EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)N3C(=O)[C@H]4[C@@H](C3=O)[C@]5(C(=C([C@]4(C5(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C24H16Cl6N2O3/c25-18-19(26)23(28)17-16(22(18,27)24(23,29)30)20(34)32(21(17)35)14-8-4-7-13(11-14)31-15(33)10-9-12-5-2-1-3-6-12/h1-8,11,16-17H,9-10H2,(H,31,33)/t16-,17+,22-,23-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)O)[C@@H](CC4=C3C=CC(=C4)OCOC)CCCCCCCCCSCCCC(C(F)(F)F)(F)F
InChI: InChI=1S/C34H51F5O4S/c1-32-16-14-27-26-13-12-25(43-22-42-2)20-24(26)19-23(30(27)28(32)21-29(40)31(32)41)11-8-6-4-3-5-7-9-17-44-18-10-15-33(35,36)34(37,38)39/h12-13,20,23,27-31,40-41H,3-11,14-19,21-22H2,1-2H3/t23-,27-,28+,29+,30-,31+,32+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CN(C[C@H]1N2C=CC(=O)NC2=O)CC3=CC=CC=C3
InChI: InChI=1S/C21H31N3O3Si/c1-21(2,3)28(4,5)27-18-15-23(13-16-9-7-6-8-10-16)14-17(18)24-12-11-19(25)22-20(24)26/h6-12,17-18H,13-15H2,1-5H3,(H,22,25,26)/t17-,18+/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(C2=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C20H22N2O4S/c1-3-26-17-10-8-16(9-11-17)22-19-13-27(24,25)12-18(19)21(20(22)23)15-6-4-14(2)5-7-15/h4-11,18-19H,3,12-13H2,1-2H3/t18-,19+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C7=CC=CC=C7)Cl)O
InChI: InChI=1S/C31H18Cl3F5N4O6/c1-49-17-10-12(9-15(32)25(17)44)18-14-7-8-40-28(47)41(13-5-3-2-4-6-13)29(48)43(40)16(14)11-30(33)26(45)42(27(46)31(18,30)34)24-22(38)20(36)19(35)21(37)23(24)39/h2-7,9-10,16,18,44H,8,11H2,1H3/t16-,18+,30-,31+/m1/s1
SMILES: C[C@@H](CO)C(=C)CC[C@@H](COS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(C[C@@H]([C@H](C4)O)O)C)C
InChI: InChI=1S/C28H48O7S/c1-17(18(2)15-29)5-6-19(16-35-36(32,33)34)22-9-10-23-21-8-7-20-13-25(30)26(31)14-28(20,4)24(21)11-12-27(22,23)3/h18-26,29-31H,1,5-16H2,2-4H3,(H,32,33,34)/t18-,19-,20?,21-,22+,23-,24-,25-,26-,27+,28-/m0/s1
SMILES: CC(C)N1C(=O)[C@H]2[C@H](C1=O)[C@]([NH2+][C@H]2C3=CC=CC=C3O)(CCSC)C(=O)[O-]
InChI: InChI=1S/C19H24N2O5S/c1-10(2)21-16(23)13-14(17(21)24)19(18(25)26,8-9-27-3)20-15(13)11-6-4-5-7-12(11)22/h4-7,10,13-15,20,22H,8-9H2,1-3H3,(H,25,26)/t13-,14+,15-,19+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCC4=CC=CS4)N=C(S3)C5=CN=CC=C5)(C)CO)O
InChI: InChI=1S/C26H31N3O3S2/c1-25-8-7-21(31)26(2,15-30)20(25)12-19-23(29-24(34-19)16-5-3-9-27-13-16)18(25)11-22(32)28-14-17-6-4-10-33-17/h3-6,9-10,13,18,20-21,30-31H,7-8,11-12,14-15H2,1-2H3,(H,28,32)/t18-,20+,21-,25+,26+/m1/s1
SMILES: CC(CCCC1=CC=CC=C1)OC2=CC(=C3[C@@H]4C[C@@H](CC[C@H]4C(OC3=C2)(C)C)O)O
InChI: InChI=1S/C26H34O4/c1-17(8-7-11-18-9-5-4-6-10-18)29-20-15-23(28)25-21-14-19(27)12-13-22(21)26(2,3)30-24(25)16-20/h4-6,9-10,15-17,19,21-22,27-28H,7-8,11-14H2,1-3H3/t17?,19-,21-,22-/m1/s1
SMILES: CC1([C@@H]2C[C@H]1C(=O)C[C@@H]2C3=C(C=C(C=C3O)C(C)(C)CCCCC#C)O)C
InChI: InChI=1S/C24H32O3/c1-6-7-8-9-10-23(2,3)15-11-20(26)22(21(27)12-15)16-13-19(25)18-14-17(16)24(18,4)5/h1,11-12,16-18,26-27H,7-10,13-14H2,2-5H3/t16-,17+,18-/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)C)C(=O)N(C4=O)C6CCCCC6
InChI: InChI=1S/C31H33NO6/c1-3-38-24-11-7-10-19(29(24)35)25-18-12-13-20-26(31(37)32(30(20)36)17-8-5-4-6-9-17)21(18)15-22-27(25)23(33)14-16(2)28(22)34/h7,10-12,14,17,20-21,25-26,35H,3-6,8-9,13,15H2,1-2H3/t20-,21+,25+,26-/m0/s1
SMILES: C[C@H]1[C@@H]([C@]2(N(O1)[C@@H]3[C@H]4CC[C@@]([C@@H]3O2)(C4(C)C)C)C)C(=O)OC
InChI: InChI=1S/C17H27NO4/c1-9-11(14(19)20-6)17(5)18(22-9)12-10-7-8-16(4,13(12)21-17)15(10,2)3/h9-13H,7-8H2,1-6H3/t9-,10+,11+,12+,13+,16-,17-/m0/s1
SMILES: C1C(=O)C2=C(NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C11H14N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-4,6,8-9,11,16,18-19H,1-2H2,(H,12,13)/t6-,8-,9-,11-/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)CO)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C20H28O3/c1-20-8-7-16-15-6-4-14(23-2)9-12(15)3-5-17(16)18(20)10-13(11-21)19(20)22/h4,6,9,13,16-19,21-22H,3,5,7-8,10-11H2,1-2H3/t13-,16+,17+,18-,19-,20+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@H]([C@H]([C@@H](CCO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C54H60O10/c55-32-31-48(58-34-42-21-9-2-10-22-42)50(59-35-43-23-11-3-12-24-43)47(56)39-63-54-53(62-38-46-29-17-6-18-30-46)52(61-37-45-27-15-5-16-28-45)51(60-36-44-25-13-4-14-26-44)49(64-54)40-57-33-41-19-7-1-8-20-41/h1-30,47-56H,31-40H2/t47-,48-,49-,50-,51+,52+,53-,54+/m1/s1
SMILES: COP(=O)([C@]1(C[C@H]1C2=CC=CC=C2)C3=CC=C(C=C3)Br)OC
InChI: InChI=1S/C17H18BrO3P/c1-20-22(19,21-2)17(14-8-10-15(18)11-9-14)12-16(17)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3/t16-,17+/m0/s1
SMILES: CC1=NN=C(S1)NC(=O)[C@@H]2[C@@H]3[C@@H]([C@@H]4[C@@H](O2)OC(O4)(C)C)OC(O3)(C)C
InChI: InChI=1S/C15H21N3O6S/c1-6-17-18-13(25-6)16-11(19)9-7-8(22-14(2,3)21-7)10-12(20-9)24-15(4,5)23-10/h7-10,12H,1-5H3,(H,16,18,19)/t7-,8-,9-,10+,12-/m0/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)C3=CC=C(C=C3)N(C)C)/C)[C@H](C)O
InChI: InChI=1S/C25H37NO6/c1-14(10-20(28)17-6-8-19(9-7-17)26(4)5)11-21-24(30)23(29)18(13-31-21)12-22-25(32-22)15(2)16(3)27/h6-10,15-16,18,21-25,27,29-30H,11-13H2,1-5H3/b14-10+/t15-,16-,18-,21-,22-,23+,24-,25-/m0/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C(=CC=C6)F)O)C)C7=CC=CC=C7)(O)O
InChI: InChI=1S/C33H28BFN2O7/c1-33-24(30(40)37(32(33)42)18-8-3-2-4-9-18)16-23-20(27(33)22-11-6-12-25(35)28(22)38)13-14-21-26(23)31(41)36(29(21)39)19-10-5-7-17(15-19)34(43)44/h2-13,15,21,23-24,26-27,38,43-44H,14,16H2,1H3/t21-,23+,24-,26-,27+,33+/m0/s1
SMILES: [2H]C(=O)[C@]12C[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]1(CC[C@@H]2C[Hg]C)C)C)[C@H](C)CCCC(C)C
InChI: InChI=1S/C27H45O.CH3.Hg/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-27(17-28)20(4)12-15-26(27,6)24(21)13-14-25(22,23)5;;/h17-24H,4,7-16H2,1-3,5-6H3;1H3;/t19-,20+,21+,22-,23+,24+,25-,26-,27+;;/m1../s1/i17D;;
SMILES: CC1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@H]3N2
InChI: InChI=1S/C17H23N3O2/c1-11-6-8-12(9-7-11)18-16(21)10-15-17(22)20-14-5-3-2-4-13(14)19-15/h6-9,13-15,19H,2-5,10H2,1H3,(H,18,21)(H,20,22)/t13-,14+,15+/m1/s1
SMILES: C1C[C@H]2[C@H](C(=O)OC(=C2CCC=C1)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H22O2/c24-23-21(17-11-5-3-6-12-17)19-15-9-1-2-10-16-20(19)22(25-23)18-13-7-4-8-14-18/h1-8,11-14,19,21H,9-10,15-16H2/t19-,21-/m1/s1
SMILES: CC[C@]1(CCC(=C[C@@H]1N(CC=C)C(=O)OC)O[Si](C)(C)C(C)(C)C)C=C
InChI: InChI=1S/C21H37NO3Si/c1-10-15-22(19(23)24-7)18-16-17(13-14-21(18,11-2)12-3)25-26(8,9)20(4,5)6/h10-11,16,18H,1-2,12-15H2,3-9H3/t18-,21-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C=CC5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)N(C)C6=C(C=CC(=N6)C(F)(F)F)Cl)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C37H30Cl2F4N4O6/c1-36-22(9-4-17-5-12-27(48)28(14-17)53-3)19-7-8-20-30(21(19)16-23(36)33(50)46(35(36)52)18-6-11-26(40)25(39)15-18)34(51)47(32(20)49)45(2)31-24(38)10-13-29(44-31)37(41,42)43/h4-7,9-15,20-23,30,48H,8,16H2,1-3H3/t20-,21+,22-,23-,30-,36-/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(CCN2CCCC2)C(=O)CC3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C22H30N2O5/c1-2-27-22(26)18-13-17(18)14-24(10-9-23-7-3-4-8-23)21(25)12-16-5-6-19-20(11-16)29-15-28-19/h5-6,11,17-18H,2-4,7-10,12-15H2,1H3/t17-,18+/m1/s1
SMILES: C1CN(CCN1C[C@H]2C[C@H]3C[C@@H]2C=C3)CC4=CC=C(C=C4)Br
InChI: InChI=1S/C19H25BrN2/c20-19-5-2-15(3-6-19)13-21-7-9-22(10-8-21)14-18-12-16-1-4-17(18)11-16/h1-6,16-18H,7-14H2/t16-,17+,18-/m1/s1
SMILES: C1CCC[C@@H]2[C@@H](CC1)C(N=N2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H24N2/c1-2-10-16-20-19(15-9-1)21(23-22-20,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,19-20H,1-2,9-10,15-16H2/t19-,20-/m1/s1
SMILES: C1=CC2=C(C=C1C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O[C@]5(C(=O)C6=C(C=C(C=C6O[C@]5(O2)C7=CC(=C(C=C7)O)O)O)O)O
InChI: InChI=1S/C30H18O14/c31-13-7-17(35)23-21(9-13)41-27(26(38)25(23)37)11-1-4-19-20(5-11)42-29(40)28(39)24-18(36)8-14(32)10-22(24)44-30(29,43-19)12-2-3-15(33)16(34)6-12/h1-10,31-36,38,40H/t29-,30+/m0/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2C(=O)NC4=CC(=NC=C4)Cl)CC5(CC5)C6[C@@]3(CCC(=O)N6C)C
InChI: InChI=1S/C27H36ClN3O2/c1-25-9-6-19-17(15-27(11-12-27)24-26(19,2)10-7-22(32)31(24)3)18(25)4-5-20(25)23(33)30-16-8-13-29-21(28)14-16/h8,13-14,17-20,24H,4-7,9-12,15H2,1-3H3,(H,29,30,33)/t17?,18-,19?,20+,24?,25-,26+/m0/s1
SMILES: CCC(=O)N1[C@@H]([C@H]2C(=N1)C3CC[NH+]2CC3)C4=CC=C(C=C4)Br
InChI: InChI=1S/C17H20BrN3O/c1-2-14(22)21-16(12-3-5-13(18)6-4-12)17-15(19-21)11-7-9-20(17)10-8-11/h3-6,11,16-17H,2,7-10H2,1H3/p+1/t16-,17-/m1/s1
SMILES: C[C@H]1CO[C@@H](O[C@H]1[C@@H](C)C(=O)C[C@@H](C#C[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O)C2=CC=C(C=C2)OC
InChI: InChI=1S/C36H60O6Si2/c1-24(33(42-44(13,14)36(6,7)8)25(2)21-27(4)43(10,11)12)15-18-30(37)22-32(38)28(5)34-26(3)23-40-35(41-34)29-16-19-31(39-9)20-17-29/h16-17,19-21,24-26,28,30,33-35,37H,22-23H2,1-14H3/b27-21-/t24-,25-,26-,28-,30+,33-,34+,35-/m0/s1
SMILES: CC(C)C1=CC2=C(C[C@]3(CCCC([C@@H]3CC2)(C)C)O)C(=O)C1=O
InChI: InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-16-19(3,4)8-5-9-20(16,23)11-15(13)18(22)17(14)21/h10,12,16,23H,5-9,11H2,1-4H3/t16-,20-/m0/s1
SMILES: CC1=C(C[C@]2([C@@H](C1)[C@H]3COC(O3)(C)C)C(=O)OC(=N2)C4=CC=CC=C4)C
InChI: InChI=1S/C21H25NO4/c1-13-10-16(17-12-24-20(3,4)26-17)21(11-14(13)2)19(23)25-18(22-21)15-8-6-5-7-9-15/h5-9,16-17H,10-12H2,1-4H3/t16-,17+,21-/m0/s1
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O3)O)O)O)O)O)O
InChI: InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)62-9-23-33-34(65-40(61)14-8-22(49)30(54)32(56)25(14)24-13(39(60)64-33)7-21(48)29(53)31(24)55)35(66-37(58)11-3-17(44)27(51)18(45)4-11)41(63-23)67-38(59)12-5-19(46)28(52)20(47)6-12/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1
SMILES: COC(=O)[C@H]1[C@H](N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C21H22N2O5/c1-27-19(24)17-18(20(25)28-2)23(14-16-11-7-4-8-12-16)21(26)22(17)13-15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3/t17-,18+
SMILES: C[C@H]1C[C@H]([C@@H]([C@H](O1)CCC2=CC=CC=C2)CCOC)O
InChI: InChI=1S/C17H26O3/c1-13-12-16(18)15(10-11-19-2)17(20-13)9-8-14-6-4-3-5-7-14/h3-7,13,15-18H,8-12H2,1-2H3/t13-,15-,16+,17+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)C=NOCC5=CC=CC=C5C
InChI: InChI=1S/C28H35NO4/c1-17(2)24-11-21-12-27(16-30)23-10-9-19(4)22(23)13-26(21,28(24,27)25(31)32)15-29-33-14-20-8-6-5-7-18(20)3/h5-8,11,15-17,19,21-23H,9-10,12-14H2,1-4H3,(H,31,32)/t19-,21+,22-,23-,26+,27+,28-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C40H40O6/c1-6-16-31(17-7-1)26-41-30-36-37(42-27-32-18-8-2-9-19-32)38(43-28-33-20-10-3-11-21-33)39(44-29-34-22-12-4-13-23-34)40(46-36)45-35-24-14-5-15-25-35/h1-25,36-40H,26-30H2/t36-,37+,38+,39-,40-/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N[C@@H](C)C3=CC=CC=C3Cl
InChI: InChI=1S/C19H24ClN3O3/c1-12-7-5-6-10-19(12)17(25)23(18(26)22-19)11-16(24)21-13(2)14-8-3-4-9-15(14)20/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H,21,24)(H,22,26)/t12-,13-,19-/m0/s1
SMILES: C[C@H](CCCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@]4([C@@]3([C@@H](C[C@@H](C4)O)O)C)O)C
InChI: InChI=1S/C29H50O3/c1-18(2)19(3)8-7-9-20(4)23-10-11-24-22-12-15-29(32)17-21(30)16-26(31)28(29,6)25(22)13-14-27(23,24)5/h18,20-26,30-32H,3,7-17H2,1-2,4-6H3/t20-,21+,22+,23-,24+,25+,26-,27-,28+,29-/m1/s1
SMILES: CCC1=CC=C(C=C1)C(=O)N2[C@@H]([C@](OC2=S)(C)C3=CC=NC=C3)C(=O)OCC
InChI: InChI=1S/C21H22N2O4S/c1-4-14-6-8-15(9-7-14)18(24)23-17(19(25)26-5-2)21(3,27-20(23)28)16-10-12-22-13-11-16/h6-13,17H,4-5H2,1-3H3/t17-,21+/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)NC(=O)CCCCCNC(=O)C)CSC4=NC5=CC=CC=C5S4
InChI: InChI=1S/C34H39N3O5S2/c1-22-29(21-43-34-37-28-11-5-6-12-30(28)44-34)41-33(42-32(22)25-16-14-24(20-38)15-17-25)26-9-8-10-27(19-26)36-31(40)13-4-3-7-18-35-23(2)39/h5-6,8-12,14-17,19,22,29,32-33,38H,3-4,7,13,18,20-21H2,1-2H3,(H,35,39)(H,36,40)/t22-,29+,32+,33+/m1/s1
SMILES: CC1=C(SC=C1)C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-]
InChI: InChI=1S/C14H18N2O4S/c1-8-6-7-21-11(8)13(18)16-15-12(17)9-4-2-3-5-10(9)14(19)20/h6-7,9-10H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20)/p-1/t9-,10+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C3=NOC(C3)CC4=CC=C(C=C4)OC)OCC5=CC=CC=C5)C
InChI: InChI=1S/C25H29NO6/c1-25(2)30-23-22(28-15-17-7-5-4-6-8-17)21(29-24(23)31-25)20-14-19(32-26-20)13-16-9-11-18(27-3)12-10-16/h4-12,19,21-24H,13-15H2,1-3H3/t19?,21-,22+,23-,24-/m1/s1
SMILES: C1[C@H]2[C@H]([C@H](OC(O2)C3=CC=CC=C3)[C@@H](COC4=CC=CC5=CC=CC=C54)O)OC(O1)C6=CC=CC=C6
InChI: InChI=1S/C30H28O6/c31-24(18-32-25-17-9-15-20-10-7-8-16-23(20)25)27-28-26(34-30(35-27)22-13-5-2-6-14-22)19-33-29(36-28)21-11-3-1-4-12-21/h1-17,24,26-31H,18-19H2/t24-,26+,27-,28-,29?,30?/m1/s1
SMILES: CC(=O)N[C@@H]1[C@@H]2C[C@@H]([C@H]([C@@H]2OC1=O)Br)OC
InChI: InChI=1S/C10H14BrNO4/c1-4(13)12-8-5-3-6(15-2)7(11)9(5)16-10(8)14/h5-9H,3H2,1-2H3,(H,12,13)/t5-,6-,7+,8+,9+/m0/s1
SMILES: CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)OCCC=C)OCC=C)C
InChI: InChI=1S/C54H62FN3O10/c1-5-7-29-64-53(61)57(34-38-15-19-41(55)20-16-38)50-33-48(56-66-35-39-17-21-42(22-18-39)58(62)63)46-31-40(12-8-10-26-59)45(13-9-11-27-60)51-47-32-44(67-43-23-14-36(3)37(4)30-43)24-25-49(47)68-54(50,52(46)51)65-28-6-2/h5-6,14-25,30-32,40,45,50-52,59-60H,1-2,7-13,26-29,33-35H2,3-4H3/t40-,45+,50-,51+,52+,54+/m0/s1
SMILES: CC(C)(C)[C@H]1P2[C@H]3[C@]2(P(=O)([C@]4([C@]3(P14)C5=CC=CC=C5)C(C)(C)C)C#CC6=CC=CC=C6)C(C)(C)C
InChI: InChI=1S/C31H39OP3/c1-26(2,3)25-33-24-29(23-18-14-11-15-19-23)31(34(25)29,28(7,8)9)35(32,30(24,33)27(4,5)6)21-20-22-16-12-10-13-17-22/h10-19,24-25H,1-9H3/t24-,25+,29+,30+,31+,33?,34?,35?/m1/s1
SMILES: C[C@H]1[C@@H]2CC[C@@]3(CC4=C([C@H]([C@@H]3[C@H]2OC1=O)C)N=C(S4)NC(=O)C5=CC=C(C=C5)CN6CCN(CC6)C)C
InChI: InChI=1S/C29H38N4O3S/c1-17-21-9-10-29(3)15-22-24(18(2)23(29)25(21)36-27(17)35)30-28(37-22)31-26(34)20-7-5-19(6-8-20)16-33-13-11-32(4)12-14-33/h5-8,17-18,21,23,25H,9-16H2,1-4H3,(H,30,31,34)/t17-,18-,21-,23+,25-,29+/m0/s1
SMILES: CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C15H31NO4Si/c1-14(2,3)19-13(18)16-9-11(17)12(10-16)20-21(7,8)15(4,5)6/h11-12,17H,9-10H2,1-8H3/t11-,12-/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)NC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN6CCC7(CC6)C(=O)NCN7C8=CC=CC=C8
InChI: InChI=1S/C48H53N5O7S/c1-33-13-23-41(24-14-33)61(57,58)51-42(29-35-9-5-3-6-10-35)45(55)50-39-21-19-38(20-22-39)46-59-43(34(2)44(60-46)37-17-15-36(31-54)16-18-37)30-52-27-25-48(26-28-52)47(56)49-32-53(48)40-11-7-4-8-12-40/h3-24,34,42-44,46,51,54H,25-32H2,1-2H3,(H,49,56)(H,50,55)/t34-,42+,43+,44+,46+/m0/s1
SMILES: CCNC1=NC2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C12H18N6O4/c1-2-14-12-17-6-9(13)15-4-16-10(6)18(12)11-8(21)7(20)5(3-19)22-11/h4-5,7-8,11,19-21H,2-3H2,1H3,(H,14,17)(H2,13,15,16)/t5-,7-,8-,11-/m1/s1
SMILES: C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[C@H]4CO[C@H]5C=CC=C[C@@H]5O4
InChI: InChI=1S/C26H28N2O3/c29-26(24-19-30-22-13-7-8-14-23(22)31-24)28-17-15-27(16-18-28)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22-25H,15-19H2/p+1/t22-,23-,24+/m0/s1
SMILES: CC(=O)[C@H]1C[C@@H]([C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChI: InChI=1S/C21H28O4/c1-11(22)15-9-16(24)18-14-5-4-12-8-13(23)6-7-20(12,2)19(14)17(25)10-21(15,18)3/h8,14-16,18-19,24H,4-7,9-10H2,1-3H3/t14-,15+,16-,18+,19+,20-,21+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)CN2C3=CC=CC=C3C(=O)C2=O
InChI: InChI=1S/C21H26N2O5/c1-12-7-6-9-16(13(12)2)22-20(26)14(3)28-18(24)11-23-17-10-5-4-8-15(17)19(25)21(23)27/h4-5,8,10,12-14,16H,6-7,9,11H2,1-3H3,(H,22,26)/t12-,13+,14+,16-/m0/s1
SMILES: CC(=O)N([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(C2=CC=CC=C2)C(=O)NCC(=O)OC
InChI: InChI=1S/C19H26N2O9/c1-10(23)21(19-17(27)16(26)15(25)12(9-22)30-19)14(11-6-4-3-5-7-11)18(28)20-8-13(24)29-2/h3-7,12,14-17,19,22,25-27H,8-9H2,1-2H3,(H,20,28)/t12-,14?,15+,16+,17-,19-/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([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)O)C)CO
InChI: InChI=1S/C34H54O5/c1-21(2)22-12-17-34(20-35)19-18-32(6)23(29(22)34)8-9-25-31(5)15-14-26(39-28(38)11-10-27(36)37)30(3,4)24(31)13-16-33(25,32)7/h22-26,29,35H,1,8-20H2,2-7H3,(H,36,37)/t22-,23+,24-,25+,26-,29+,31-,32+,33+,34+/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C(=O)NCCN4CCCCC4)NCC5C6=CC=CC=C6C7=CC=CC=C57)O)O
InChI: InChI=1S/C34H40N8O5/c1-2-35-32(45)28-26(43)27(44)34(47-28)42-19-38-25-29(37-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24)39-30(40-31(25)42)33(46)36-14-17-41-15-8-3-9-16-41/h4-7,10-13,19,24,26-28,34,43-44H,2-3,8-9,14-18H2,1H3,(H,35,45)(H,36,46)(H,37,39,40)/t26-,27+,28-,34+/m0/s1
SMILES: CC(=O)C1=COC[C@@H]2[C@H]1C[C@H]3C4=C(C[C@@H]2N3C)C5=C(N4C)C=C(C=C5)OC
InChI: InChI=1S/C22H26N2O3/c1-12(25)17-10-27-11-18-15(17)8-21-22-16(9-20(18)23(21)2)14-6-5-13(26-4)7-19(14)24(22)3/h5-7,10,15,18,20-21H,8-9,11H2,1-4H3/t15-,18+,20-,21-/m0/s1
SMILES: C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)O)[C@@H]1CC[C@H]2O.C[C@]12CCC3=C([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.[Na].[Na]
InChI: InChI=1S/C18H22O5S.C18H20O5S.2Na/c2*1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;;/h3-5,10,14,16-17,19H,2,6-9H2,1H3,(H,20,21,22);3,5,10,16H,2,4,6-9H2,1H3,(H,20,21,22);;/t14-,16+,17-,18+;16-,18-;;/m10../s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])O)O)O.C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])O)O)O.[Ca+2]
InChI: InChI=1S/2C13H18O9S.Ca/c2*14-10-9(7-21-23(17,18)19)22-13(12(16)11(10)15)20-6-8-4-2-1-3-5-8;/h2*1-5,9-16H,6-7H2,(H,17,18,19);/q;;+2/p-2/t2*9-,10-,11+,12-,13-;/m11./s1
SMILES: CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C23H24FNO3/c1-4-28-23(27)22-20(16-7-11-19(12-8-16)25(2)3)13-17(14-21(22)26)15-5-9-18(24)10-6-15/h5-12,14,20,22H,4,13H2,1-3H3/t20-,22+/m1/s1
SMILES: C[C@]1([C@H]2CC(=O)O[C@H]2[C@@H]([C@H](O1)COC)OC)CC=C
InChI: InChI=1S/C14H22O5/c1-5-6-14(2)9-7-11(15)18-12(9)13(17-4)10(19-14)8-16-3/h5,9-10,12-13H,1,6-8H2,2-4H3/t9-,10+,12+,13+,14+/m0/s1
SMILES: CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)[C@@H]4C[C@H]5CC[C@@H]4C5)C6=CC=CC=C6C(F)(F)F
InChI: InChI=1S/C34H35F3N4O4S/c1-2-3-12-31-38-41(29-10-6-5-9-28(29)34(35,36)37)33(43)40(31)21-22-13-16-24(17-14-22)26-8-4-7-11-30(26)46(44,45)39-32(42)27-20-23-15-18-25(27)19-23/h4-11,13-14,16-17,23,25,27H,2-3,12,15,18-21H2,1H3,(H,39,42)/t23-,25+,27+/m0/s1
SMILES: C[C@]1([C@@](O[C@H]2[C@H](O1)[C@H](O[C@@H]([C@H]2OCC3=CC=CC=C3)O[C@H]4[C@H]([C@H]5[C@@H](CO[C@H](O5)C6=CC=CC=C6)O[C@@H]4OC)OCC7=CC=CC=C7)COCC8=CC=CC=C8)(C)OC)OC
InChI: InChI=1S/C47H56O13/c1-46(49-4)47(2,50-5)60-40-38(59-46)35(29-51-26-31-18-10-6-11-19-31)56-45(41(40)53-28-33-22-14-8-15-23-33)58-42-39(52-27-32-20-12-7-13-21-32)37-36(55-44(42)48-3)30-54-43(57-37)34-24-16-9-17-25-34/h6-25,35-45H,26-30H2,1-5H3/t35-,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46+,47+/m1/s1
SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCCC=C)C(=O)O)C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C27H40N2O5/c1-4-7-10-11-22-26(27(31)32)21(20-12-13-23-24(16-20)34-19-33-23)17-29(22)18-25(30)28(14-8-5-2)15-9-6-3/h4,12-13,16,21-22,26H,1,5-11,14-15,17-19H2,2-3H3,(H,31,32)/t21-,22+,26-/m1/s1
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@H]([C@@H](O2)COP(=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)C(=S)N
InChI: InChI=1S/C21H27N7O13P2S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(40-21)6-38-43(35,36)41-42(33,34)37-5-10-13(29)15(31)20(39-10)27-3-1-2-9(4-27)18(23)44/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,44)/p+1/t10-,11-,13-,14-,15+,16+,20+,21+/m0/s1
SMILES: CC/C(=N/NC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2)/C3=CC=CC=C3
InChI: InChI=1S/C19H20N2O/c1-2-18(15-11-7-4-8-12-15)20-21-19(22)17-13-16(17)14-9-5-3-6-10-14/h3-12,16-17H,2,13H2,1H3,(H,21,22)/b20-18-/t16-,17-/m1/s1
SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C.CC1=NC=C(C(=C1O)CO)CO.Cl
InChI: InChI=1S/C25H38O5.C8H11NO3.ClH/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19;1-5-8(12)7(4-11)6(3-10)2-9-5;/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3;2,10-12H,3-4H2,1H3;1H/t15-,16-,18+,19+,20-,21-,23-;;/m0../s1
SMILES: COC1=CC=CC(=C1)C2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)NCC5=CC=CC=C5
InChI: InChI=1S/C22H24N6O4/c1-30-16-9-5-8-15(10-16)21-25-26-27-28(21)18-13-32-19-17(12-31-20(18)19)24-22(29)23-11-14-6-3-2-4-7-14/h2-10,17-20H,11-13H2,1H3,(H2,23,24,29)/t17-,18-,19+,20+/m0/s1
SMILES: C1CCN([C@@H](C1)C2=NC3=CC=CC=C3S2)CN4C(=O)[C@@H]5CC=CC[C@@H]5C4=O
InChI: InChI=1S/C21H23N3O2S/c25-20-14-7-1-2-8-15(14)21(26)24(20)13-23-12-6-5-10-17(23)19-22-16-9-3-4-11-18(16)27-19/h1-4,9,11,14-15,17H,5-8,10,12-13H2/t14-,15+,17-/m0/s1
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C(=O)O)O4
InChI: InChI=1S/C15H13NO6/c17-14(12-9-3-4-10(22-9)13(12)15(18)19)16-7-1-2-8-11(5-7)21-6-20-8/h1-5,9-10,12-13H,6H2,(H,16,17)(H,18,19)/t9-,10+,12-,13-/m0/s1
SMILES: C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)N4CCOCC4)C)C
InChI: InChI=1S/C18H25N3O3/c1-18-6-7-19(2)16(18)20(3)15-5-4-13(12-14(15)18)24-17(22)21-8-10-23-11-9-21/h4-5,12,16H,6-11H2,1-3H3/t16-,18+/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C5=CC=CC=C5)[C@@H]([C@@]2(C1=O)Cl)C6=CC(=C(C(=C6)I)O)OC)Cl
InChI: InChI=1S/C26H21Cl2IN4O6/c1-30-21(35)25(27)12-17-15(8-9-31-23(37)32(24(38)33(17)31)14-6-4-3-5-7-14)19(26(25,28)22(30)36)13-10-16(29)20(34)18(11-13)39-2/h3-8,10-11,17,19,34H,9,12H2,1-2H3/t17-,19+,25-,26+/m1/s1
SMILES: CCNC(=O)NC1=CC=CC(=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN(CC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C36H41N3O4/c1-3-37-36(41)38-32-16-10-15-31(21-32)35-42-33(26(2)34(43-35)30-19-17-29(25-40)18-20-30)24-39(22-27-11-6-4-7-12-27)23-28-13-8-5-9-14-28/h4-21,26,33-35,40H,3,22-25H2,1-2H3,(H2,37,38,41)/t26-,33+,34+,35+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC(=S)OC4=CC=CC=C4)F
InChI: InChI=1S/C23H30FN5O4SSi/c1-23(2,3)35(4,5)30-11-15-16(24)18(33-22(34)31-14-9-7-6-8-10-14)21(32-15)29-13-28-17-19(25)26-12-27-20(17)29/h6-10,12-13,15-16,18,21H,11H2,1-5H3,(H2,25,26,27)/t15-,16-,18-,21-/m1/s1
SMILES: C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C21H24O5/c1-15-18(22)19(24-13-16-9-5-3-6-10-16)20(21(23-2)26-15)25-14-17-11-7-4-8-12-17/h3-12,15,19-21H,13-14H2,1-2H3/t15-,19+,20-,21+/m1/s1
SMILES: CC1=C([C@@H]2[C@H](C[C@H]1[P@@]2(=S)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C26H26P2S/c1-19-20(2)26-24(18-25(19)28(26,29)23-16-10-5-11-17-23)27(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,24-26H,18H2,1-2H3/t24-,25+,26+,28-/m0/s1
SMILES: C[C@H](CCCO[Si](C)(C)C(C)(C)C)[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)OC5CCCCO5)C)O)C
InChI: InChI=1S/C35H64O4Si/c1-24(12-11-21-38-40(7,8)33(2,3)4)27-14-15-28-32-29(17-19-35(27,28)6)34(5)18-16-26(22-25(34)23-30(32)36)39-31-13-9-10-20-37-31/h24-32,36H,9-23H2,1-8H3/t24-,25-,26+,27-,28+,29+,30-,31?,32+,34+,35-/m1/s1
SMILES: CC[C@H]1[C@@H](OC(=O)C(C1=O)(C)C)C2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C15H17NO5/c1-4-9-12(21-14(18)15(2,3)13(9)17)10-7-5-6-8-11(10)16(19)20/h5-9,12H,4H2,1-3H3/t9-,12+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3CC[C@@H](C4)O
InChI: InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h12,14-17,19-20H,2-10H2,1H3/t12-,14+,15+,16-,17+,18-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)C3=CC=CC=C3OC
InChI: InChI=1S/C19H22N2O5/c1-12-7-3-5-9-14(12)21-18(24)17(23)20(19(21)25)11-15(22)13-8-4-6-10-16(13)26-2/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3/t12-,14-/m1/s1
SMILES: CCC1[C@@]2(C(C(C(=O)C(CC([C@@H]([C@H](C([C@H](C(=O)O1)C)OC3CC(C([C@@H](O3)C)O)(C)OC)C)O[C@@H]4[C@H](C(C[C@@H](O4)C)N(C)C)O)(C)OCCNCCC5=CC=CC=C5)C)C)C(=C)CO2)C
InChI: InChI=1S/C50H82N2O12/c1-15-38-50(11)40(30(3)28-59-50)32(5)41(53)29(2)26-49(10,58-24-23-51-22-21-36-19-17-16-18-20-36)45(64-47-42(54)37(52(12)13)25-31(4)60-47)33(6)43(34(7)46(56)62-38)63-39-27-48(9,57-14)44(55)35(8)61-39/h16-20,29,31-35,37-40,42-45,47,51,54-55H,3,15,21-28H2,1-2,4-14H3/t29?,31-,32?,33-,34+,35-,37?,38?,39?,40?,42-,43?,44?,45+,47+,48?,49?,50+/m0/s1