EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)F)F
InChI: InChI=1S/C19H24F2N2O3S/c20-16-3-4-18(17(21)12-16)27(25,26)23-7-5-22(6-8-23)19(24)11-15-10-13-1-2-14(15)9-13/h3-4,12-15H,1-2,5-11H2/t13-,14+,15+/m0/s1
SMILES: CCOP(=O)(CC1CC[C@@H]2[C@H](C1)C[C@H](N2C(=O)OC(C)(C)C)C(=O)OC)OCC
InChI: InChI=1S/C20H36NO7P/c1-7-26-29(24,27-8-2)13-14-9-10-16-15(11-14)12-17(18(22)25-6)21(16)19(23)28-20(3,4)5/h14-17H,7-13H2,1-6H3/t14?,15-,16-,17+/m1/s1
SMILES: CN(C)CC1=CN(N=N1)[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C19H25N5O4/c1-23(2)9-14-10-24(22-21-14)15-11-26-18-16(12-27-17(15)18)28-19(25)20-8-13-6-4-3-5-7-13/h3-7,10,15-18H,8-9,11-12H2,1-2H3,(H,20,25)/t15-,16+,17+,18+/m0/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@H]([C@@H]2S(=O)(=O)C3=CC=CC=C3)C(=O)C(F)(F)F
InChI: InChI=1S/C16H15F3O3S/c17-16(18,19)15(20)13-10-6-8-11(9-7-10)14(13)23(21,22)12-4-2-1-3-5-12/h1-6,8,10-11,13-14H,7,9H2/t10-,11+,13+,14+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](OC1N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO)OC)O
InChI: InChI=1S/C29H23Cl2N3O8/c1-10(36)41-26-24(37)25(40-2)15(9-35)42-29(26)34-22-12(6-4-8-14(22)31)17-19-18(27(38)33-28(19)39)16-11-5-3-7-13(30)20(11)32-21(16)23(17)34/h3-8,15,24-26,29,32,35,37H,9H2,1-2H3,(H,33,38,39)/t15-,24+,25-,26-,29?/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)NC(=O)C4=NC5=CC=CC=C5N=C4)CN6CCN(CC6)C7=NC=CC=N7
InChI: InChI=1S/C36H37N7O4/c1-24-32(22-42-17-19-43(20-18-42)36-37-15-4-16-38-36)46-35(47-33(24)26-9-7-25(23-44)8-10-26)27-11-13-28(14-12-27)40-34(45)31-21-39-29-5-2-3-6-30(29)41-31/h2-16,21,24,32-33,35,44H,17-20,22-23H2,1H3,(H,40,45)/t24-,32+,33+,35+/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=COC6=C(C5)C=C(C=C6)O)Cl)C7=C(C(=C(C(=C7F)F)F)F)F)Cl
InChI: InChI=1S/C32H23Cl2F5N2O6/c1-2-7-40-27(43)16-5-4-15-17(19(16)28(40)44)10-31(33)29(45)41(26-24(38)22(36)21(35)23(37)25(26)39)30(46)32(31,34)20(15)13-8-12-9-14(42)3-6-18(12)47-11-13/h3-4,6,9,11,16-17,19-20,42H,2,5,7-8,10H2,1H3/t16-,17+,19-,20-,31+,32-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C6=CC=CC=C6)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C34H30N2O6/c1-34-25(31(39)36(33(34)41)21-11-7-4-8-12-21)18-24-22(29(34)19-13-16-26(37)27(17-19)42-2)14-15-23-28(24)32(40)35(30(23)38)20-9-5-3-6-10-20/h3-14,16-17,23-25,28-29,37H,15,18H2,1-2H3/t23-,24+,25-,28-,29-,34+/m0/s1
SMILES: CN1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@H]2C3=CC=CC=C3F)(CC4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C22H21FN2O4/c1-25-19(26)16-17(20(25)27)22(21(28)29-2,12-13-8-4-3-5-9-13)24-18(16)14-10-6-7-11-15(14)23/h3-11,16-18,24H,12H2,1-2H3/t16-,17-,18-,22+/m0/s1
SMILES: CC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C[C@](O1)(C2=CC(=C(C=C2)OC)OC)OC)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H33N3O12/c1-13(29)36-12-21(38-15(3)31)23(39-16(4)32)24-22(27-28-26)20(37-14(2)30)11-25(35-7,40-24)17-8-9-18(33-5)19(10-17)34-6/h8-10,20-24H,11-12H2,1-7H3/t20-,21+,22+,23+,24+,25-/m0/s1
SMILES: C1CCN(C1)CCOCC[C@@H]2C[C@H]3CC[C@@H]2C4=C3C=C(C=C4)CC5=COC=C5
InChI: InChI=1S/C25H33NO2/c1-2-10-26(9-1)11-14-27-13-8-22-17-21-4-6-23(22)24-5-3-19(16-25(21)24)15-20-7-12-28-18-20/h3,5,7,12,16,18,21-23H,1-2,4,6,8-11,13-15,17H2/t21-,22-,23+/m1/s1
SMILES: C1C[C@@H]([C@@H](C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CS(=O)(=O)C3=CC=CC=C3)N
InChI: InChI=1S/C23H26F3N3O4S/c24-23(25,26)17-6-4-5-15(11-17)22(31)28-13-21(30)29-18-9-10-20(27)16(12-18)14-34(32,33)19-7-2-1-3-8-19/h1-8,11,16,18,20H,9-10,12-14,27H2,(H,28,31)(H,29,30)/t16-,18+,20-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)I)OC(=O)C)OC(=O)C
InChI: InChI=1S/C12H17IO8/c1-5(14)18-4-8-10(19-6(2)15)11(20-7(3)16)9(13)12(17)21-8/h8-12,17H,4H2,1-3H3/t8-,9-,10-,11-,12-/m1/s1
SMILES: COC[C@@H]1[C@H]([C@@H](C2=C(C1=O)C=CC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC
InChI: InChI=1S/C27H28O7/c1-30-14-19-24(27(29)34-5)22(16-12-20(31-2)26(33-4)21(13-16)32-3)23-17-9-7-6-8-15(17)10-11-18(23)25(19)28/h6-13,19,22,24H,14H2,1-5H3/t19-,22-,24-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NN=CN2C3=CC=CC=C3
InChI: InChI=1S/C18H24N4OS/c1-13-8-6-7-11-16(13)20-17(23)14(2)24-18-21-19-12-22(18)15-9-4-3-5-10-15/h3-5,9-10,12-14,16H,6-8,11H2,1-2H3,(H,20,23)/t13-,14-,16+/m1/s1
SMILES: C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@H]([C@H](O3)[C@@H](CN)O)O)O)N)C(=O)N
InChI: InChI=1S/C13H18N6O5/c14-1-5(20)9-7(21)8(22)13(24-9)19-2-4(11(16)23)6-10(15)17-3-18-12(6)19/h2-3,5,7-9,13,20-22H,1,14H2,(H2,16,23)(H2,15,17,18)/t5-,7-,8-,9-,13-/m1/s1
SMILES: CC1=CC=C(C=C1)OP(=O)(N[C@@H](C)C(=O)OC)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)N=[N+]=[N-]
InChI: InChI=1S/C21H27N6O8P/c1-12-5-7-15(8-6-12)35-36(31,25-14(3)20(29)32-4)33-11-17-16(24-26-22)9-18(34-17)27-10-13(2)19(28)23-21(27)30/h5-8,10,14,16-18H,9,11H2,1-4H3,(H,25,31)(H,23,28,30)/t14-,16-,17+,18+,36?/m0/s1
SMILES: CC1=CC=C(C=C1)C2=C([C@H]3C[C@H]([C@@H](C2)N3C)O)C(=O)OC
InChI: InChI=1S/C17H21NO3/c1-10-4-6-11(7-5-10)12-8-13-15(19)9-14(18(13)2)16(12)17(20)21-3/h4-7,13-15,19H,8-9H2,1-3H3/t13-,14-,15-/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)C3=CCCC[C@H]3[C@H](O2)C4=CC=CC=C4OCC(=O)O
InChI: InChI=1S/C21H26O4/c22-20(23)13-24-18-11-5-4-10-17(18)21-16-9-2-1-7-14(16)15-8-3-6-12-19(15)25-21/h4-5,7,10-11,15-16,19,21H,1-3,6,8-9,12-13H2,(H,22,23)/t15-,16-,19-,21+/m1/s1
SMILES: CC12CCCC([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(C4)(C)OC)(C)C(=O)O
InChI: InChI=1S/C21H34O3/c1-18-9-5-10-19(2,17(22)23)15(18)8-11-21-12-14(6-7-16(18)21)20(3,13-21)24-4/h14-16H,5-13H2,1-4H3,(H,22,23)/t14-,15+,16+,18?,19?,20?,21+/m1/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC=C5OC)O)C6=CC=CC=C6)C7=CC(=CC=C7)Cl
InChI: InChI=1S/C32H27ClN4O6/c1-34-30(41)35-15-14-21-23(37(35)31(34)42)17-22-28(39)36(20-11-6-10-19(33)16-20)29(40)32(22,18-8-4-3-5-9-18)27(21)26-24(38)12-7-13-25(26)43-2/h3-14,16,22-23,27,38H,15,17H2,1-2H3/t22-,23+,27+,32+/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)/C=C/C=O)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C15H28O4Si/c1-14(2,3)20(6,7)17-11-13-12(9-8-10-16)18-15(4,5)19-13/h8-10,12-13H,11H2,1-7H3/b9-8+/t12-,13-/m0/s1
SMILES: CC(=O)OC[C@H]1[C@@H]([C@H]([C@@H](CO1)OC(=O)C)OC(=O)C)OC
InChI: InChI=1S/C13H20O8/c1-7(14)18-5-10-12(17-4)13(21-9(3)16)11(6-19-10)20-8(2)15/h10-13H,5-6H2,1-4H3/t10-,11+,12-,13-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)CC(=C)CCl)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C15H28ClNO2Si/c1-10(9-16)8-12-13(14(18)17-12)11(2)19-20(6,7)15(3,4)5/h11-13H,1,8-9H2,2-7H3,(H,17,18)/t11-,12-,13-/m1/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@@H]3O[C@@H]([C@@H]([C@@H](O3)C4=CC=C(C=C4)CO)C)CN5CCOCC5
InChI: InChI=1S/C35H43N3O7/c1-3-43-32(40)21-37-35(41)36-20-29-6-4-5-7-30(29)26-12-14-28(15-13-26)34-44-31(22-38-16-18-42-19-17-38)24(2)33(45-34)27-10-8-25(23-39)9-11-27/h4-15,24,31,33-34,39H,3,16-23H2,1-2H3,(H2,36,37,41)/t24-,31+,33+,34+/m0/s1
SMILES: CC1(CC2=C([C@H]([C@H](O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)/C(=N/NC4=CC=CC=C4)/C1)C
InChI: InChI=1S/C22H22ClN3O3/c1-22(2)12-17(25-24-16-6-4-3-5-7-16)20-18(13-22)29-21(26(27)28)19(20)14-8-10-15(23)11-9-14/h3-11,19,21,24H,12-13H2,1-2H3/b25-17+/t19-,21+/m1/s1
SMILES: CC[C@@H](C)N([C@@H]1CCS(=O)(=O)C1)C(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C19H31N3O5S/c1-4-14(3)22(15-8-10-28(26,27)12-15)16(23)11-21-17(24)19(20-18(21)25)9-6-5-7-13(19)2/h13-15H,4-12H2,1-3H3,(H,20,25)/t13-,14+,15+,19-/m0/s1
SMILES: C1CN2[C@@H]([C@H]1NC(=O)C3=CC=CS3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C23H18ClN3O3S/c24-15-6-3-13(4-7-15)14-5-8-17-16(12-14)23(30)27-10-9-18(20(27)22(29)25-17)26-21(28)19-2-1-11-31-19/h1-8,11-12,18,20H,9-10H2,(H,25,29)(H,26,28)/t18-,20-/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC(F)F
InChI: InChI=1S/C25H20F2N2O4/c26-25(27)32-19-13-11-17(12-14-19)21-20-22(33-29(21)18-9-5-2-6-10-18)24(31)28(23(20)30)15-16-7-3-1-4-8-16/h1-14,20-22,25H,15H2/t20-,21+,22-/m0/s1
SMILES: CC(=O)SCC[C@]12CCC(=O)C=C1CC[C@@H]3C2=CC[C@]4([C@H]3CCC45OCCO5)C
InChI: InChI=1S/C24H32O4S/c1-16(25)29-14-11-23-9-5-18(26)15-17(23)3-4-19-20-7-10-24(27-12-13-28-24)22(20,2)8-6-21(19)23/h6,15,19-20H,3-5,7-14H2,1-2H3/t19-,20-,22-,23+/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)F
InChI: InChI=1S/C18H21FN2O3/c1-11-6-7-12(10-15(11)19)20-16(22)8-9-21-17(23)13-4-2-3-5-14(13)18(21)24/h6-7,10,13-14H,2-5,8-9H2,1H3,(H,20,22)/t13-,14+
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)C)CN5CCCCC5
InChI: InChI=1S/C33H40N2O4/c1-23-31(21-35-16-4-3-5-17-35)38-33(39-32(23)27-14-12-25(22-36)13-15-27)30-11-7-10-29(19-30)28-9-6-8-26(18-28)20-34-24(2)37/h6-15,18-19,23,31-33,36H,3-5,16-17,20-22H2,1-2H3,(H,34,37)/t23-,31+,32+,33+/m0/s1
SMILES: C1[C@@H]2[C@H]3[C@H]([C@H]1[C@@H]([C@@H]2Br)Br)C(=O)N(C3=O)C4=CC=CC=N4
InChI: InChI=1S/C14H12Br2N2O2/c15-11-6-5-7(12(11)16)10-9(6)13(19)18(14(10)20)8-3-1-2-4-17-8/h1-4,6-7,9-12H,5H2/t6-,7+,9-,10-,11-,12+/m0/s1
SMILES: C[C@@H]1[C@H](C2([C@H](CC1=O)C3=CC=C(C=C3)C)C(=O)NOC2=O)C4=CC=CC=C4
InChI: InChI=1S/C22H21NO4/c1-13-8-10-15(11-9-13)17-12-18(24)14(2)19(16-6-4-3-5-7-16)22(17)20(25)23-27-21(22)26/h3-11,14,17,19H,12H2,1-2H3,(H,23,25)/t14-,17+,19-,22?/m0/s1
SMILES: COCCOCCOC(=O)[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)OCC=C
InChI: InChI=1S/C18H31NO12/c1-3-4-29-18(25)19-11(16(24)28-8-7-27-6-5-26-2)10-30-17-15(23)14(22)13(21)12(9-20)31-17/h3,11-15,17,20-23H,1,4-10H2,2H3,(H,19,25)/t11-,12+,13+,14-,15+,17-/m0/s1
SMILES: COC1=CC=CC2=C1CC[C@@H]3[C@H]2CN(C3)CCN4C(=O)C5=C(C6=C(S5)C=C(C=C6)C#N)[NH2+]C4=O.[Cl-]
InChI: InChI=1S/C26H24N4O3S.ClH/c1-33-21-4-2-3-17-18(21)8-6-16-13-29(14-20(16)17)9-10-30-25(31)24-23(28-26(30)32)19-7-5-15(12-27)11-22(19)34-24;/h2-5,7,11,16,20H,6,8-10,13-14H2,1H3,(H,28,32);1H/t16-,20+;/m0./s1
SMILES: CC1=CC2=C([C@@H]3[C@@H]4CC5=C(C(=C6C(=C5[C@@H](N4[C@H]([C@H](C2)N3)C#N)CO[Si](C7=CC=CC=C7)(C8=CC=CC=C8)C(C)(C)C)OCO6)C)OCC=C)C(=C1OC)OCOCCOC
InChI: InChI=1S/C48H57N3O8Si/c1-9-20-55-44-31(3)45-47(58-29-57-45)41-35(44)25-37-42-40-32(23-30(2)43(53-8)46(40)56-28-54-22-21-52-7)24-36(50-42)38(26-49)51(37)39(41)27-59-60(48(4,5)6,33-16-12-10-13-17-33)34-18-14-11-15-19-34/h9-19,23,36-39,42,50H,1,20-22,24-25,27-29H2,2-8H3/t36-,37-,38-,39-,42-/m0/s1
SMILES: CC(=O)N[C@H]1CCN(C1)C(=O)C[C@@H]2[C@@H](CC[C@H]3[C@]2(CC[C@H]([C@@]3(C)CO)OC(=O)NC4=CC(=CC=C4)F)C)O
InChI: InChI=1S/C28H40FN3O6/c1-17(34)30-20-10-12-32(15-20)25(36)14-21-22(35)7-8-23-27(21,2)11-9-24(28(23,3)16-33)38-26(37)31-19-6-4-5-18(29)13-19/h4-6,13,20-24,33,35H,7-12,14-16H2,1-3H3,(H,30,34)(H,31,37)/t20-,21+,22+,23-,24+,27-,28-/m0/s1
SMILES: COC1=CC=C(C=C1)O[C@H]2C=C[C@H](O[C@@H]2COC(=O)N3CCCCC3)C4=CC=CC=C4
InChI: InChI=1S/C25H29NO5/c1-28-20-10-12-21(13-11-20)30-23-15-14-22(19-8-4-2-5-9-19)31-24(23)18-29-25(27)26-16-6-3-7-17-26/h2,4-5,8-15,22-24H,3,6-7,16-18H2,1H3/t22-,23-,24+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2C(=CC=C3)[N+](=O)[O-])CO)O
InChI: InChI=1S/C12H13N3O5/c16-5-10-9(17)4-11(20-10)14-6-13-7-2-1-3-8(12(7)14)15(18)19/h1-3,6,9-11,16-17H,4-5H2/t9-,10+,11+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C
InChI: InChI=1S/C38H46O17/c1-21(39)45-19-29-31(49-23(3)41)33(47-17-27-13-9-7-10-14-27)35(48-18-28-15-11-8-12-16-28)37(53-29)55-32-30(20-46-22(2)40)54-38(52-26(6)44)36(51-25(5)43)34(32)50-24(4)42/h7-16,29-38H,17-20H2,1-6H3/t29-,30-,31-,32-,33+,34+,35+,36-,37+,38?/m1/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@@H](NC3=C2C=CC=C3[N+](=O)[O-])C4=CC=CC=C4F
InChI: InChI=1S/C18H15FN2O2/c19-15-9-2-1-5-14(15)17-12-7-3-6-11(12)13-8-4-10-16(21(22)23)18(13)20-17/h1-6,8-12,17,20H,7H2/t11-,12-,17-/m1/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OC3CCCC3)CC(=O)O)C)O
InChI: InChI=1S/C21H31NO5/c1-14(23)21(2)13-22(12-20(24)25)11-17(21)15-8-9-18(26-3)19(10-15)27-16-6-4-5-7-16/h8-10,14,16-17,23H,4-7,11-13H2,1-3H3,(H,24,25)/t14-,17+,21+/m1/s1
SMILES: CC1=NC=C(C(=C1O)CNOC/C=S(\C)/C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)COP(=O)(O)O
InChI: InChI=1S/C21H30N7O9PS/c1-11-16(29)13(12(5-23-11)7-36-38(32,33)34)6-27-35-3-4-39(2)8-14-17(30)18(31)21(37-14)28-10-26-15-19(22)24-9-25-20(15)28/h4-5,9-10,14,17-18,21,27,29-31H,3,6-8H2,1-2H3,(H2,22,24,25)(H2,32,33,34)/t14-,17-,18-,21-,39?/m1/s1
SMILES: C1CC2([C@H]([C@H](C1[C@H]([C@@H]2C(=O)O)C(=O)O)C(=O)O)C(=O)O)C3=CC=CC=C3
InChI: InChI=1S/C18H18O8/c19-14(20)10-9-6-7-18(12(10)16(23)24,8-4-2-1-3-5-8)13(17(25)26)11(9)15(21)22/h1-5,9-13H,6-7H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)/t9?,10-,11+,12-,13-,18?/m1/s1
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C21H29NO3/c1-3-15-6-5-7-16(4-2)21(15)22-19(23)13-25-20(24)12-18-11-14-8-9-17(18)10-14/h5-7,14,17-18H,3-4,8-13H2,1-2H3,(H,22,23)/t14-,17+,18+/m0/s1
SMILES: CCOC(=O)[C@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CC=C3F)C(=O)N(C2=O)C)C4=CC=CC=C4
InChI: InChI=1S/C22H21FN2O4/c1-3-29-21(28)22(13-9-5-4-6-10-13)17-16(19(26)25(2)20(17)27)18(24-22)14-11-7-8-12-15(14)23/h4-12,16-18,24H,3H2,1-2H3/p+1/t16-,17-,18-,22+/m0/s1
SMILES: CCCCCCSC1=NC2=C(C3=CC=CC=C3N[C@@H](O2)[C@@H]4CC=C(C[C@@H]4C)C)N=N1
InChI: InChI=1S/C24H32N4OS/c1-4-5-6-9-14-30-24-26-23-21(27-28-24)19-10-7-8-11-20(19)25-22(29-23)18-13-12-16(2)15-17(18)3/h7-8,10-12,17-18,22,25H,4-6,9,13-15H2,1-3H3/t17-,18+,22-/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)[C@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CN7[C@@H]8CCCC[C@@H]8CC[C@@H]7C(=O)NC(C)(C)C
InChI: InChI=1S/C56H68N4O7S/c1-37-18-29-47(30-19-37)68(64,65)59-48(33-39-12-7-6-8-13-39)53(62)57-34-41-14-11-16-46(32-41)42-24-26-45(27-25-42)55-66-51(38(2)52(67-55)44-22-20-40(36-61)21-23-44)35-60-49-17-10-9-15-43(49)28-31-50(60)54(63)58-56(3,4)5/h6-8,11-14,16,18-27,29-30,32,38,43,48-52,55,59,61H,9-10,15,17,28,31,33-36H2,1-5H3,(H,57,62)(H,58,63)/t38-,43-,48-,49-,50-,51+,52+,55+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NN=C(S2)NC3=CC=C(C=C3)C
InChI: InChI=1S/C20H28N4OS2/c1-12-8-10-16(11-9-12)21-19-23-24-20(27-19)26-15(4)18(25)22-17-7-5-6-13(2)14(17)3/h8-11,13-15,17H,5-7H2,1-4H3,(H,21,23)(H,22,25)/t13-,14+,15+,17+/m0/s1
SMILES: CCC(=O)O[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@@H]3CC[C@]2(C1)C)C
InChI: InChI=1S/C22H30O3/c1-4-20(24)25-16-12-19-17-6-5-14-11-15(23)7-10-22(14,3)18(17)8-9-21(19,2)13-16/h7,10-11,16-19H,4-6,8-9,12-13H2,1-3H3/t16-,17+,18+,19-,21-,22-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O
InChI: InChI=1S/C18H32O15/c1-4-7(21)9(23)12(26)17(29-4)33-15-8(22)5(2-19)31-18(13(15)27)32-14-6(3-20)30-16(28)11(25)10(14)24/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10+,11+,12-,13+,14+,15-,16?,17-,18-/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NCCC(=O)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H51N3O10SSi2/c1-19-16-32(26(35)31(8)24(19)34)25-23(41-45(12,13)28(5,6)7)29(21(40-25)17-39-44(10,11)27(2,3)4)20(18-43(36,37)42-29)30-15-14-22(33)38-9/h16,18,21,23,25,30H,14-15,17H2,1-13H3/t21-,23+,25-,29-/m1/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)O)N4C)N(C)C
InChI: InChI=1S/C17H22N4O5/c1-7-11(19(2)3)14(23)10-8(6-26-16(18)24)17(25)15-9(20(15)4)5-21(17)12(10)13(7)22/h8-9,15,25H,5-6H2,1-4H3,(H2,18,24)/t8-,9?,15?,17-,20?/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C
InChI: InChI=1S/C16H23NO3S/c1-11-5-4-6-16(12(11)2)17-21(19,20)15-9-7-14(8-10-15)13(3)18/h7-12,16-17H,4-6H2,1-3H3/t11-,12-,16-/m1/s1
SMILES: C1[C@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CC3=CC(=CC=C3)OCC4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)N=[N+]=[N-]
InChI: InChI=1S/C42H37N5O5/c43-46-45-37-26-39(47-27-32(40(48)44-41(47)49)24-31-16-13-23-36(25-31)50-28-30-14-5-1-6-15-30)52-38(37)29-51-42(33-17-7-2-8-18-33,34-19-9-3-10-20-34)35-21-11-4-12-22-35/h1-23,25,27,37-39H,24,26,28-29H2,(H,44,48,49)/t37-,38-,39-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=CS4
InChI: InChI=1S/C19H15NO4S/c21-17-12-6-1-2-7-13(12)18(22)20(17)14-8-3-4-9-15(14)24-19(23)16-10-5-11-25-16/h1-5,8-13H,6-7H2/t12-,13+
SMILES: C[C@@H]1COC(O[C@H]1[C@@H](C)C[C@H](C)CO)C2=CC=C(C=C2)OC
InChI: InChI=1S/C18H28O4/c1-12(10-19)9-13(2)17-14(3)11-21-18(22-17)15-5-7-16(20-4)8-6-15/h5-8,12-14,17-19H,9-11H2,1-4H3/t12-,13-,14+,17-,18?/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)O
InChI: InChI=1S/C17H23NO4/c1-11-4-3-5-15(12(11)2)18-16(20)10-22-17(21)13-6-8-14(19)9-7-13/h6-9,11-12,15,19H,3-5,10H2,1-2H3,(H,18,20)/t11-,12-,15+/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C16H19NO3/c1-10-3-8-13-14(9-10)16(19)17(15(13)18)11-4-6-12(20-2)7-5-11/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-,13-,14+/m0/s1
SMILES: C=CC1=C2C(=CC(=C1)OS(=O)(=O)O)N=C(O2)C3=CC(=C(C(=C3)F)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F
InChI: InChI=1S/C21H17F2NO12S/c1-2-7-3-9(36-37(30,31)32)6-12-16(7)33-19(24-12)8-4-10(22)17(11(23)5-8)34-21-15(27)13(25)14(26)18(35-21)20(28)29/h2-6,13-15,18,21,25-27H,1H2,(H,28,29)(H,30,31,32)/t13-,14-,15+,18-,21+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C3=C4C(=C5C(=C3C6=C2N=CC=C6)C(=O)N(C5=O)C)C7=C(N4)C=CC(=C7)Br)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H29BrN4O11/c1-13(40)46-12-21-28(47-14(2)41)29(48-15(3)42)30(49-16(4)43)34(50-21)39-27-23(18-7-6-10-36-31(18)39)25-24(32(44)38(5)33(25)45)22-19-11-17(35)8-9-20(19)37-26(22)27/h6-11,21,28-30,34,37H,12H2,1-5H3/t21-,28-,29+,30-,34-/m1/s1
SMILES: C=C1[C@H]([C@@H]1C(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)NC4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C26H20N2O2/c1-16-23(25(29)27-21-12-10-17-6-2-4-8-19(17)14-21)24(16)26(30)28-22-13-11-18-7-3-5-9-20(18)15-22/h2-15,23-24H,1H2,(H,27,29)(H,28,30)/t23-,24-/m1/s1
SMILES: C[C@@H]1[C@H]2C3=C(C[C@@H](N1CC4CC4)C5=C2C=C(C=C5)O)C=CC(=C3)O
InChI: InChI=1S/C21H23NO2/c1-12-21-18-9-15(23)5-4-14(18)8-20(22(12)11-13-2-3-13)17-7-6-16(24)10-19(17)21/h4-7,9-10,12-13,20-21,23-24H,2-3,8,11H2,1H3/t12-,20-,21+/m1/s1
SMILES: CC1=C2C=C(C=C(C2=CC=C1)C(=O)O[C@H](C(=O)N/C(=C/3\[C@H]([C@@H]([C@H]4N3C4)O)OC(=O)C)/C(=O)N/C(=C\O)/C(=O)C)[C@@]5(CO5)C)OC
InChI: InChI=1S/C31H33N3O11/c1-14-7-6-8-18-19(14)9-17(42-5)10-20(18)30(41)45-27(31(4)13-43-31)29(40)33-23(28(39)32-21(12-35)15(2)36)24-26(44-16(3)37)25(38)22-11-34(22)24/h6-10,12,22,25-27,35,38H,11,13H2,1-5H3,(H,32,39)(H,33,40)/b21-12-,24-23+/t22-,25+,26+,27+,31-,34?/m0/s1
SMILES: C[C@@H]1C[C@@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@H]2CCC4
InChI: InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11-,12-,13-,14-,16-/m1/s1
SMILES: C[C@@H]1CCC2C1CC3(C4C[C@]2(C3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5CN(C[C@@H]([C@H](O5)C)OC)CC(=C)CF
InChI: InChI=1S/C31H46FNO6/c1-18(2)25-9-22-10-29(16-34)24-8-7-20(4)23(24)11-30(22,31(25,29)28(35)36)17-38-27-15-33(13-19(3)12-32)14-26(37-6)21(5)39-27/h9,16,18,20-24,26-27H,3,7-8,10-15,17H2,1-2,4-6H3,(H,35,36)/t20-,21-,22?,23?,24?,26+,27-,29+,30?,31?/m1/s1
SMILES: C[C@@H]1[C@H]2[C@H](C(=O)N(C2=O)C3=CC=CC4=CC=CC=C43)[C@]5(N1)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C24H19N3O3/c1-13-19-20(24(26-13)16-10-4-5-11-17(16)25-23(24)30)22(29)27(21(19)28)18-12-6-8-14-7-2-3-9-15(14)18/h2-13,19-20,26H,1H3,(H,25,30)/t13-,19+,20-,24-/m1/s1
SMILES: CC(=CCOC1=CC=CC=C1/C=C\2/C(=O)O[C@]([S@]2=O)(C)C(C)(C)C)C
InChI: InChI=1S/C20H26O4S/c1-14(2)11-12-23-16-10-8-7-9-15(16)13-17-18(21)24-20(6,25(17)22)19(3,4)5/h7-11,13H,12H2,1-6H3/b17-13-/t20-,25-/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N(C)CCOC3=CC=C(C=C3)Cl
InChI: InChI=1S/C20H26ClN3O4/c1-14-5-3-4-10-20(14)18(26)24(19(27)22-20)13-17(25)23(2)11-12-28-16-8-6-15(21)7-9-16/h6-9,14H,3-5,10-13H2,1-2H3,(H,22,27)/t14-,20+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2C(=O)C3=CC=CC=C3[C@@]2(C4=CC=CC=C4)O
InChI: InChI=1S/C22H18O2/c1-15-11-13-16(14-12-15)20-21(23)18-9-5-6-10-19(18)22(20,24)17-7-3-2-4-8-17/h2-14,20,24H,1H3/t20-,22+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@]2([C@H]([C@@H](O1)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C)N[C@@H](CS2)C(=O)N
InChI: InChI=1S/C24H44N4O6SSi2/c1-22(2,3)36(7,8)32-13-16-24(27-15(14-35-24)19(25)30)18(34-37(9,10)23(4,5)6)20(33-16)28-12-11-17(29)26-21(28)31/h11-12,15-16,18,20,27H,13-14H2,1-10H3,(H2,25,30)(H,26,29,31)/t15-,16+,18-,20+,24+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C4=C(C(=CC=C4)C(=O)[O-])N[C@@H]3C5=CC=CC=C5Cl
InChI: InChI=1S/C21H20ClNO2/c22-16-7-2-1-4-13(16)20-18-12-9-8-11(10-12)17(18)14-5-3-6-15(21(24)25)19(14)23-20/h1-7,11-12,17-18,20,23H,8-10H2,(H,24,25)/p-1/t11-,12+,17+,18+,20+/m0/s1
SMILES: CC(=O)C1=CC=C(C=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=CC7=CC=CC=C76)O)C8=CC=CC=C8)C9=CC(=CC=C9)Cl
InChI: InChI=1S/C44H33ClN2O6/c1-24(48)25-14-17-29(18-15-25)46-40(50)33-20-19-32-34(37(33)42(46)52)23-35-41(51)47(30-12-7-11-28(45)22-30)43(53)44(35,27-9-3-2-4-10-27)39(32)38-31-13-6-5-8-26(31)16-21-36(38)49/h2-19,21-22,33-35,37,39,49H,20,23H2,1H3/t33-,34+,35-,37-,39+,44+/m0/s1
SMILES: CN1C2=CC=CC=C2C3=C1[C@@H]4[C@H]([C@H](N4CC3)C=C)C(=O)O
InChI: InChI=1S/C17H18N2O2/c1-3-12-14(17(20)21)16-15-11(8-9-19(12)16)10-6-4-5-7-13(10)18(15)2/h3-7,12,14,16H,1,8-9H2,2H3,(H,20,21)/t12-,14+,16+/m1/s1
SMILES: C[C@@]12CC[C@@H](C(=C)[C@H]1C[C@@H]3C[C@H]([C@H]([C@@](C3(C)C)([C@@H]4[C@@H]2OC(O4)(C)C)O)O)OCOCC[Si](C)(C)C)OCOC
InChI: InChI=1S/C30H54O8Si/c1-19-21-15-20-16-23(36-18-34-13-14-39(8,9)10)24(31)30(32,27(20,2)3)26-25(37-28(4,5)38-26)29(21,6)12-11-22(19)35-17-33-7/h20-26,31-32H,1,11-18H2,2-10H3/t20-,21-,22+,23-,24-,25+,26+,29-,30+/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=CC(=C8)OC(F)(F)F)O)C(=O)N(C7=O)C9=CC=C(C=C9)C=C)C
InChI: InChI=1S/C43H34ClF3N4O6S/c1-5-21-6-9-23(10-7-21)50-38(53)26-13-12-25-28(35(26)40(50)55)18-30-39(54)51(34-19-31(48-49(34)4)37-20(2)27-16-22(44)8-15-33(27)58-37)41(56)42(30,3)36(25)29-17-24(11-14-32(29)52)57-43(45,46)47/h5-12,14-17,19,26,28,30,35-36,52H,1,13,18H2,2-4H3/t26-,28+,30-,35-,36+,42+/m0/s1
SMILES: CC[C@@H]1[C@@H]([C@@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@](C[C@@H](O3)C)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)CC)O)C)C)[C@H](C)F)C
InChI: InChI=1S/C38H66FNO9/c1-14-28-23(6)30(26(9)39)32-20(3)17-38(11,49-32)34(48-36-31(41)27(40(12)15-2)16-21(4)45-36)24(7)33(25(8)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,41H,14-19H2,1-13H3/t21-,22+,23+,24+,25-,26+,27+,28-,29+,30-,31-,33+,34-,36+,37+,38-/m1/s1
SMILES: CN1[C@H]2[C@H](C(=O)N(C1=O)C)N(C(=[N+]3CCOCC3)N2)CCC4=CC=CC=C4
InChI: InChI=1S/C19H25N5O3/c1-21-16-15(17(25)22(2)19(21)26)24(9-8-14-6-4-3-5-7-14)18(20-16)23-10-12-27-13-11-23/h3-7,15-16H,8-13H2,1-2H3/p+1/t15-,16+/m1/s1
SMILES: C[C@]12CC(O[C@]1(O[C@@H]2C3=CC=CC4=CC=CC=C43)O[Si](C)(C)C(C)(C)C)(C)C
InChI: InChI=1S/C24H34O3Si/c1-21(2,3)28(7,8)27-24-23(6,16-22(4,5)26-24)20(25-24)19-15-11-13-17-12-9-10-14-18(17)19/h9-15,20H,16H2,1-8H3/t20-,23-,24+/m1/s1
SMILES: CC(C)C[C@H](C1=C(C(=C(C(=C1O)C=O)O)C=O)O)[C@]2(CC[C@@H]3[C@@H]2[C@H]4[C@H](C4(C)C)CC[C@@]3(C)O)C
InChI: InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3/t17-,18-,19-,21-,22-,27-,28-/m1/s1
SMILES: C1CC(C1)[C@H](C(=O)O)N2C[C@@H]([C@H](C2)C3=CC(=CC=C3)F)CN4CCC(CC4)N(CC5CC5)C6=NC=CC=N6
InChI: InChI=1S/C30H40FN5O2/c31-25-7-2-6-23(16-25)27-20-35(28(29(37)38)22-4-1-5-22)19-24(27)18-34-14-10-26(11-15-34)36(17-21-8-9-21)30-32-12-3-13-33-30/h2-3,6-7,12-13,16,21-22,24,26-28H,1,4-5,8-11,14-15,17-20H2,(H,37,38)/t24-,27+,28+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)NC4=O)C5=C(C=C(C=C5)O)Cl
InChI: InChI=1S/C23H18ClNO5/c1-9-6-17(27)15-8-14-11(4-5-13-19(14)23(30)25-22(13)29)18(20(15)21(9)28)12-3-2-10(26)7-16(12)24/h2-4,6-7,13-14,18-19,26H,5,8H2,1H3,(H,25,29,30)/t13-,14+,18+,19-/m0/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)N(C(=S)N2)C3=C(C=C(C=C3)Br)F
InChI: InChI=1S/C11H10BrFN2O2S2/c12-6-1-2-9(7(13)3-6)15-10-5-19(16,17)4-8(10)14-11(15)18/h1-3,8,10H,4-5H2,(H,14,18)/t8-,10-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)[C@@H](C)C(=O)SC2=CC=CC=C2C(=O)N(CC(C)C)CC(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H48N2O4SSi/c1-18(2)16-31(17-19(3)4)27(33)22-14-12-13-15-23(22)36-28(34)20(5)25-24(26(32)30-25)21(6)35-37(10,11)29(7,8)9/h12-15,18-21,24-25H,16-17H2,1-11H3,(H,30,32)/t20-,21-,24-,25-/m1/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NC(C)C)/C)OC)OC(=O)N)\C)C)O)OC
InChI: InChI=1S/C31H45N3O8/c1-16(2)33-26-21-12-17(3)13-25(41-8)27(36)19(5)14-20(6)29(42-31(32)39)24(40-7)11-9-10-18(4)30(38)34-22(28(21)37)15-23(26)35/h9-11,14-17,19,24-25,27,29,33,36H,12-13H2,1-8H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-14+/t17-,19+,24+,25+,27-,29+/m1/s1