: InChI=1S/C52H70N2O9S/c1-6-26-54(50(57)60-31-30-58-37-38-18-10-8-11-19-38)47-36-45(53-63-51(3,4)5)43-34-39(20-14-16-27-55)42(23-15-17-28-56)48-44-35-40(59-32-33-64-41-21-12-9-13-22-41)24-25-46(44)62-52(47,49(43)48)61-29-7-2/h7-13,18-19,21-22,24-25,34-35,39,42,47-49,55-56H,2,6,14-17,20,23,26-33,36-37H2,1,3-5H3/t39-,42+,47-,48+,49+,52+/m0/s1
SMILES: C1[C@@H]([C@@H](C2=CC=CC=C2O1)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)O
InChI: InChI=1S/C29H25NO3/c31-23-17-15-20(16-18-23)25-19-33-26-14-8-7-13-24(26)28(25)30-29(32)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18,25,27-28,31H,19H2,(H,30,32)/t25-,28-/m1/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(C[C@H](C/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)C
InChI: InChI=1S/C39H72O4Si2/c1-27(17-16-22-38(9,10)41)33-20-21-34-30(23-31(40)26-39(33,34)11)19-18-29-24-32(42-44(12,13)36(3,4)5)25-35(28(29)2)43-45(14,15)37(6,7)8/h18-19,27,31-35,40-41H,2,16-17,20-26H2,1,3-15H3/b29-18-,30-19+/t27-,31+,32-,33-,34+,35+,39-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C3=C(C(=NC(=N3)NC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OCC7=CC=CC=C7)N=C2N=[N+]=[N-])OC(=O)C
InChI: InChI=1S/C42H40N8O8/c1-26(51)55-25-35-34(57-27(2)52)23-36(58-35)50-38-37(44-41(50)48-49-43)39(56-24-28-11-7-5-8-12-28)46-40(45-38)47-42(29-13-9-6-10-14-29,30-15-19-32(53-3)20-16-30)31-17-21-33(54-4)22-18-31/h5-22,34-36H,23-25H2,1-4H3,(H,45,46,47)/t34-,35+,36+/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)C4=CC=CC(=C4)CNC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6)CN(CC=C)C7CCCC7
InChI: InChI=1S/C47H51N3O5/c1-3-28-50(41-12-7-8-13-41)31-44-33(2)45(37-18-16-34(32-51)17-19-37)55-46(54-44)38-22-20-36(21-23-38)39-11-9-10-35(29-39)30-48-47(52)49-40-24-26-43(27-25-40)53-42-14-5-4-6-15-42/h3-6,9-11,14-27,29,33,41,44-46,51H,1,7-8,12-13,28,30-32H2,2H3,(H2,48,49,52)/t33-,44+,45+,46+/m1/s1
SMILES: C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)O)OC(=O)C=C)(C)C)O[Si](C)(C)C(C)(C)C)C)O)C=C
InChI: InChI=1S/C29H48O7Si/c1-13-20(31)34-21-22-25(6,7)16-15-19(35-37(11,12)24(3,4)5)27(22,9)29(33)18(30)17-26(8,14-2)36-28(29,10)23(21)32/h13-14,19,21-23,32-33H,1-2,15-17H2,3-12H3/t19-,21-,22-,23-,26-,27-,28+,29-/m0/s1
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CC[C@@H]4CCCC[C@H]4C3
InChI: InChI=1S/C21H29ClN2O3S/c22-20-9-8-18(28(26,27)24-11-4-1-5-12-24)14-19(20)21(25)23-13-10-16-6-2-3-7-17(16)15-23/h8-9,14,16-17H,1-7,10-13,15H2/t16-,17-/m0/s1
SMILES: C[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)NC(=O)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C21H34Cl3N3O11/c1-9(17(33)38-20(3,4)5)25-16(32)11(27-19(34)36-8-21(22,23)24)7-35-18-13(26-10(2)29)15(31)14(30)12(6-28)37-18/h9,11-15,18,28,30-31H,6-8H2,1-5H3,(H,25,32)(H,26,29)(H,27,34)/t9-,11-,12+,13+,14+,15+,18+/m0/s1
SMILES: CC(C)(C)C(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C4=CC=CC=C4C=C3)C(=O)N(C2=O)C
InChI: InChI=1S/C20H22N2O3/c1-20(2,3)17(23)16-15-14(18(24)21(4)19(15)25)13-10-9-11-7-5-6-8-12(11)22(13)16/h5-10,13-16H,1-4H3/t13-,14-,15-,16+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)NC4CC4
InChI: InChI=1S/C24H32N2O4/c1-15-7-6-10-20(16(15)2)26-14-18(13-21(26)27)24(29)30-22(17-8-4-3-5-9-17)23(28)25-19-11-12-19/h3-5,8-9,15-16,18-20,22H,6-7,10-14H2,1-2H3,(H,25,28)/t15-,16-,18-,20+,22+/m1/s1
SMILES: C[C@@H]1C=CC[C@@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC=C3C(=O)NC4=CC(=CC=C4)OC
InChI: InChI=1S/C23H22N2O4/c1-14-7-5-11-18-20(14)23(28)25(22(18)27)19-12-4-3-10-17(19)21(26)24-15-8-6-9-16(13-15)29-2/h3-10,12-14,18,20H,11H2,1-2H3,(H,24,26)/t14-,18-,20+/m1/s1
SMILES: COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N(C(=O)[C@]34[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)C(=O)OCC9=CC=C(C=C9)[N+](=O)[O-]
InChI: InChI=1S/C55H46N4O11/c1-3-30-56-51(61)46-48-52(62)70-49(39-12-8-5-9-13-39)47(38-10-6-4-7-11-38)58(48)50(40-21-27-43(28-22-40)68-32-31-60)55(46)44-33-36(15-14-35-18-25-42(67-2)26-19-35)20-29-45(44)57(53(55)63)54(64)69-34-37-16-23-41(24-17-37)59(65)66/h3-13,16-29,33,46-50,60H,1,30-32,34H2,2H3,(H,56,61)/t46-,47-,48-,49+,50+,55-/m0/s1
SMILES: C=CCCOC(=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)OCC=C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C48H62N2O11/c1-4-7-25-56-47(53)50(31-33-17-19-41-42(27-33)58-32-57-41)43-30-39(49-61-44-16-10-13-26-55-44)37-28-34(14-8-11-21-51)36(15-9-12-22-52)45-38-29-35(54-23-5-2)18-20-40(38)60-48(43,46(37)45)59-24-6-3/h4-6,17-20,27-29,34,36,43-46,51-52H,1-3,7-16,21-26,30-32H2/t34-,36+,43-,44?,45+,46+,48+/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)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(26-46-20-19-35-22-39(51-2)40(52-3)23-36(35)25-46)53-45(54-42(28)32-13-11-29(27-48)12-14-32)33-17-15-31(16-18-33)34-8-6-7-30(21-34)24-47-43(49)37-9-4-5-10-38(37)44(47)50/h4-18,21-23,28,41-42,45,48H,19-20,24-27H2,1-3H3/t28-,41+,42+,45+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@H]2C(=O)C[C@]4([C@@H]3CC[C@]45[C@@]6(COCO6)OCO5)C
InChI: InChI=1S/C23H30O6/c1-20-7-5-15(24)9-14(20)3-4-16-17-6-8-22(21(17,2)10-18(25)19(16)20)23(29-13-27-22)11-26-12-28-23/h9,16-17,19H,3-8,10-13H2,1-2H3/t16-,17+,19-,20-,21-,22+,23+/m0/s1
SMILES: C1[C@H]([C@H]([C@H]([C@H](O1)NC2=CC=CC(=C2)C(=O)[O-])O)O)O
InChI: InChI=1S/C12H15NO6/c14-8-5-19-11(10(16)9(8)15)13-7-3-1-2-6(4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)/p-1/t8-,9-,10-,11+/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)[C@@H](C(=O)OC)NC(=O)OCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC)C
InChI: InChI=1S/C26H31NO9/c1-26(2)35-22-21(32-14-17-10-12-18(30-3)13-11-17)20(34-24(22)36-26)19(23(28)31-4)27-25(29)33-15-16-8-6-5-7-9-16/h5-13,19-22,24H,14-15H2,1-4H3,(H,27,29)/t19-,20+,21+,22+,24+/m0/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](O[C@H]2OC3=C(OC4=C(C(=CC(=C4C3=O)O)O)CC=C(C)C)C5=CC=C(C=C5)OC)C)O)O)O)O)O
InChI: InChI=1S/C33H40O14/c1-13(2)6-11-18-19(34)12-20(35)21-24(38)30(28(45-29(18)21)16-7-9-17(42-5)10-8-16)46-33-31(26(40)23(37)15(4)44-33)47-32-27(41)25(39)22(36)14(3)43-32/h6-10,12,14-15,22-23,25-27,31-37,39-41H,11H2,1-5H3/t14-,15-,22-,23-,25+,26+,27+,31+,32-,33-/m0/s1
SMILES: COC(=O)[C@@H]1[C@H]2[C@@H](CCO[C@H]2OC1=O)C3=CC=CC=C3
InChI: InChI=1S/C15H16O5/c1-18-13(16)12-11-10(9-5-3-2-4-6-9)7-8-19-15(11)20-14(12)17/h2-6,10-12,15H,7-8H2,1H3/t10-,11+,12-,15-/m0/s1
SMILES: CC1=C[C@@H]([C@H]([C@]2(C1C[C@@H]3[C@]45C2C(C([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C29H40O16/c1-9-5-12(43-25-17(34)16(33)15(32)13(7-30)44-25)22(36)27(3)11(9)6-14-28-8-41-29(26(39)40-4,23(37)18(35)20(27)28)21(28)19(24(38)45-14)42-10(2)31/h5,11-23,25,30,32-37H,6-8H2,1-4H3/t11?,12-,13+,14+,15+,16-,17+,18?,19+,20?,21+,22+,23?,25+,27-,28+,29-/m0/s1
SMILES: CC(=O)OC1=CC=C(C=C1)C2CCC3=C(O2)C(=C(C=C3O)OC)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C52H52O10/c1-35(53)60-41-25-23-40(24-26-41)44-28-27-42-43(54)29-45(55-2)47(48(42)61-44)50-52(59-33-39-21-13-6-14-22-39)51(58-32-38-19-11-5-12-20-38)49(57-31-37-17-9-4-10-18-37)46(62-50)34-56-30-36-15-7-3-8-16-36/h3-26,29,44,46,49-52,54H,27-28,30-34H2,1-2H3/t44?,46-,49-,50+,51+,52+/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C23H24N2O4/c26-22(11-16-10-14-5-6-15(16)9-14)25-19-4-2-1-3-18(19)23(27)24-17-7-8-20-21(12-17)29-13-28-20/h1-4,7-8,12,14-16H,5-6,9-11,13H2,(H,24,27)(H,25,26)/t14-,15+,16-/m0/s1
SMILES: C1=CC(=CN=C1)C(=O)[C@H]2[C@H](NC(=O)N[C@@]2(C(F)(F)F)O)C3=CC=C(C=C3)C(=O)O
InChI: InChI=1S/C18H14F3N3O5/c19-18(20,21)17(29)12(14(25)11-2-1-7-22-8-11)13(23-16(28)24-17)9-3-5-10(6-4-9)15(26)27/h1-8,12-13,29H,(H,26,27)(H2,23,24,28)/t12-,13-,17-/m1/s1
SMILES: CCOC1=C(C=C(C=C1Br)[C@H]2[C@H](CCC(=O)N2)[N+](=O)[O-])OC
InChI: InChI=1S/C14H17BrN2O5/c1-3-22-14-9(15)6-8(7-11(14)21-2)13-10(17(19)20)4-5-12(18)16-13/h6-7,10,13H,3-5H2,1-2H3,(H,16,18)/t10-,13-/m0/s1
SMILES: COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)O)OC)OC
InChI: InChI=1S/C15H22O5S/c1-17-9-11-13(18-2)14(19-3)12(16)15(20-11)21-10-7-5-4-6-8-10/h4-8,11-16H,9H2,1-3H3/t11-,12-,13-,14-,15+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCC4=CC=CS4)N=C(S3)NC(=O)CSC)(C)CO)O
InChI: InChI=1S/C24H33N3O4S3/c1-23-7-6-18(29)24(2,13-28)17(23)10-16-21(27-22(34-16)26-20(31)12-32-3)15(23)9-19(30)25-11-14-5-4-8-33-14/h4-5,8,15,17-18,28-29H,6-7,9-13H2,1-3H3,(H,25,30)(H,26,27,31)/t15-,17+,18-,23+,24+/m1/s1
SMILES: C[C@@H]1CCC2CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(C[C@H]([C@H](C5(C)C)O)O)C)C)C2[C@]1(C)O)C
InChI: InChI=1S/C29H48O3/c1-17-8-9-18-12-14-27(5)19(23(18)29(17,7)32)10-11-22-26(4)16-20(30)24(31)25(2,3)21(26)13-15-28(22,27)6/h10,17-18,20-24,30-32H,8-9,11-16H2,1-7H3/t17-,18?,20-,21?,22?,23?,24-,26+,27-,28-,29-/m1/s1
SMILES: C[C@@]1([C@H](C=CC2=CC=CC=C21)[Si](C)(C)C3=CC=CC=C3)C=O
InChI: InChI=1S/C20H22OSi/c1-20(15-21)18-12-8-7-9-16(18)13-14-19(20)22(2,3)17-10-5-4-6-11-17/h4-15,19H,1-3H3/t19-,20+/m0/s1
SMILES: CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)S(=O)(=O)C5CCCCC5
InChI: InChI=1S/C29H44O5S/c1-18(30)27-26(35(32,33)22-8-6-5-7-9-22)17-25-23-11-10-20-16-21(34-19(2)31)12-14-28(20,3)24(23)13-15-29(25,27)4/h10,21-27H,5-9,11-17H2,1-4H3/t21-,23+,24-,25-,26+,27-,28-,29-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)C(=O)[C@H]2[C@H]3[C@@H]([C@H]4[NH+]2C=CC5=CC=CC=C45)C(=O)NC3=O
InChI: InChI=1S/C23H20N2O5/c1-29-13-7-8-16(30-2)15(11-13)21(26)20-18-17(22(27)24-23(18)28)19-14-6-4-3-5-12(14)9-10-25(19)20/h3-11,17-20H,1-2H3,(H,24,27,28)/p+1/t17-,18+,19-,20+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(NC(=O)N=C43)N)O)OP(=O)(O1)O
InChI: InChI=1S/C10H12N5O7P/c11-7-4-8(14-10(17)13-7)15(2-12-4)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NS(=O)(=O)C2=CC(=C(C=C2)N3C=NN=N3)C
InChI: InChI=1S/C15H21N5O2S/c1-11-5-3-4-6-14(11)17-23(21,22)13-7-8-15(12(2)9-13)20-10-16-18-19-20/h7-11,14,17H,3-6H2,1-2H3/t11-,14-/m1/s1
SMILES: C1CC1NC2=NC3=CC(=C(C=C3N2[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)Cl)Cl
InChI: InChI=1S/C15H17Cl2N3O4/c16-7-3-9-10(4-8(7)17)20(15(19-9)18-6-1-2-6)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,1-2,5H2,(H,18,19)/t11-,12-,13+,14+/m0/s1
SMILES: C[C@@H](C1=CC=CC2=CC=CC=C21)N(C3=C[C@@H]([C@@H]4[C@H](S3)C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)C
InChI: InChI=1S/C33H28N2O3S/c1-21(26-19-11-15-23-14-9-10-18-27(23)26)34(22(2)36)29-20-28(24-12-5-3-6-13-24)30-31(39-29)33(38)35(32(30)37)25-16-7-4-8-17-25/h3-21,28,30-31H,1-2H3/t21-,28+,30+,31-/m0/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C(=CC(=C5)Br)OC)O)Cl)C6=CC=C(C=C6)F)Cl
InChI: InChI=1S/C26H20BrCl2FN4O6/c1-31-23(38)32-8-7-15-17(34(32)24(31)39)11-25(28)21(36)33(14-5-3-13(30)4-6-14)22(37)26(25,29)19(15)16-9-12(27)10-18(40-2)20(16)35/h3-7,9-10,17,19,35H,8,11H2,1-2H3/t17-,19-,25-,26+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)O[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O
InChI: InChI=1S/C28H48O5/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)33-23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18+,19+,20-,21+,22+,23+,25-,26-,27-,28-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](O[C@@H](C[C@@H]2O)N3C=CC(=NC3=O)NC(=O)C4=CC=C(C=C4)NC)C)O)O)N(C)C
InChI: InChI=1S/C26H37N5O8/c1-13-20(30(4)5)21(33)22(34)25(38-13)39-23-14(2)37-19(12-17(23)32)31-11-10-18(29-26(31)36)28-24(35)15-6-8-16(27-3)9-7-15/h6-11,13-14,17,19-23,25,27,32-34H,12H2,1-5H3,(H,28,29,35,36)/t13-,14+,17+,19+,20-,21+,22-,23+,25-/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)C45CC5)C
InChI: InChI=1S/C20H21NO2/c1-10-8-11(2)17(12(3)9-10)21-18(22)15-13-4-5-14(16(15)19(21)23)20(13)6-7-20/h4-5,8-9,13-16H,6-7H2,1-3H3/t13-,14+,15-,16-/m1/s1
SMILES: C[C@]1([C@@]([C@@](N=N1)(C)C2=CC=C(C=C2)[N+](=O)[O-])(C#N)C(=O)OC)C3=CC=CC=C3
InChI: InChI=1S/C20H18N4O4/c1-18(14-7-5-4-6-8-14)20(13-21,17(25)28-3)19(2,23-22-18)15-9-11-16(12-10-15)24(26)27/h4-12H,1-3H3/t18-,19-,20-/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)ON2C5=CC=C(C=C5)Cl)O
InChI: InChI=1S/C24H17Cl3N2O5/c1-33-19-10-12(2-9-18(19)30)21-20-22(34-29(21)14-5-3-13(25)4-6-14)24(32)28(23(20)31)15-7-8-16(26)17(27)11-15/h2-11,20-22,30H,1H3/t20-,21-,22-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H](C)[C@@H]1[C@H]2[C@H](C(=C(N2C1=O)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])/C=C/COC4=C(C=C(C=C4)CCO)I)C
InChI: InChI=1S/C33H41IN2O8Si/c1-6-45(7-2,8-3)44-22(5)29-30-21(4)26(10-9-19-42-28-16-11-23(17-18-37)20-27(28)34)31(35(30)32(29)38)33(39)43-25-14-12-24(13-15-25)36(40)41/h9-16,20-22,29-30,37H,6-8,17-19H2,1-5H3/b10-9+/t21-,22+,29+,30+/m0/s1
SMILES: CCOP(=O)(CC1=CC=CC=C1C(=O)OCC[C@@H]2[C@@H](O2)/C=C\CO)OCC
InChI: InChI=1S/C19H27O7P/c1-3-24-27(22,25-4-2)14-15-8-5-6-9-16(15)19(21)23-13-11-18-17(26-18)10-7-12-20/h5-10,17-18,20H,3-4,11-14H2,1-2H3/b10-7-/t17-,18+/m0/s1
SMILES: CC1(O[C@@H]2CO[C@H]([C@H]([C@@H]2O1)OS(=O)(=O)C)Cl)C
InChI: InChI=1S/C9H15ClO6S/c1-9(2)14-5-4-13-8(10)7(6(5)15-9)16-17(3,11)12/h5-8H,4H2,1-3H3/t5-,6-,7+,8-/m1/s1
SMILES: COC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)N(N=N3)CC4=CC=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H14Cl2N4O3/c1-27-14-7-6-12(8-13(14)20)24-17(25)15-16(18(24)26)23(22-21-15)9-10-2-4-11(19)5-3-10/h2-8,15-16H,9H2,1H3/t15-,16-/m0/s1
SMILES: C1CCC(CC1)C(C(=O)O)O/N=C(/C2=CSC(=N2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=CC=[N+](C=C5)CCF)C(=O)O
InChI: InChI=1S/C28H31FN6O7S3/c29-8-11-34-9-6-17(7-10-34)43-12-16-13-44-25-20(24(37)35(25)21(16)26(38)39)32-23(36)19(18-14-45-28(30)31-18)33-42-22(27(40)41)15-4-2-1-3-5-15/h6-7,9-10,14-15,20,22,25H,1-5,8,11-13H2,(H4-,30,31,32,36,38,39,40,41)/p+1/b33-19-/t20-,22?,25-/m1/s1
SMILES: C[C@]12CCCC([C@H]1CC[C@@]([C@@H]2CC(=O)[O-])(C)O)(C)C
InChI: InChI=1S/C16H28O3/c1-14(2)7-5-8-15(3)11(14)6-9-16(4,19)12(15)10-13(17)18/h11-12,19H,5-10H2,1-4H3,(H,17,18)/p-1/t11-,12-,15+,16-/m1/s1
SMILES: C[NH+](C)C[C@H]1[C@H](C2CCC1CC2)C3=CC=C(C=C3)OC.[Cl-]
InChI: InChI=1S/C18H27NO.ClH/c1-19(2)12-17-13-4-6-14(7-5-13)18(17)15-8-10-16(20-3)11-9-15;/h8-11,13-14,17-18H,4-7,12H2,1-3H3;1H/t13?,14?,17-,18-;/m1./s1
SMILES: C1COCC1C(=O)N(CCC2=CC3=CC=CC=C3N2)[C@@H]4CC(=C[C@@H]([C@H]4O)OC5=CC=CC=C5I)C(=O)NCCO
InChI: InChI=1S/C30H34IN3O6/c31-23-6-2-4-8-26(23)40-27-17-21(29(37)32-11-13-35)16-25(28(27)36)34(30(38)20-10-14-39-18-20)12-9-22-15-19-5-1-3-7-24(19)33-22/h1-8,15,17,20,25,27-28,33,35-36H,9-14,16,18H2,(H,32,37)/t20?,25-,27+,28+/m1/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)OCCNC(=O)[C@@H]2[C@H](C2(C)C)C=C(Cl)Cl)C
InChI: InChI=1S/C19H24Cl2N2O3/c1-11-6-5-7-14(12(11)2)23-18(25)26-9-8-22-17(24)16-13(10-15(20)21)19(16,3)4/h5-7,10,13,16H,8-9H2,1-4H3,(H,22,24)(H,23,25)/t13-,16+/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
InChI: InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
SMILES: C[C@@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)S)C)C
InChI: InChI=1S/C27H46S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21-,22+,23+,24-,25+,26-,27+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3CN=CC[C@@H]3CC=C
InChI: InChI=1S/C25H33NOSi/c1-5-12-21-17-18-26-19-22(21)20-27-28(25(2,3)4,23-13-8-6-9-14-23)24-15-10-7-11-16-24/h5-11,13-16,18,21-22H,1,12,17,19-20H2,2-4H3/t21-,22+/m0/s1
SMILES: C1[C@H]2[C@H]([C@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C=CC(=C4)Cl)N[C@H]2C5=CC=CC=C5
InChI: InChI=1S/C24H20Cl2N2O2S/c25-15-10-11-18-16(12-15)22-17(24(27-18)14-6-2-1-3-7-14)13-21(23(22)26)31-20-9-5-4-8-19(20)28(29)30/h1-12,17,21-24,27H,13H2/t17-,21-,22+,23-,24-/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)[C@H]1[C@@H](N(CO1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5)C
InChI: InChI=1S/C23H20NO.3C4H9.Sn/c1-17-15-25-16-24(17)23(18-9-3-2-4-10-18)21-13-7-5-11-19(21)20-12-6-8-14-22(20)23;3*1-3-4-2;/h2-15,17H,16H2,1H3;3*1,3-4H2,2H3;/t17-;;;;/m0..../s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C27H30O5/c1-20-24(29-17-21-11-5-2-6-12-21)25(30-18-22-13-7-3-8-14-22)26(27(28)32-20)31-19-23-15-9-4-10-16-23/h2-16,20,24-28H,17-19H2,1H3/t20-,24+,25+,26-,27-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1O)[C@@H]2C[C@H]3C[C@@H]2[C@@H](C3(C)C)C
InChI: InChI=1S/C17H30O/c1-10-6-5-7-13(16(10)18)15-9-12-8-14(15)11(2)17(12,3)4/h10-16,18H,5-9H2,1-4H3/t10-,11+,12-,13-,14-,15+,16-/m1/s1
SMILES: CCCC[Sn]CCCC.COC1=CC=C(C=C1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@@H](O3)OCC[Si](C)(C)C)O)O
InChI: InChI=1S/C19H30O7Si.2C4H9.Sn/c1-22-13-7-5-12(6-8-13)18-24-11-14-17(26-18)15(20)16(21)19(25-14)23-9-10-27(2,3)4;2*1-3-4-2;/h5-8,14-21H,9-11H2,1-4H3;2*1,3-4H2,2H3;/t14-,15-,16-,17-,18-,19-;;;/m1.../s1
SMILES: C1=CC=C(C=C1)C(=O)OCC2([C@H]([C@H]([C@@H](O2)N3C=CC(=O)C4=C(N=CN=C43)N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)CO
InChI: InChI=1S/C34H28N4O9/c35-28-25-24(40)16-17-38(29(25)37-20-36-28)30-26(45-32(42)22-12-6-2-7-13-22)27(46-33(43)23-14-8-3-9-15-23)34(18-39,47-30)19-44-31(41)21-10-4-1-5-11-21/h1-17,20,26-27,30,39H,18-19H2,(H2,35,36,37)/t26-,27+,30-,34?/m1/s1
SMILES: COC1=C(C(=C(C=C1)CCC2=CC(=C(C(=C2)OC)O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C23H30O11/c1-30-13-7-6-12(5-4-11-8-14(31-2)17(25)15(9-11)32-3)22(19(13)27)34-23-21(29)20(28)18(26)16(10-24)33-23/h6-9,16,18,20-21,23-29H,4-5,10H2,1-3H3/t16-,18-,20+,21-,23+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@](O3)(CCO)P(=O)(O)O
InChI: InChI=1S/C13H19N2O9P/c1-7-5-15(12(18)14-11(7)17)10-4-8-9(23-10)6-22-13(24-8,2-3-16)25(19,20)21/h5,8-10,16H,2-4,6H2,1H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,13+/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)CNC(=O)[C@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CSC7=NN=CN7C
InChI: InChI=1S/C45H47N5O6S2/c1-30-12-22-39(23-13-30)58(53,54)49-40(25-32-8-5-4-6-9-32)43(52)46-26-34-10-7-11-38(24-34)35-18-20-37(21-19-35)44-55-41(28-57-45-48-47-29-50(45)3)31(2)42(56-44)36-16-14-33(27-51)15-17-36/h4-24,29,31,40-42,44,49,51H,25-28H2,1-3H3,(H,46,52)/t31-,40+,41+,42+,44+/m0/s1
SMILES: CC(=O)N1[C@@H]([C@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC=C(C=C4)Br
InChI: InChI=1S/C20H19BrN2O2/c1-12(24)23-20(14-3-7-15(21)8-4-14)17-10-6-13-5-9-16(25-2)11-18(13)19(17)22-23/h3-5,7-9,11,17,20H,6,10H2,1-2H3/t17-,20+/m0/s1
SMILES: CC(=O)O[C@H]1C[C@@H]([C@@]2([C@@H]1CC(=CC2)OC(=O)C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C19H28O6/c1-11(20)23-13-7-8-19(6)14(9-13)15(24-12(2)21)10-16(19)25-17(22)18(3,4)5/h7,14-16H,8-10H2,1-6H3/t14-,15+,16+,19+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O1)C3(CC3)O[C@H]2N4C=C(C5=C4N=CN=C5Cl)I)C
InChI: InChI=1S/C15H15ClIN3O3/c1-14(2)21-9-10(22-14)15(3-4-15)23-13(9)20-5-7(17)8-11(16)18-6-19-12(8)20/h5-6,9-10,13H,3-4H2,1-2H3/t9-,10+,13-/m1/s1
SMILES: C/C(=C\C(=O)C)/N1[C@H]([C@@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC=C(C=C4)F
InChI: InChI=1S/C23H23FN2O2/c1-14(12-15(2)27)26-23(17-4-8-18(24)9-5-17)20-11-7-16-6-10-19(28-3)13-21(16)22(20)25-26/h4-6,8-10,12-13,20,23H,7,11H2,1-3H3/b14-12+/t20-,23+/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@]2([C@H](CCC2C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCC(CC5)C6=CC=CC=C6)/C4=C(C3=O)O)COC)C)O)C
InChI: InChI=1S/C34H41NO8/c1-19(36)42-24-16-33(2)23(10-11-25(33)37)27-29(24)34(3)26(18-41-4)43-32(40)22(28(34)31(39)30(27)38)17-35-14-12-21(13-15-35)20-8-6-5-7-9-20/h5-9,17,21,23-26,37,39H,10-16,18H2,1-4H3/b22-17+/t23?,24-,25+,26-,33+,34+/m1/s1