EdisonScientific/glyph-datasets huggingface dataset:
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)C5=C(C(=C(C(=C5F)F)F)F)F)CN6CCC7(CC6)C(=O)NCN7C8=CC=CC=C8
InChI: InChI=1S/C46H43F5N4O5/c1-27-35(24-54-20-18-46(19-21-54)45(58)53-26-55(46)34-8-3-2-4-9-34)59-44(60-42(27)31-12-10-28(25-56)11-13-31)32-16-14-30(15-17-32)33-7-5-6-29(22-33)23-52-43(57)36-37(47)39(49)41(51)40(50)38(36)48/h2-17,22,27,35,42,44,56H,18-21,23-26H2,1H3,(H,52,57)(H,53,58)/t27-,35+,42+,44+/m0/s1
SMILES: CCCCC[C@@H]1[C@H](N([C@@H](CC1=O)C2=CC=CC=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C23H29NO/c1-3-4-7-16-20-22(25)17-21(18-12-8-5-9-13-18)24(2)23(20)19-14-10-6-11-15-19/h5-6,8-15,20-21,23H,3-4,7,16-17H2,1-2H3/t20-,21-,23+/m0/s1
SMILES: C[C@@H]1CCC2[C@H](C(O[C@H]3C24[C@H]1CC[C@](O3)(OO4)C)OC(C#N)C5=CC(=C(C=C5)OC)OC)C
InChI: InChI=1S/C25H33NO7/c1-14-6-8-18-15(2)22(29-21(13-26)16-7-9-19(27-4)20(12-16)28-5)30-23-25(18)17(14)10-11-24(3,31-23)32-33-25/h7,9,12,14-15,17-18,21-23H,6,8,10-11H2,1-5H3/t14-,15-,17+,18?,21?,22?,23-,24-,25?/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)C4=C(C(=C(C(=C4F)F)F)F)F)CSC5=NN=NN5C6=CC=CC=C6
InChI: InChI=1S/C34H28F5N5O4S/c1-18-24(17-49-34-41-42-43-44(34)23-5-3-2-4-6-23)47-33(48-31(18)21-11-9-20(16-45)10-12-21)22-13-7-19(8-14-22)15-40-32(46)25-26(35)28(37)30(39)29(38)27(25)36/h2-14,18,24,31,33,45H,15-17H2,1H3,(H,40,46)/t18-,24+,31+,33+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@]23[C@H]1CC[C@](C=C2)(OO3)C)[C@@H](C)COCC4=CC=CC=C4
InChI: InChI=1S/C23H32O3/c1-17-9-10-20(18(2)15-24-16-19-7-5-4-6-8-19)23-14-13-22(3,25-26-23)12-11-21(17)23/h4-8,13-14,17-18,20-21H,9-12,15-16H2,1-3H3/t17-,18+,20+,21+,22-,23+/m1/s1
SMILES: CCO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC4=CC=[N+](C=C4)CC(=O)O)C(=O)[O-]
InChI: InChI=1S/C22H22N6O7S3/c1-2-35-26-15(13-10-38-22(23)24-13)18(31)25-16-19(32)28-17(21(33)34)11(9-37-20(16)28)8-36-12-3-5-27(6-4-12)7-14(29)30/h3-6,10,16,20H,2,7-9H2,1H3,(H4-,23,24,25,29,30,31,33,34)/b26-15-/t16-,20-/m1/s1
SMILES: CCCCC1=N[C@@H]([C@H](C(=O)N1)C(=O)OCC)C2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C
InChI: InChI=1S/C28H34N2O5/c1-6-8-13-22-29-24(23(25(31)30-22)27(33)34-7-2)19-16-14-18(15-17-19)20-11-9-10-12-21(20)26(32)35-28(3,4)5/h9-12,14-17,23-24H,6-8,13H2,1-5H3,(H,29,30,31)/t23-,24-/m1/s1
SMILES: C[C@H](CBr)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)C)OC(=O)C)C)C
InChI: InChI=1S/C26H39BrO4/c1-15(14-27)21-8-9-22-20-7-6-18-12-19(30-16(2)28)13-24(31-17(3)29)26(18,5)23(20)10-11-25(21,22)4/h6,15,19-24H,7-14H2,1-5H3/t15-,19-,20+,21-,22+,23+,24+,25-,26+/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCC3=CC=CS3)C[C@H](COCC4=CC=CC=C4)O)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=CC=C6C7=CC=CC=C7)C
InChI: InChI=1S/C51H59NO5S/c1-37-13-11-27-50(2)48(25-28-51(50,56)36-52(29-26-43-18-12-30-58-43)33-42(54)35-57-34-38-14-5-3-6-15-38)45-24-22-39(31-41(53)23-21-37)32-47(45)49(55)46-20-10-9-19-44(46)40-16-7-4-8-17-40/h3-10,12-20,22,24,30,32,41-42,48,53-54,56H,11,21,23,25-29,31,33-36H2,1-2H3/t41-,42+,48-,50-,51+/m0/s1
SMILES: C1[C@@H]([C@H](OC2=C1C(=CC3=C2[C@@H]4[C@H]([C@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C=C7)O)O)O
InChI: InChI=1S/C30H24O13/c31-12-6-17(35)23-21(7-12)42-30(11-4-18(36)26(39)19(37)5-11)29(40)25(23)24-22(43-30)9-15(33)13-8-20(38)27(41-28(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,20,25,27,29,31-40H,8H2/t20-,25+,27+,29+,30-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@]5([C@@](C4)(OCCO5)C)C)C)C
InChI: InChI=1S/C31H54O2/c1-21(2)9-8-10-22(3)25-13-14-26-24-12-11-23-19-30(6)31(7,33-18-17-32-30)20-29(23,5)27(24)15-16-28(25,26)4/h21-27H,8-20H2,1-7H3/t22-,23+,24+,25-,26+,27+,28-,29+,30-,31-/m1/s1
SMILES: C1[C@@H]2C[C@@H]([C@H]1C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3
InChI: InChI=1S/C17H15N3/c18-10-14(9-13-8-11-5-6-12(13)7-11)17-19-15-3-1-2-4-16(15)20-17/h1-6,9,11-13H,7-8H2,(H,19,20)/b14-9+/t11-,12+,13-/m1/s1
SMILES: CCOC(=O)/C(=C/1\N[C@H]([C@H](O1)C2=CC=CC=C2)CO)/C#N
InChI: InChI=1S/C15H16N2O4/c1-2-20-15(19)11(8-16)14-17-12(9-18)13(21-14)10-6-4-3-5-7-10/h3-7,12-13,17-18H,2,9H2,1H3/b14-11+/t12-,13+/m0/s1
SMILES: C[C@H]1[C@H]2C[C@]3(C[C@@]1(C[C@@](C2)(C3)[C@@]4(CC(=O)O4)C)C)C
InChI: InChI=1S/C17H26O2/c1-11-12-5-14(2)8-15(11,3)10-17(6-12,9-14)16(4)7-13(18)19-16/h11-12H,5-10H2,1-4H3/t11-,12-,14-,15+,16-,17+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=C(C=C(C=C3C)C)C
InChI: InChI=1S/C22H29N3O5/c1-13-9-14(2)19(15(3)10-13)23-17(26)12-30-18(27)11-25-20(28)22(24-21(25)29)8-6-5-7-16(22)4/h9-10,16H,5-8,11-12H2,1-4H3,(H,23,26)(H,24,29)/t16-,22-/m0/s1
SMILES: C1CC2=C(C1O)C=CC(=C2)[C@H]3[C@@H](CC(=O)[C@@H]3C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C21H26O5/c22-17-10-8-13-11-14(7-9-15(13)17)21-16(18(23)12-19(21)24)5-3-1-2-4-6-20(25)26/h1,3,7,9,11,16-17,19,21-22,24H,2,4-6,8,10,12H2,(H,25,26)/b3-1-/t16-,17?,19+,21+/m0/s1
SMILES: CCCCCCCC[C@]12[C@H](OC(=O)N1NC(=O)OC(C)(C)C)ON=C2C3=CC=CC=C3
InChI: InChI=1S/C23H33N3O5/c1-5-6-7-8-9-13-16-23-18(17-14-11-10-12-15-17)25-31-19(23)29-21(28)26(23)24-20(27)30-22(2,3)4/h10-12,14-15,19H,5-9,13,16H2,1-4H3,(H,24,27)/t19-,23+/m1/s1
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])[C@@H]3[C@H]([C@H](SC4=C3SC(=O)N4)C(=O)O)C(=O)O2
InChI: InChI=1S/C14H8N2O7S2/c17-12(18)10-8-7(9-11(24-10)15-14(20)25-9)5-3-4(16(21)22)1-2-6(5)23-13(8)19/h1-3,7-8,10H,(H,15,20)(H,17,18)/t7-,8-,10+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)O)O)O)O)O
InChI: InChI=1S/C14H25NO17S2/c1-4(16)15-7-9(18)12(6(30-13(7)21)3-29-34(25,26)27)32-14-11(20)10(19)8(17)5(31-14)2-28-33(22,23)24/h5-14,17-21H,2-3H2,1H3,(H,15,16)(H,22,23,24)(H,25,26,27)/t5-,6-,7-,8+,9-,10+,11-,12-,13?,14+/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)C6=CC=CC=C6)CCCCO)CCCCO)OCC=C)N(C)C(=O)C7CC7
InChI: InChI=1S/C48H60N2O7/c1-6-28-54-48-43(50(5)46(53)34-18-19-34)31-41(49-57-47(2,3)4)39-29-35(16-10-12-26-51)38(17-11-13-27-52)44(45(39)48)40-30-37(24-25-42(40)56-48)55-36-22-20-33(21-23-36)32-14-8-7-9-15-32/h6-9,14-15,20-25,29-30,34-35,38,43-45,51-52H,1,10-13,16-19,26-28,31H2,2-5H3/t35-,38+,43-,44+,45+,48+/m0/s1
SMILES: CCOC1=CC=CC(=C1)[C@@H]2C3=C(C[C@H]([C@@H](C3=O)C(=O)OC)C)NC4=CC=CC=C4N2
InChI: InChI=1S/C24H26N2O4/c1-4-30-16-9-7-8-15(13-16)22-21-19(25-17-10-5-6-11-18(17)26-22)12-14(2)20(23(21)27)24(28)29-3/h5-11,13-14,20,22,25-26H,4,12H2,1-3H3/t14-,20+,22-/m1/s1
SMILES: CCOP(=O)(CCCCN1CCOCCO[C@H]2[C@H]3[C@@H](COC(O3)C4=CC=CC=C4)O[C@@H]([C@@H]2OCCOCC1)OC)OCC
InChI: InChI=1S/C30H50NO11P/c1-4-39-43(32,40-5-2)22-10-9-13-31-14-16-34-18-20-36-27-26-25(23-38-29(42-26)24-11-7-6-8-12-24)41-30(33-3)28(27)37-21-19-35-17-15-31/h6-8,11-12,25-30H,4-5,9-10,13-23H2,1-3H3/t25-,26-,27+,28-,29?,30+/m1/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C(=O)NC3=NC4=C(S3)C=C(C=C4)Br)C(=O)O
InChI: InChI=1S/C16H13BrN2O3S/c17-9-3-4-10-11(6-9)23-16(18-10)19-14(20)12-7-1-2-8(5-7)13(12)15(21)22/h1-4,6-8,12-13H,5H2,(H,21,22)(H,18,19,20)/t7-,8+,12-,13+/m1/s1
SMILES: [H][C@@]([2H])([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)NC(=O)C)O)O)O
InChI: InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1/i3D/t3-,5-,6-,7-,8-,9+
SMILES: COC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O
InChI: InChI=1S/C18H17NO6S/c1-24-18(23)14-12(13-7-4-8-25-13)9-26-16(14)19-15(20)10-5-2-3-6-11(10)17(21)22/h2-4,7-11H,5-6H2,1H3,(H,19,20)(H,21,22)/t10-,11+/m1/s1
SMILES: CC[C@@H]1CCC2=NN([C@@]([C@H]2C1)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C17H18ClF3N2O2/c1-2-10-3-8-14-13(9-10)16(25,17(19,20)21)23(22-14)15(24)11-4-6-12(18)7-5-11/h4-7,10,13,25H,2-3,8-9H2,1H3/t10-,13+,16-/m1/s1
SMILES: CC(C)C[C@@H](C(=O)C1=NN=C(O1)SC(C)C)NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)C3=CC=C(C=C3)CN(C)C
InChI: InChI=1S/C28H41N5O4S/c1-17(2)15-23(24(34)27-31-32-28(37-27)38-18(3)4)30-26(36)21-9-7-8-10-22(21)29-25(35)20-13-11-19(12-14-20)16-33(5)6/h11-14,17-18,21-23H,7-10,15-16H2,1-6H3,(H,29,35)(H,30,36)/t21-,22+,23+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@H](C3=O)C)(C(=O)OC)OCC5=CC=CC=C5)C(=O)OC)O[Si](CC)(CC)CC
InChI: InChI=1S/C37H58O10Si2/c1-10-48(11-2,12-3)46-27-21-28(47-49(13-4,14-5)15-6)36(33(39)41-8)23-43-30-29(38)25(7)31-35(27,32(30)36)24-45-37(31,34(40)42-9)44-22-26-19-17-16-18-20-26/h16-20,25,27-28,30-32H,10-15,21-24H2,1-9H3/t25-,27-,28+,30-,31-,32+,35+,36-,37-/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2N3CCN(CC3)C4CCN(CC4)CC5=CC=CC=C5
InChI: InChI=1S/C23H35N3/c1-2-4-19(5-3-1)18-24-10-8-22(9-11-24)25-12-14-26(15-13-25)23-17-20-6-7-21(23)16-20/h1-5,20-23H,6-18H2/t20-,21+,23-/m0/s1
SMILES: CCC1COC(=O)[C@H]2[C@H]1C[C@H]3C4=C(C[C@@H]2N3CC5=CC=CC=C5)C6=CC=CC=C6N4C
InChI: InChI=1S/C27H30N2O2/c1-3-18-16-31-27(30)25-20(18)13-24-26-21(19-11-7-8-12-22(19)28(26)2)14-23(25)29(24)15-17-9-5-4-6-10-17/h4-12,18,20,23-25H,3,13-16H2,1-2H3/t18?,20-,23-,24-,25-/m0/s1
SMILES: CSCC[C@@H]1[C@@H]([C@H]([C@H](N(C(=O)N1CC2CC2)CC3CC3)CCSC)O)O
InChI: InChI=1S/C19H34N2O3S2/c1-25-9-7-15-17(22)18(23)16(8-10-26-2)21(12-14-5-6-14)19(24)20(15)11-13-3-4-13/h13-18,22-23H,3-12H2,1-2H3/t15-,16-,17+,18+/m1/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN(CCCO)CC4=CC(=C(C=C4)OC)OC)C
InChI: InChI=1S/C27H39NO5/c1-18-7-5-10-27(2)15-25-20(14-22(18)27)21(26(30)33-25)17-28(11-6-12-29)16-19-8-9-23(31-3)24(13-19)32-4/h8-9,13-14,18,20-21,25,29H,5-7,10-12,15-17H2,1-4H3/t18-,20+,21+,25+,27+/m0/s1
SMILES: CC1=C2C3=C(C=CC2=C4CCC5=C4C1=CC=C5)[C@@H]([C@H](C=C3)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H22O4/c1-13-17-6-4-5-16-7-8-19(24(16)17)18-9-10-21-20(23(13)18)11-12-22(28-14(2)26)25(21)29-15(3)27/h4-6,9-12,22,25H,7-8H2,1-3H3/t22-,25-/m0/s1
SMILES: CC1CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O1)CO)O)O)O)O)O
InChI: InChI=1S/C30H52O12/c1-19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(32)38-18-21-24(34)25(35)27(37)29(41-21)42-28-26(36)23(33)20(17-31)40-30(28)39-19/h2-3,19-21,23-31,33-37H,4-18H2,1H3/b3-2-/t19?,20-,21-,23-,24-,25+,26+,27-,28-,29+,30-/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]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI: InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m0/s1
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](C[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C)N
InChI: InChI=1S/C33H49N5O11/c1-17(2)12-21(30(43)44)38-29(42)20(13-18-10-8-7-9-11-18)37-24(40)16-35-23(39)15-36-28(41)19(34)14-22-25-26(47-32(3,4)46-25)27-31(45-22)49-33(5,6)48-27/h7-11,17,19-22,25-27,31H,12-16,34H2,1-6H3,(H,35,39)(H,36,41)(H,37,40)(H,38,42)(H,43,44)/t19-,20-,21-,22+,25-,26-,27+,31+/m0/s1
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C12H16N4O6/c1-15-10-5(11(20)16(2)12(15)21)13-9(14-10)8-7(19)6(18)4(3-17)22-8/h4,6-8,17-19H,3H2,1-2H3,(H,13,14)/t4-,6-,7-,8?/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C
InChI: InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22+,23+,25+,27+,28-,29+,30+/m0/s1
SMILES: CCCCCCCCC(/C=C/C=C/[C@@H]1CCCC[C@H]1C(CCCC(=O)O)OC(=O)C)O
InChI: InChI=1S/C26H44O5/c1-3-4-5-6-7-8-16-23(28)17-11-9-14-22-15-10-12-18-24(22)25(31-21(2)27)19-13-20-26(29)30/h9,11,14,17,22-25,28H,3-8,10,12-13,15-16,18-20H2,1-2H3,(H,29,30)/b14-9+,17-11+/t22-,23?,24-,25?/m1/s1
SMILES: C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C5(C4=O)CO5)(C)C
InChI: InChI=1S/C20H30O2/c1-17(2)8-4-9-18(3)14(17)7-10-19-11-13(5-6-15(18)19)20(12-22-20)16(19)21/h13-15H,4-12H2,1-3H3/t13-,14-,15+,18-,19-,20?/m1/s1
SMILES: CC1C(C(C(C(O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
InChI: InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16?,19-,20+,21-,22+,24?,25?,26?,27?,28-,29+,30-/m0/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C5C(C5(C)C)(C)C)C)O)F)C
InChI: InChI=1S/C32H43FO7/c1-17-13-22-21-10-9-19-14-20(35)11-12-29(19,7)31(21,33)23(36)15-30(22,8)32(17,24(37)16-39-18(2)34)40-26(38)25-27(3,4)28(25,5)6/h11-12,14,17,21-23,25,36H,9-10,13,15-16H2,1-8H3/t17-,21-,22-,23-,29-,30-,31-,32-/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC(=C(C=C5)OC)O)C6=CC=CC=C6)NC7=CC=C(C=C7)C
InChI: InChI=1S/C37H37N3O6/c1-4-18-39-33(42)26-16-15-25-27(31(26)35(39)44)20-28-34(43)40(38-24-13-10-21(2)11-14-24)36(45)37(28,23-8-6-5-7-9-23)32(25)22-12-17-30(46-3)29(41)19-22/h5-15,17,19,26-28,31-32,38,41H,4,16,18,20H2,1-3H3/t26-,27+,28-,31-,32-,37+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@H]([C@]1(C)CCO)[C@@H]([13CH3])O
InChI: InChI=1S/C18H36O2/c1-13(2)7-6-8-14(3)16-9-10-17(15(4)20)18(16,5)11-12-19/h13-17,19-20H,6-12H2,1-5H3/t14-,15-,16-,17+,18-/m1/s1/i4+1
SMILES: COC1=CC=C(C=C1)CN2CCN(CC2)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C21H27N3O3/c1-27-17-8-6-16(7-9-17)14-22-10-12-23(13-11-22)15-24-20(25)18-4-2-3-5-19(18)21(24)26/h2-3,6-9,18-19H,4-5,10-15H2,1H3/t18-,19-/m1/s1
SMILES: CCOC1=C(C=C2C(=C1)[C@H]3C[C@H](C=C[C@H]3N=C2C4=NC=C(C=C4)C(=O)OC)O)OC
InChI: InChI=1S/C23H24N2O5/c1-4-30-21-10-15-16-9-14(26)6-8-18(16)25-22(17(15)11-20(21)28-2)19-7-5-13(12-24-19)23(27)29-3/h5-8,10-12,14,16,18,26H,4,9H2,1-3H3/t14-,16+,18+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C[C@@H]4CCCO4
InChI: InChI=1S/C23H31N3O3S/c1-15-7-5-11-19(16(15)2)24-21(27)14-30-23-25-20-10-4-3-9-18(20)22(28)26(23)13-17-8-6-12-29-17/h3-4,9-10,15-17,19H,5-8,11-14H2,1-2H3,(H,24,27)/t15-,16+,17-,19+/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](C)OC(=O)C)CSC4=CC=CC=C4OC
InChI: InChI=1S/C31H35NO7S/c1-19-27(18-40-28-8-6-5-7-26(28)36-4)38-31(39-29(19)23-11-9-22(17-33)10-12-23)24-13-15-25(16-14-24)32-30(35)20(2)37-21(3)34/h5-16,19-20,27,29,31,33H,17-18H2,1-4H3,(H,32,35)/t19-,20+,27+,29+,31+/m1/s1
SMILES: CCCCC(=O)N(CCOC)[C@@H]1CC(=C[C@@H]([C@H]1O)OC2=CC=CC=C2I)C(=O)NCCO
InChI: InChI=1S/C23H33IN2O6/c1-3-4-9-21(28)26(11-13-31-2)18-14-16(23(30)25-10-12-27)15-20(22(18)29)32-19-8-6-5-7-17(19)24/h5-8,15,18,20,22,27,29H,3-4,9-14H2,1-2H3,(H,25,30)/t18-,20+,22+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@H](C(=O)N2CC=C)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C37H39NO7S/c1-3-23-38-33(27-45-46(40,41)32-21-19-28(2)20-22-32)34(42-24-29-13-7-4-8-14-29)35(43-25-30-15-9-5-10-16-30)36(37(38)39)44-26-31-17-11-6-12-18-31/h3-22,33-36H,1,23-27H2,2H3/t33-,34-,35-,36-/m1/s1
SMILES: C[C@@]12C[C@@H]3[C@H](C[C@@]1(O2)C)C(=O)N(C3=O)C4=CC=CC=C4C(C)(C)C
InChI: InChI=1S/C20H25NO3/c1-18(2,3)14-8-6-7-9-15(14)21-16(22)12-10-19(4)20(5,24-19)11-13(12)17(21)23/h6-9,12-13H,10-11H2,1-5H3/t12-,13+,19-,20+
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]3[C@@H]([C@@H]4[C@@H]([C@H]2OCC5=CC=CC=C5)OC6(O4)CCCCC6)OC7(O3)CCCCC7)N=[N+]=[N-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H49N3O13/c1-21(41)44-20-25-27(46-22(2)42)28(47-23(3)43)26(39-40-38)35(48-25)49-30-29(45-19-24-13-7-4-8-14-24)31-33(52-36(50-31)15-9-5-10-16-36)34-32(30)51-37(53-34)17-11-6-12-18-37/h4,7-8,13-14,25-35H,5-6,9-12,15-20H2,1-3H3/t25-,26-,27-,28-,29+,30+,31-,32+,33+,34+,35-/m1/s1
SMILES: CC1([C@@H]2C[C@H](C[C@H]1C(=O)[C@H]3[C@@H](CCCO3)C[C@@H]2O)OC(=O)C(C(C4=CC=CC=C4)O)O)C
InChI: InChI=1S/C25H34O7/c1-25(2)17-12-16(32-24(30)22(29)20(27)14-7-4-3-5-8-14)13-18(25)21(28)23-15(11-19(17)26)9-6-10-31-23/h3-5,7-8,15-20,22-23,26-27,29H,6,9-13H2,1-2H3/t15-,16+,17+,18-,19-,20?,22?,23+/m0/s1
SMILES: C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)[C@@H](CO)SC[C@H](C(=O)O)N
InChI: InChI=1S/C45H70N2O10S/c1-26-8-6-10-36-42(20-27(2)29(4)23-47-36)15-11-30(35(24-48)58-25-34(46)40(50)51)19-33(42)38-39-37(49)28(3)21-44(55-38,56-39)22-32-9-7-13-43(53-32)16-17-45(57-43)41(5,52)14-12-31(18-26)54-45/h19,27-29,31-35,37-39,48-49,52H,1,6-18,20-25,46H2,2-5H3,(H,50,51)/t27-,28+,29-,31-,32+,33+,34+,35+,37+,38-,39+,41+,42+,43+,44+,45+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O
InChI: InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27?/m0/s1
SMILES: C1CCCC2=C(CC1)C(=C(S2)NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])C#N
InChI: InChI=1S/C19H24N2O3S/c20-11-15-12-7-3-1-2-4-10-16(12)25-18(15)21-17(22)13-8-5-6-9-14(13)19(23)24/h13-14H,1-10H2,(H,21,22)(H,23,24)/p-1/t13-,14+/m0/s1
SMILES: CC(C)(C)C1=CC(=C2C(=C1)O[C@]3(CCCN[C@H]3O2)C4CCCCN4)C(C)(C)C
InChI: InChI=1S/C24H38N2O2/c1-22(2,3)16-14-17(23(4,5)6)20-18(15-16)28-24(19-10-7-8-12-25-19)11-9-13-26-21(24)27-20/h14-15,19,21,25-26H,7-13H2,1-6H3/t19?,21-,24+/m0/s1
SMILES: C[C@@H]([C@@H](C(=O)O)NC(=O)[C@@H]1[C@H]([C@]2(C3=C(C(=CC=C3)Br)NC2=O)OC(=O)N1)OC(=O)C4=CC=CC=C4)O
InChI: InChI=1S/C23H20BrN3O9/c1-10(28)14(19(30)31)25-18(29)16-17(35-20(32)11-6-3-2-4-7-11)23(36-22(34)27-16)12-8-5-9-13(24)15(12)26-21(23)33/h2-10,14,16-17,28H,1H3,(H,25,29)(H,26,33)(H,27,34)(H,30,31)/t10-,14-,16-,17+,23-/m0/s1
SMILES: C[C@@H]1[C@H](CC[C@]2(C1CCC3=C2C(=O)C[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C)C)C)OC(=O)C
InChI: InChI=1S/C32H50O3/c1-19(2)20(3)10-11-21(4)24-14-17-31(8)26-13-12-25-22(5)28(35-23(6)33)15-16-30(25,7)29(26)27(34)18-32(24,31)9/h19,21-22,24-25,28H,3,10-18H2,1-2,4-9H3/t21-,22+,24-,25?,28+,30+,31+,32-/m1/s1
SMILES: CCCCN1[C@H]([C@@H](CCC1=O)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3OC
InChI: InChI=1S/C23H28N2O3/c1-3-4-16-25-21(26)15-14-19(23(27)24-17-10-6-5-7-11-17)22(25)18-12-8-9-13-20(18)28-2/h5-13,19,22H,3-4,14-16H2,1-2H3,(H,24,27)/t19-,22+/m1/s1
SMILES: C1=CN(C(=O)N=C1N)C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI: InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8?/m1/s1
SMILES: C[C@@H]1C=CC[C@]([C@H]1[N+](=O)[O-])(C)[S@@](=O)C[C@@H](C)C2=CC=CC=C2
InChI: InChI=1S/C17H23NO3S/c1-13-8-7-11-17(3,16(13)18(19)20)22(21)12-14(2)15-9-5-4-6-10-15/h4-10,13-14,16H,11-12H2,1-3H3/t13-,14-,16+,17+,22+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@@H]3C(CC[C@]2(C[C@H](C1=O)OC(=O)C)COC(=O)C)[C@@H](C(=O)O3)C
InChI: InChI=1S/C19H26O7/c1-9-13-5-6-19(8-24-11(3)20)7-14(25-12(4)21)16(22)10(2)15(19)17(13)26-18(9)23/h9-10,13-15,17H,5-8H2,1-4H3/t9-,10-,13?,14+,15+,17-,19-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4
InChI: InChI=1S/C19H25N3O2S/c1-11-5-3-7-14(12(11)2)21-16(23)9-22-10-20-18-17(19(22)24)13-6-4-8-15(13)25-18/h10-12,14H,3-9H2,1-2H3,(H,21,23)/t11-,12+,14-/m0/s1
SMILES: C1CCC(CC1)C[C@H](CC(=O)NC2CCCC2)[C@H](C[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
InChI: InChI=1S/C35H48N2O5/c38-29-16-14-24(15-17-29)19-27(35(42)37-34-30-13-7-4-10-25(30)20-32(34)40)21-31(39)26(18-23-8-2-1-3-9-23)22-33(41)36-28-11-5-6-12-28/h4,7,10,13-17,23,26-28,31-32,34,38-40H,1-3,5-6,8-9,11-12,18-22H2,(H,36,41)(H,37,42)/t26-,27-,31+,32-,34+/m1/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=N\N3C(=NN=C3SCC(=O)O)C4=C(OC=C4)C
InChI: InChI=1S/C18H18N4O4S/c1-10-7-14(10)15-4-3-12(26-15)8-19-22-17(13-5-6-25-11(13)2)20-21-18(22)27-9-16(23)24/h3-6,8,10,14H,7,9H2,1-2H3,(H,23,24)/b19-8-/t10-,14+/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@H](CC3(C)C)[C@@]4(CO4)C(=O)C[C@H]1O2
InChI: InChI=1S/C15H22O3/c1-13(2)7-10-9(13)4-5-14(3)12(18-14)6-11(16)15(10)8-17-15/h9-10,12H,4-8H2,1-3H3/t9-,10+,12-,14-,15+/m1/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)[C@H]2C[C@H](CO[C@]23CC[C@@H](CO3)COS(=O)(=O)C4=CC=C(C=C4)C)COCC5=CC=CC=C5
InChI: InChI=1S/C32H38O7S2/c1-24-8-12-29(13-9-24)40(33)31-18-28(20-36-19-26-6-4-3-5-7-26)22-38-32(31)17-16-27(21-37-32)23-39-41(34,35)30-14-10-25(2)11-15-30/h3-15,27-28,31H,16-23H2,1-2H3/t27-,28-,31-,32+,40-/m0/s1
SMILES: CCOC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOC)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OC7=CC=C(C=C7)C8=CC=CC=C8)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C51H58N2O10/c1-4-27-61-51-47(53(50(56)58-5-2)32-34-17-23-45-46(28-34)60-33-59-45)31-43(52-57-3)41-29-37(15-9-11-25-54)40(16-10-12-26-55)48(49(41)51)42-30-39(22-24-44(42)63-51)62-38-20-18-36(19-21-38)35-13-7-6-8-14-35/h4,6-8,13-14,17-24,28-30,37,40,47-49,54-55H,1,5,9-12,15-16,25-27,31-33H2,2-3H3/t37-,40+,47-,48+,49+,51+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H]([C@H]5[C@@]([C@H]3OC(=O)C6=CC=CC=C6)(C4(C)C)OC(=O)O5)O)C)O)C)OC(=O)C
InChI: InChI=1S/C36H48O12Si/c1-9-49(10-2,11-3)48-22-17-23-35(18-43-23,46-20(5)37)27-30(44-31(41)21-15-13-12-14-16-21)36-29(45-32(42)47-36)25(38)19(4)24(33(36,6)7)26(39)28(40)34(22,27)8/h12-16,22-23,25-27,29-30,38-39H,9-11,17-18H2,1-8H3/t22-,23+,25+,26+,27-,29-,30-,34+,35-,36+/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C(=C5)I)O)OC)C(=O)N(C4=O)C6=CC=CC=C6)Cl
InChI: InChI=1S/C28H23Cl2IN2O6/c1-32-25(37)27(29)12-17-15(8-9-16-20(17)24(36)33(23(16)35)14-6-4-3-5-7-14)21(28(27,30)26(32)38)13-10-18(31)22(34)19(11-13)39-2/h3-8,10-11,16-17,20-21,34H,9,12H2,1-2H3/t16-,17+,20-,21-,27+,28-/m0/s1
SMILES: CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C
InChI: InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31-,33+,34+,35+,36-/m0/s1
SMILES: CCC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3(C2C1=O)C)C4=COC=C4)C)C(=O)OC
InChI: InChI=1S/C24H30O8/c1-5-18(25)31-16-10-15(21(27)29-4)23(2)8-6-14-22(28)32-17(13-7-9-30-12-13)11-24(14,3)20(23)19(16)26/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,20?,23-,24-/m0/s1
SMILES: CC1=CC(=NC(=N1)SCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)C4=CC=CC=C4
InChI: InChI=1S/C22H27N3OS/c1-16-13-20(18-8-3-2-4-9-18)24-22(23-16)27-15-21(26)25-12-11-17-7-5-6-10-19(17)14-25/h2-4,8-9,13,17,19H,5-7,10-12,14-15H2,1H3/t17-,19-/m0/s1
SMILES: CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C[C@@H]7C[C@](CN(C7)CCC8=C6NC9=CC=CC=C89)(C)O[Si](C)(C)C)C(=O)OC)OC)C
InChI: InChI=1S/C48H64N4O9Si/c1-11-45-18-14-20-52-22-19-46(39(45)52)33-23-34(37(57-5)24-36(33)50(4)40(46)48(56,43(55)59-7)41(45)60-29(2)53)47(42(54)58-6)26-30-25-44(3,61-62(8,9)10)28-51(27-30)21-17-32-31-15-12-13-16-35(31)49-38(32)47/h12-16,18,23-24,30,39-41,49,56H,11,17,19-22,25-28H2,1-10H3/t30-,39-,40+,41+,44-,45+,46+,47-,48-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](NC(=S)N[C@]1(C(F)(F)F)O)C2=C(C=CC(=C2)[N+](=O)[O-])[O-]
InChI: InChI=1S/C14H14F3N3O6S/c1-2-26-11(22)9-10(7-5-6(20(24)25)3-4-8(7)21)18-12(27)19-13(9,23)14(15,16)17/h3-5,9-10,21,23H,2H2,1H3,(H2,18,19,27)/p-1/t9-,10+,13+/m1/s1
SMILES: COC([C@@H]1[C@H]2CCC[C@H](N2C(=O)OCC3=CC=CC=C3)C(=O)N1CC(=O)NC4CCCC4)OC
InChI: InChI=1S/C25H35N3O6/c1-32-24(33-2)22-19-13-8-14-20(28(19)25(31)34-16-17-9-4-3-5-10-17)23(30)27(22)15-21(29)26-18-11-6-7-12-18/h3-5,9-10,18-20,22,24H,6-8,11-16H2,1-2H3,(H,26,29)/t19-,20+,22+/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@H]3[C@@H]4[C@H]5C[C@@H]([C@@H]4[C@@H]2N=N3)C=C5
InChI: InChI=1S/C14H16N2/c1-2-9-10(3-1)14-12-8-5-4-7(6-8)11(12)13(9)15-16-14/h1-2,4-5,7-14H,3,6H2/t7-,8+,9+,10-,11-,12+,13+,14-/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC2[C@H](O[C@@H]([C@H]([C@H]2O)O)OC(C(CO)O)C(C(C=O)O)O)CO)O)O)O)O
InChI: InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5?,6?,7-,8-,9?,10-,11+,12-,13+,14+,15?,16?,17-,18-/m1/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2C3=CC(=C(C(=C3)OC)OC)OC)(C)C(=O)OCC
InChI: InChI=1S/C21H28N2O7/c1-7-23-18(24)14-15(19(23)25)21(3,20(26)30-8-2)22-16(14)11-9-12(27-4)17(29-6)13(10-11)28-5/h9-10,14-16,22H,7-8H2,1-6H3/p+1/t14-,15-,16+,21+/m0/s1
SMILES: CCCOC1=C(C=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)OC)ON2C5=CC=CC=C5)OCC
InChI: InChI=1S/C29H30N2O6/c1-4-16-36-23-15-14-19(17-24(23)35-5-2)26-25-27(37-31(26)20-10-7-6-8-11-20)29(33)30(28(25)32)21-12-9-13-22(18-21)34-3/h6-15,17-18,25-27H,4-5,16H2,1-3H3/t25-,26-,27-/m0/s1