EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)OC(=O)[C@H]1C(=CS[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)CO
InChI: InChI=1S/C20H24N2O5S/c1-20(2,3)27-19(26)16-13(10-23)11-28-18-15(17(25)22(16)18)21-14(24)9-12-7-5-4-6-8-12/h4-8,11,15-16,18,23H,9-10H2,1-3H3,(H,21,24)/t15-,16-,18-/m1/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@H]3C[C@H](O[C@H](O3)C4=CC=C(C=C4)C5=CC=CC=C5CNC(=O)CCCCCC(=O)NC6=CC=CC=C6N)C7=CC=C(C=C7)CO
InChI: InChI=1S/C52H67N5O6/c1-52(2,3)56-50(61)46-30-29-37-13-8-12-18-45(37)57(46)33-41-31-47(38-23-21-35(34-58)22-24-38)63-51(62-41)39-27-25-36(26-28-39)42-15-9-7-14-40(42)32-54-48(59)19-5-4-6-20-49(60)55-44-17-11-10-16-43(44)53/h7,9-11,14-17,21-28,37,41,45-47,51,58H,4-6,8,12-13,18-20,29-34,53H2,1-3H3,(H,54,59)(H,55,60)(H,56,61)/t37-,41-,45-,46-,47+,51+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H](C2O1)N3C=CC(=O)N(C3=O)CC4=CC=C(C=C4)OC)CO)C
InChI: InChI=1S/C20H24N2O7/c1-20(2)28-16-14(11-23)27-18(17(16)29-20)21-9-8-15(24)22(19(21)25)10-12-4-6-13(26-3)7-5-12/h4-9,14,16-18,23H,10-11H2,1-3H3/t14-,16-,17?,18-/m1/s1
SMILES: CC(=O)O[C@@H]1CC(=O)[C@H]2COC3(CCCC3)O[C@@H]2[C@]14COC(O4)(C)C
InChI: InChI=1S/C18H26O7/c1-11(19)23-14-8-13(20)12-9-21-17(6-4-5-7-17)24-15(12)18(14)10-22-16(2,3)25-18/h12,14-15H,4-10H2,1-3H3/t12-,14-,15+,18+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@H](C4=CC(=O)CC[C@]34C)OC
InChI: InChI=1S/C20H28O3/c1-19-8-6-12(21)10-16(19)17(23-3)11-13-14-4-5-18(22)20(14,2)9-7-15(13)19/h10,13-15,17H,4-9,11H2,1-3H3/t13-,14-,15-,17+,19+,20-/m0/s1
SMILES: CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2CN3C=C(N=N3)CC4CCCCC4
InChI: InChI=1S/C21H35N5O/c1-15(2)22-21(27)20-14-25-9-8-17(20)11-19(25)13-26-12-18(23-24-26)10-16-6-4-3-5-7-16/h12,15-17,19-20H,3-11,13-14H2,1-2H3,(H,22,27)/t17-,19-,20+/m1/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=NC=C3
InChI: InChI=1S/C20H18N6O2/c1-2-28-19(27)26-8-5-14-15(9-21)18(24)20(11-22,12-23)17(16(14)10-26)13-3-6-25-7-4-13/h3-7,16-17H,2,8,10,24H2,1H3/t16-,17-/m0/s1
SMILES: CC(=O)N(CC1=CC=CC=C1)[C@@H](CC=C)[C@H]2[C@H](OC(O2)(C)C)C=C
InChI: InChI=1S/C20H27NO3/c1-6-11-17(19-18(7-2)23-20(4,5)24-19)21(15(3)22)14-16-12-9-8-10-13-16/h6-10,12-13,17-19H,1-2,11,14H2,3-5H3/t17-,18+,19-/m0/s1
SMILES: CCCCC[C@@](C)(/C=C/C1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC)O)O)O
InChI: InChI=1S/C22H38O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h6,8,13,15,17-20,23-24,26H,4-5,7,9-12,14,16H2,1-3H3/b8-6-,15-13+/t17-,18?,19+,20-,22+/m1/s1
SMILES: C1CN([C@H]2[C@@H]1OC(=O)[C@]2(CCCCl)Cl)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C17H19Cl2NO4/c18-9-4-8-17(19)14-13(24-15(17)21)7-10-20(14)16(22)23-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t13-,14+,17-/m1/s1
SMILES: CC(C)C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C)[C@@]3(N1)C4=CC=CC=C4N(C3=O)C
InChI: InChI=1S/C19H23N3O3/c1-10(2)9-12-14-15(17(24)22(4)16(14)23)19(20-12)11-7-5-6-8-13(11)21(3)18(19)25/h5-8,10,12,14-15,20H,9H2,1-4H3/t12-,14-,15+,19+/m1/s1
SMILES: C[C@H]1[C@H](OC(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)C)CSC5=CC=CC=C5N
InChI: InChI=1S/C37H41N3O5S/c1-24-33(23-46-34-11-7-6-10-31(34)38)44-36(45-35(24)29-16-14-28(22-41)15-17-29)30-18-12-27(13-19-30)21-39-37(43)40-32(25(2)42)20-26-8-4-3-5-9-26/h3-19,24,32-33,35-36,41H,20-23,38H2,1-2H3,(H2,39,40,43)/t24-,32+,33+,35+,36?/m0/s1
SMILES: CCCCC1CN(C1C(=O)NC([C@H]2[C@H]([C@H]([C@@H]([C@@H](O2)SC)O)O)O)C(C)C)CCO
InChI: InChI=1S/C20H38N2O6S/c1-5-6-7-12-10-22(8-9-23)14(12)19(27)21-13(11(2)3)18-16(25)15(24)17(26)20(28-18)29-4/h11-18,20,23-26H,5-10H2,1-4H3,(H,21,27)/t12?,13?,14?,15-,16+,17+,18+,20+/m1/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@H](O2)C[C@@H]3CCC[C@@H](O3)CI)O[C@H]1CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C33H47IO4Si/c1-25-18-20-33(21-19-27(37-33)22-26-12-11-13-28(23-34)36-26)38-31(25)24-35-39(32(2,3)4,29-14-7-5-8-15-29)30-16-9-6-10-17-30/h5-10,14-17,25-28,31H,11-13,18-24H2,1-4H3/t25-,26+,27+,28-,31+,33+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC=C6)C[C@H](COCC7=CC=CC=C7)O)O)C(=C5)C(=O)C8=CC(=CC=C8)C(F)(F)F)O)C
InChI: InChI=1S/C47H54F3NO5/c1-42-19-16-36(52)25-44(42)22-23-46(38(26-44)41(54)34-14-9-15-35(24-34)47(48,49)50)39(42)17-20-43(2)40(46)18-21-45(43,55)31-51(27-32-10-5-3-6-11-32)28-37(53)30-56-29-33-12-7-4-8-13-33/h3-15,22-24,26,36-37,39-40,52-53,55H,16-21,25,27-31H2,1-2H3/t36?,37-,39-,40-,42-,43+,44+,45-,46-/m1/s1
SMILES: C[C@]12CCC[C@@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)[C@@H]4CN(C)CC5OCCO5)CO3
InChI: InChI=1S/C20H31NO5/c1-19-4-3-5-20(12-25-20)16(19)8-13-14(18(22)26-15(13)9-19)10-21(2)11-17-23-6-7-24-17/h13-17H,3-12H2,1-2H3/t13-,14-,15-,16-,19-,20+/m1/s1
SMILES: CC(=O)[C@H]1[C@H]([C@@H]([C@](CC1=O)(C)O)C(=O)C)C2=CC(=CC=C2)OC
InChI: InChI=1S/C18H22O5/c1-10(19)15-14(21)9-18(3,22)17(11(2)20)16(15)12-6-5-7-13(8-12)23-4/h5-8,15-17,22H,9H2,1-4H3/t15-,16-,17+,18-/m1/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)N2CCCCCCC2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)CCOCCOCCO
InChI: InChI=1S/C32H47N3O7/c1-4-41-32-26(15-19-39-21-22-40-20-18-36)27(23-28(42-32)30(37)34-16-11-6-5-7-12-17-34)29-24(2)33(3)35(31(29)38)25-13-9-8-10-14-25/h8-10,13-14,23,26-27,32,36H,4-7,11-12,15-22H2,1-3H3/t26-,27-,32+/m0/s1
SMILES: COC1=CC=C(C=C1)SC(=S)NC2=CC=CC=C2CO[C@@H]3CC[C@]4([C@H]5CC6=C7[C@]4([C@H]3OC7=C(C=C6)O)CCN5CC8CC8)O
InChI: InChI=1S/C35H38N2O5S2/c1-40-24-9-11-25(12-10-24)44-33(43)36-26-5-3-2-4-23(26)20-41-28-14-15-35(39)29-18-22-8-13-27(38)31-30(22)34(35,32(28)42-31)16-17-37(29)19-21-6-7-21/h2-5,8-13,21,28-29,32,38-39H,6-7,14-20H2,1H3,(H,36,43)/t28-,29-,32+,34+,35-/m1/s1
SMILES: C[C@H]1CCC=C2[C@@]1([C@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3CNC4CCN(CC4)CC5=CC=CC=C5)O)C
InChI: InChI=1S/C27H38N2O3/c1-18-7-6-10-20-15-23-24(25(30)27(18,20)2)22(26(31)32-23)16-28-21-11-13-29(14-12-21)17-19-8-4-3-5-9-19/h3-5,8-10,18,21-25,28,30H,6-7,11-17H2,1-2H3/t18-,22-,23+,24+,25-,27+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@](C)([C@@H]5CCC(=O)O5)O[Si](C)(C)C(C)(C)C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C37H68O4Si2/c1-33(2,3)42(10,11)40-26-20-22-35(7)25(24-26)14-15-27-28-16-17-30(36(28,8)23-21-29(27)35)37(9,31-18-19-32(38)39-31)41-43(12,13)34(4,5)6/h25-31H,14-24H2,1-13H3/t25-,26-,27-,28-,29-,30-,31-,35-,36-,37+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3S(=O)(=O)CC4=CC=CC=C4)N(C1=O)C(=O)C5CC5
InChI: InChI=1S/C23H29N3O5S/c1-15-20-18(26(21(15)27)22(28)17-9-10-17)11-13-24(20)23(29)19-8-5-12-25(19)32(30,31)14-16-6-3-2-4-7-16/h2-4,6-7,15,17-20H,5,8-14H2,1H3/t15-,18-,19-,20+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)Cl)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C23H19Cl2N3O4S/c1-2-32-23(31)20-19(15-5-3-4-6-17(15)25)16(11-26)22(28-21(20)30)33-12-18(29)27-14-9-7-13(24)8-10-14/h3-10,19-20H,2,12H2,1H3,(H,27,29)(H,28,30)/t19-,20-/m0/s1
SMILES: CC(C)(C)[P@@]1(=O)CC2=CC=CC=C2[C@H]1[C@@H]3C4=CC=CC=C4C[P@]3(=O)C(C)(C)C
InChI: InChI=1S/C24H32O2P2/c1-23(2,3)27(25)15-17-11-7-9-13-19(17)21(27)22-20-14-10-8-12-18(20)16-28(22,26)24(4,5)6/h7-14,21-22H,15-16H2,1-6H3/t21-,22-,27+,28+/m0/s1
SMILES: CCOC(=O)CCC[C@@H](CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)OC(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C
InChI: InChI=1S/C36H54O6Si/c1-8-39-34(37)21-15-16-29(41-35(38)42-33-26-28(4)22-23-32(33)27(2)3)24-25-40-43(36(5,6)7,30-17-11-9-12-18-30)31-19-13-10-14-20-31/h9-14,17-20,27-29,32-33H,8,15-16,21-26H2,1-7H3/t28-,29+,32+,33-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CS[C@H]5CCN(C5)C)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])[C@@H](C)O
InChI: InChI=1S/C35H41N5O10S2/c1-20-30-29(21(2)41)33(42)38(30)31(34(43)49-17-22-4-8-24(9-5-22)39(45)46)32(20)52-28-14-26(19-51-27-12-13-36(3)15-27)37(16-28)35(44)50-18-23-6-10-25(11-7-23)40(47)48/h4-11,20-21,26-30,41H,12-19H2,1-3H3/t20-,21-,26+,27+,28+,29-,30-/m1/s1
SMILES: CCCC[C@H]([C@@H]\1CC[C@H]([C@@H](/C1=C\[Si](C)(C)C)CCC(=O)CCCC)C)C(=O)O
InChI: InChI=1S/C24H44O3Si/c1-7-9-11-19(25)14-16-20-18(3)13-15-21(23(20)17-28(4,5)6)22(24(26)27)12-10-8-2/h17-18,20-22H,7-16H2,1-6H3,(H,26,27)/b23-17+/t18-,20+,21+,22-/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6)N7CCCC7)N8CCCC8)C)C)O
InChI: InChI=1S/C38H60N6O2/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44/h24,26-31,35,45H,4-23,25H2,1-3H3/t26-,27+,28+,29-,30+,31+,35-,37+,38+/m1/s1
SMILES: COC(=O)CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
InChI: InChI=1S/C25H24O15/c1-36-16(30)7-17(31)37-8-15-19(32)21(34)22(35)25(39-15)40-24-20(33)18-13(29)5-10(26)6-14(18)38-23(24)9-2-3-11(27)12(28)4-9/h2-6,15,19,21-22,25-29,32,34-35H,7-8H2,1H3/t15-,19-,21+,22-,25+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OC(=O)CSC2=NN=NN2C3=CC=CC=C3C)C(C)C
InChI: InChI=1S/C20H28N4O2S/c1-13(2)16-10-9-14(3)11-18(16)26-19(25)12-27-20-21-22-23-24(20)17-8-6-5-7-15(17)4/h5-8,13-14,16,18H,9-12H2,1-4H3/t14-,16+,18+/m1/s1
SMILES: CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C
InChI: InChI=1S/C23H26O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h7-10,12,17-18H,4-6,11,13H2,1-3H3/t17-,18-,22-,23-/m0/s1
SMILES: CCOC1=CC=C(C=C1)[C@H]2[C@H](C(=C)NC3=NC=NN23)C(=O)NC4=CC=CC=C4C
InChI: InChI=1S/C22H23N5O2/c1-4-29-17-11-9-16(10-12-17)20-19(15(3)25-22-23-13-24-27(20)22)21(28)26-18-8-6-5-7-14(18)2/h5-13,19-20H,3-4H2,1-2H3,(H,26,28)(H,23,24,25)/t19-,20-/m0/s1
SMILES: C[C@@H](C(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=C3CCC5(C4)OCCO5)C)C)O
InChI: InChI=1S/C24H34O4/c1-15(25)21(26)23(3)10-8-20-19-5-4-16-14-24(27-12-13-28-24)11-7-17(16)18(19)6-9-22(20,23)2/h6,15,19-20,25H,4-5,7-14H2,1-3H3/t15-,19+,20-,22-,23+/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)NC(=O)CCl)\C(=O)N[C@H]2[C@H](N(C2=O)S(=O)(=O)O)N3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C19H15ClN6O9S2/c1-35-24-12(10-7-36-19(21-10)22-11(27)6-20)14(28)23-13-15(26(18(13)31)37(32,33)34)25-16(29)8-4-2-3-5-9(8)17(25)30/h2-5,7,13,15H,6H2,1H3,(H,23,28)(H,21,22,27)(H,32,33,34)/b24-12-/t13-,15-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=CC(=CC=C4)O)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)CCCCCC(=O)O
InChI: InChI=1S/C40H37NO7/c42-27-16-10-13-25(21-27)36-28-18-19-29-35(39(48)41(38(29)47)20-9-3-8-17-34(44)45)31(28)22-32-37(46)30(24-11-4-1-5-12-24)23-33(43)40(32,36)26-14-6-2-7-15-26/h1-2,4-7,10-16,18,21,23,29,31-32,35-36,42H,3,8-9,17,19-20,22H2,(H,44,45)/t29-,31+,32-,35-,36-,40-/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CN=[N+]=[N-])O)O)CO)O)O)O)N=[N+]=[N-]
InChI: InChI=1S/C12H20N6O9/c13-17-15-1-4-6(20)8(22)9(23)11(25-4)27-12(3-19)10(24)7(21)5(26-12)2-16-18-14/h4-11,19-24H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@@H](CC1=CC=CC=C1)N(C)C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC=C(C=C6)C=COCCO)OC7(O5)CC8=CC=CC=C8C7
InChI: InChI=1S/C48H57N3O12/c1-46(2,3)60-38(54)19-18-35(29-53)49-43(55)36(24-31-10-6-5-7-11-31)50(4)45(57)48-27-37-39-40(62-47(61-39)25-33-12-8-9-13-34(33)26-47)42(48)63-51(41(48)44(56)59-37)28-32-16-14-30(15-17-32)20-22-58-23-21-52/h5-17,20,22,35-37,39-42,52-53H,18-19,21,23-29H2,1-4H3,(H,49,55)/t35-,36+,37+,39-,40-,41-,42+,48-/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CO)C
InChI: InChI=1S/C12H20O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10,13H,5H2,1-4H3/t6-,7+,8+,9-,10+/m1/s1
SMILES: C1C[C@H]2CC(C([C@H]2[C@@H](C1)SC3=CC=CC=N3)(Cl)Cl)(F)F
InChI: InChI=1S/C14H15Cl2F2NS/c15-14(16)12-9(8-13(14,17)18)4-3-5-10(12)20-11-6-1-2-7-19-11/h1-2,6-7,9-10,12H,3-5,8H2/t9-,10+,12+/m0/s1
SMILES: COCC[C@H]([C@H]1[C@H](CC2=CC=CC=C12)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O
InChI: InChI=1S/C23H23ClN2O4/c1-30-9-8-17(23(28)29)21-16-5-3-2-4-13(16)11-19(21)26-22(27)20-12-14-10-15(24)6-7-18(14)25-20/h2-7,10,12,17,19,21,25H,8-9,11H2,1H3,(H,26,27)(H,28,29)/t17-,19+,21+/m1/s1
SMILES: C[C@@]1(CSC2=C([C@H]1CC=C)C=CC(=C2)OC)C3=CC=C(C=C3)OC
InChI: InChI=1S/C21H24O2S/c1-5-6-19-18-12-11-17(23-4)13-20(18)24-14-21(19,2)15-7-9-16(22-3)10-8-15/h5,7-13,19H,1,6,14H2,2-4H3/t19-,21-/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@@H]3CC[C@@]4([C@@H]([C@@H]3CC=C2C1)CC[C@@H]4C5(OCCO5)CBr)C)C
InChI: InChI=1S/C25H37BrO4/c1-16(27)30-18-8-10-23(2)17(14-18)4-5-19-20-6-7-22(24(20,3)11-9-21(19)23)25(15-26)28-12-13-29-25/h4,18-22H,5-15H2,1-3H3/t18-,19+,20-,21-,22+,23-,24-/m1/s1
SMILES: CC(=O)N1CCC(CC1)C(=O)N[C@H]2C[C@@H]3C(=O)N[C@H]4CCN([C@@H]4C(=O)N3C2)C(=O)[C@H](C5=CC=CC=C5)O
InChI: InChI=1S/C26H33N5O6/c1-15(32)29-10-7-17(8-11-29)23(34)27-18-13-20-24(35)28-19-9-12-30(21(19)25(36)31(20)14-18)26(37)22(33)16-5-3-2-4-6-16/h2-6,17-22,33H,7-14H2,1H3,(H,27,34)(H,28,35)/t18-,19-,20+,21-,22-/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C=C[C@@H]([C@H](O3)C(=O)OC)NC(=O)C[C@H](CCN(C)/C(=N\C(=O)OC(C)(C)C)/N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C49H72N8O14/c1-45(2,3)30-20-18-29(19-21-30)37(59)52-33-25-27-56(40(61)53-33)35-23-22-32(36(67-35)38(60)66-17)51-34(58)28-31(50-41(62)68-46(4,5)6)24-26-55(16)39(54-42(63)69-47(7,8)9)57(43(64)70-48(10,11)12)44(65)71-49(13,14)15/h18-23,25,27,31-32,35-36H,24,26,28H2,1-17H3,(H,50,62)(H,51,58)(H,52,53,59,61)/b54-39+/t31-,32-,35+,36-/m0/s1
SMILES: CC1=CC(=C(C=C1)C)N2[C@@H]([C@@H](C2=O)OC3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C25H24ClNO4/c1-15-5-6-16(2)20(13-15)27-23(17-7-12-21(29-3)22(14-17)30-4)24(25(27)28)31-19-10-8-18(26)9-11-19/h5-14,23-24H,1-4H3/t23-,24+/m1/s1
SMILES: CC(=O)C1=C(C(=C(C=C1)OC)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O
InChI: InChI=1S/C23H28O12/c1-10(24)15-7-8-16(30-6)18(19(15)29)21-23(34-14(5)28)22(33-13(4)27)20(32-12(3)26)17(35-21)9-31-11(2)25/h7-8,17,20-23,29H,9H2,1-6H3/t17-,20-,21+,22+,23+/m1/s1
SMILES: COC1=CC(=C(C=C1NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)OC)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H28N2O4/c1-29-21-14-20(26-24(28)16-6-4-3-5-7-16)22(30-2)13-19(21)25-23(27)12-18-11-15-8-9-17(18)10-15/h3-7,13-15,17-18H,8-12H2,1-2H3,(H,25,27)(H,26,28)/t15-,17-,18+/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]3[C@H](C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C20H16BrN3O5/c1-28-14-9-7-13(8-10-14)24-17-15(16(22-24)20(27)29-2)18(25)23(19(17)26)12-5-3-11(21)4-6-12/h3-10,15,17H,1-2H3/t15-,17+/m0/s1
SMILES: C/C=C/C1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C
InChI: InChI=1S/C19H25NO2/c1-4-5-13-6-8-14(9-7-13)16-12-15-10-11-17(20(15)2)18(16)19(21)22-3/h4-9,15-18H,10-12H2,1-3H3/b5-4+/t15-,16+,17+,18-/m0/s1
SMILES: CC1=C[C@H]2[C@H](CC(=O)C[C@H]2[C@H](C)COCC3=CC=C(C=C3)OC)[C@@H](C1)[C@H](COCC4=CC=C(C=C4)OC)C(C)C
InChI: InChI=1S/C35H48O5/c1-23(2)35(22-40-21-27-9-13-30(38-6)14-10-27)33-16-24(3)15-32-31(17-28(36)18-34(32)33)25(4)19-39-20-26-7-11-29(37-5)12-8-26/h7-15,23,25,31-35H,16-22H2,1-6H3/t25-,31+,32-,33-,34+,35-/m1/s1
SMILES: CC1=C(C[C@@H]([C@@H](C1)C(=O)NC2=CC=CC=C2F)C(=O)O)C
InChI: InChI=1S/C16H18FNO3/c1-9-7-11(12(16(20)21)8-10(9)2)15(19)18-14-6-4-3-5-13(14)17/h3-6,11-12H,7-8H2,1-2H3,(H,18,19)(H,20,21)/t11-,12+/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)C(=C)C[C@@]34C
InChI: InChI=1S/C21H30O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h11,15-17,23H,1,5-10,12H2,2-4H3/t15-,16-,17-,19+,20+,21-/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Cl)C)C5=CC6=C(C=C5)OCO6)CCCO
InChI: InChI=1S/C33H31ClN2O8/c1-3-41-33-23(5-4-12-37)24(19-6-11-27-28(14-19)43-17-42-27)16-29(44-33)30(38)35-21-8-10-26(18(2)13-21)36-31(39)22-9-7-20(34)15-25(22)32(36)40/h6-11,13-16,23-24,33,37H,3-5,12,17H2,1-2H3,(H,35,38)/t23-,24-,33-/m1/s1
SMILES: C1[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC=CC=C3)O[P+](=O)[O-])O[P+](=O)[O-])OC(O1)C4=CC=CC=C4
InChI: InChI=1S/C20H20O10P2/c21-31(22)29-17-16-15(12-26-19(28-16)14-9-5-2-6-10-14)27-20(18(17)30-32(23)24)25-11-13-7-3-1-4-8-13/h1-10,15-20H,11-12H2/t15-,16+,17+,18-,19?,20-/m1/s1
SMILES: CCOP(=O)([C@]1(C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=C(C(=O)NC5=O)C)O[Si](C)(C)C)OCC
InChI: InChI=1S/C36H45N2O8PSi/c1-7-43-47(41,44-8-2)35(46-48(4,5)6)24-32(38-25-27(3)33(39)37-34(38)40)45-31(35)26-42-36(28-18-12-9-13-19-28,29-20-14-10-15-21-29)30-22-16-11-17-23-30/h9-23,25,31-32H,7-8,24,26H2,1-6H3,(H,37,39,40)/t31-,32-,35+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](C[C@H](O1)N2C=NC3=C2N=C(N=C3OCC=C)NCC=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H49N5O4Si2/c1-13-15-29-26-31-24-23(25(32-26)34-16-14-2)30-19-33(24)22-17-20(37-39(11,12)28(6,7)8)21(36-22)18-35-38(9,10)27(3,4)5/h13-14,19-22H,1-2,15-18H2,3-12H3,(H,29,31,32)/t20-,21+,22+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)([O-])[O-])O.[Na+].[Na+]
InChI: InChI=1S/C9H13N2O8P.2Na/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17;;/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17);;/q;2*+1/p-2/t5-,6+,8+;;/m0../s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2[C@H]([C@@H]2CO)C)C(C)C
InChI: InChI=1S/C16H28O3/c1-9(2)12-6-5-10(3)7-14(12)19-16(18)15-11(4)13(15)8-17/h9-15,17H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15+/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](OC(=O)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)C(=O)O2)C7=CC=CC=C7
InChI: InChI=1S/C36H24O4/c37-35-29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)36(38)40-34(26-15-5-2-6-16-26)33(39-35)25-13-3-1-4-14-25/h1-22,33-34H/t33-,34-/m0/s1
SMILES: CC(=O)NC1CC2(CCN(CC2)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C)C5=CC=CC=C15
InChI: InChI=1S/C30H37F2N3O2/c1-19(36)33-27-16-30(25-8-6-5-7-22(25)27)11-13-34(14-12-30)28(37)24-18-35(29(2,3)4)17-23(24)21-10-9-20(31)15-26(21)32/h5-10,15,23-24,27H,11-14,16-18H2,1-4H3,(H,33,36)/t23-,24+,27?/m0/s1
SMILES: COC1=C(C=C(C=C1)CCN2[C@@H]([C@H](C2=O)OC3=CC=CC=C3)C4=C(C(=CC=C4)Cl)Cl)OC
InChI: InChI=1S/C25H23Cl2NO4/c1-30-20-12-11-16(15-21(20)31-2)13-14-28-23(18-9-6-10-19(26)22(18)27)24(25(28)29)32-17-7-4-3-5-8-17/h3-12,15,23-24H,13-14H2,1-2H3/t23-,24-/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@@H]3C[C@H]4[C@H]2CC[C@H]5[C@@]4(CC[C@H](C5)OC(=O)CC6=CC7=C(C=C6)N8CC9=C(C=CC(=C9)CCCC(=O)O3)N(C7)C8)C)C
InChI: InChI=1S/C46H60N2O6/c1-28(8-17-42(49)52-4)36-13-14-37-35-12-11-33-23-34-18-19-45(33,2)38(35)24-41(46(36,37)3)54-43(50)7-5-6-29-9-15-39-31(20-29)25-47-27-48(39)26-32-21-30(10-16-40(32)47)22-44(51)53-34/h9-10,15-16,20-21,28,33-38,41H,5-8,11-14,17-19,22-27H2,1-4H3/t28-,33-,34-,35+,36-,37+,38+,41+,45+,46-/m1/s1
SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.CS(=O)(=O)[O-]
InChI: InChI=1S/C19H22NO4S2.CH4O3S/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;1-5(2,3)4/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t11?,12-,13+,16+,17-;
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])ON2C5=CC=CC=C5
InChI: InChI=1S/C23H17N3O5/c27-22-19-20(15-7-3-1-4-8-15)25(17-9-5-2-6-10-17)31-21(19)23(28)24(22)16-11-13-18(14-12-16)26(29)30/h1-14,19-21H/t19-,20+,21+/m1/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC=C3I)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C38H57IN2O10/c1-7-9-13-19-38(20-14-10-8-2)49-30-22-25(21-29(33(30)51-38)48-36(47)27-15-11-12-16-28(27)39)34(45)41-32(24(3)43)35(46)40-26(23-42)17-18-31(44)50-37(4,5)6/h11-12,15-16,22,24,26,29-30,32-33,42-43H,7-10,13-14,17-21,23H2,1-6H3,(H,40,46)(H,41,45)/t24-,26-,29+,30+,32+,33-/m0/s1
SMILES: C[C@]12CC[C@H](C[C@]13[C@@H](O3)C[C@@H]4[C@@H]2CC[C@@]5([C@@H]4CC[C@]5(C#C)O)C)O
InChI: InChI=1S/C21H30O3/c1-4-20(23)10-7-15-14-11-17-21(24-17)12-13(22)5-8-19(21,3)16(14)6-9-18(15,20)2/h1,13-17,22-23H,5-12H2,2-3H3/t13-,14+,15-,16+,17+,18-,19-,20+,21+/m1/s1
SMILES: CC(C)N(C[C@H]1CNC[C@@H]1CC2=CC=CC=C2)CC3=CC(=C(C=C3)OC)OCCCOC
InChI: InChI=1S/C27H40N2O3/c1-21(2)29(20-25-18-28-17-24(25)15-22-9-6-5-7-10-22)19-23-11-12-26(31-4)27(16-23)32-14-8-13-30-3/h5-7,9-12,16,21,24-25,28H,8,13-15,17-20H2,1-4H3/t24-,25+/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)OCC6=C(C=CC(=C6)F)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)O
InChI: InChI=1S/C41H42FNO20/c1-14-29(46)19(43-40(56)59-13-15-8-16(42)6-7-20(15)62-39-36(53)34(51)35(52)37(63-39)38(54)55)9-24(60-14)61-22-11-41(57,23(45)12-44)10-18-26(22)33(50)28-27(31(18)48)30(47)17-4-3-5-21(58-2)25(17)32(28)49/h3-8,14,19,22,24,29,34-37,39,44,46,48,50-53,57H,9-13H2,1-2H3,(H,43,56)(H,54,55)/t14-,19-,22-,24-,29+,34-,35-,36+,37-,39+,41-/m0/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C24H24N2O3/c1-13-5-3-6-14(2)21(13)25-22(27)17-7-4-8-18(12-17)26-23(28)19-15-9-10-16(11-15)20(19)24(26)29/h3-8,12,15-16,19-20H,9-11H2,1-2H3,(H,25,27)/t15-,16+,19-,20-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C8H14O7/c1-3(10)14-8-7(13)6(12)5(11)4(2-9)15-8/h4-9,11-13H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1
SMILES: CC(C)OC(=O)NCCCCC(C)(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
InChI: InChI=1S/C35H52N4O9S/c1-24(2)47-33(41)37-18-9-8-17-35(3,4)23-39(49(43,44)27-14-12-26(36)13-15-27)21-30(40)29(20-25-10-6-5-7-11-25)38-34(42)48-31-22-46-32-28(31)16-19-45-32/h5-7,10-15,24,28-32,40H,8-9,16-23,36H2,1-4H3,(H,37,41)(H,38,42)/t28-,29-,30+,31-,32+/m0/s1
SMILES: CC1=CC[C@@H](OC1=O)[C@H](C)C2=CC[C@]3([C@@H]4CC[C@@H]5C(=C[C@]4(C[C@H]3C2=C)O)C=CC(=O)OC5(C)C)C
InChI: InChI=1S/C30H38O5/c1-17-7-10-24(34-27(17)32)19(3)21-13-14-29(6)23(18(21)2)16-30(33)15-20-8-12-26(31)35-28(4,5)22(20)9-11-25(29)30/h7-8,12-13,15,19,22-25,33H,2,9-11,14,16H2,1,3-6H3/t19-,22-,23+,24-,25+,29-,30-/m1/s1
SMILES: CC1=CC=C(C=C1)CN2C(=O)O[C@H]([C@@]2(C3=CC=C(C=C3)OC)O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C25H25NO5/c1-17-4-6-18(7-5-17)16-26-24(27)31-23(19-8-12-21(29-2)13-9-19)25(26,28)20-10-14-22(30-3)15-11-20/h4-15,23,28H,16H2,1-3H3/t23-,25+/m0/s1
SMILES: C[C@@]12CC[C@]3([C@@H]1[C@]4(CC(=O)C(=C)[C@H]4C2)C(=O)C3)C
InChI: InChI=1S/C16H20O2/c1-9-10-6-14(2)4-5-15(3)8-12(18)16(10,13(14)15)7-11(9)17/h10,13H,1,4-8H2,2-3H3/t10-,13-,14+,15-,16+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](CC4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O[Si](C)C)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)OC)O[Si](C(C)C)(C(C)C)OC)C)OC(=O)C
InChI: InChI=1S/C40H59O13Si2/c1-22(2)55(47-11,23(3)4)52-28-19-29-39(21-48-29,51-36(45)46-10)32-34(50-35(44)26-17-15-14-16-18-26)40(53-54(12)13)20-27(42)24(5)30(37(40,7)8)31(49-25(6)41)33(43)38(28,32)9/h14-18,22-23,27-29,31-32,34,42H,19-21H2,1-13H3/t27-,28-,29?,31+,32?,34-,38+,39-,40+/m0/s1
SMILES: C1=C2C(=S)NC(=O)N(C2=NC=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C11H12N4O5S/c16-2-5-6(17)7(18)10(20-5)15-8-4(1-12-3-13-8)9(21)14-11(15)19/h1,3,5-7,10,16-18H,2H2,(H,14,19,21)/t5-,6-,7-,10-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H22O8S/c1-10(19)23-9-14-16(24-11(2)20)17(25-12(3)21)15(22)18(26-14)27-13-7-5-4-6-8-13/h4-8,14-18,22H,9H2,1-3H3/t14-,15-,16+,17-,18+/m1/s1
SMILES: C1[C@H]([C@H]([C@@H]2[C@@H]([C@@H](CN2C1=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C36H37NO5/c38-33-21-31(39-23-27-13-5-1-6-14-27)35(41-25-29-17-9-3-10-18-29)34-36(42-26-30-19-11-4-12-20-30)32(22-37(33)34)40-24-28-15-7-2-8-16-28/h1-20,31-32,34-36H,21-26H2/t31-,32-,34-,35-,36-/m1/s1
SMILES: C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)[C@@H]4CC=CC[C@H]4C(=O)O
InChI: InChI=1S/C20H29NO3/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-18(22)16-4-2-3-5-17(16)19(23)24/h2-3,12-17H,4-11H2,1H3,(H,21,22)(H,23,24)/t12-,13?,14?,15?,16+,17+,20?/m0/s1
SMILES: C[C@@H]1C=CCC([C@H]1C(=O)C[C@@H](C)NNC(=O)C2=CC=NC=C2)(C)C
InChI: InChI=1S/C19H27N3O2/c1-13-6-5-9-19(3,4)17(13)16(23)12-14(2)21-22-18(24)15-7-10-20-11-8-15/h5-8,10-11,13-14,17,21H,9,12H2,1-4H3,(H,22,24)/t13-,14-,17-/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6CCCCC6)I)O
InChI: InChI=1S/C29H27BrINO6/c1-38-22-10-13(9-20(31)27(22)35)23-15-7-8-16-24(29(37)32(28(16)36)14-5-3-2-4-6-14)17(15)11-18-25(23)21(33)12-19(30)26(18)34/h7,9-10,12,14,16-17,23-24,35H,2-6,8,11H2,1H3/t16-,17+,23-,24-/m0/s1
SMILES: CC(C)(C)C1=NO[C@@H]2[C@H]1CC[C@@H]2N(C)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H24N2O2/c1-18(2,3)16-13-10-11-14(15(13)22-19-16)20(4)17(21)12-8-6-5-7-9-12/h5-9,13-15H,10-11H2,1-4H3/t13-,14+,15-/m1/s1
SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@@H]1CC[C@H]2[C@@]1([C@@H](C[C@@H]3[C@@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18-,19+,20-,21-,22-,25+,26-/m1/s1