EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CCC[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H](C([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)N(C)C
InChI: InChI=1S/C42H74N2O14/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)44(11)12)58-38-29(17-18-45)20-24(3)30(43(9)10)16-14-15-25(4)52-33(48)21-31(39(38)51-13)55-28(7)46/h18,23-27,29-31,34-41,49-50H,14-17,19-22H2,1-13H3/t24-,25-,26-,27+,29+,30+,31-,34+,35-,36-,37?,38+,39+,40+,41+,42-/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)Cl)C
InChI: InChI=1S/C19H27ClO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3/t13-,14+,15-,16+,18-,19+/m0/s1
SMILES: CO[C@@]1([C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C6=CC=CO6
InChI: InChI=1S/C39H40O7/c1-40-39(35-23-14-24-42-35)38(45-28-33-21-12-5-13-22-33)37(44-27-32-19-10-4-11-20-32)36(43-26-31-17-8-3-9-18-31)34(46-39)29-41-25-30-15-6-2-7-16-30/h2-24,34,36-38H,25-29H2,1H3/t34-,36-,37+,38+,39+/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CO3)C(=O)O)CSC4=NN=C(N4N)C5=CC=CO5
InChI: InChI=1S/C20H18N6O6S2/c21-26-16(12-4-2-6-32-12)23-24-20(26)34-9-10-8-33-18-14(17(28)25(18)15(10)19(29)30)22-13(27)7-11-3-1-5-31-11/h1-6,14,18H,7-9,21H2,(H,22,27)(H,29,30)/t14-,18-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)OC(F)F
InChI: InChI=1S/C18H23F2NO4/c1-11-4-3-5-15(12(11)2)21-16(22)10-24-17(23)13-6-8-14(9-7-13)25-18(19)20/h6-9,11-12,15,18H,3-5,10H2,1-2H3,(H,21,22)/t11-,12+,15-/m0/s1
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C[C@H]5CCOC5=O)C[C@@H](C6=CC(=O)C=C[C@@]63C)F)F)O
InChI: InChI=1S/C27H34F2O6/c1-23(2)34-21-11-16-17-10-19(28)18-9-15(30)5-7-24(18,3)27(17,29)20(31)13-25(16,4)26(21,35-23)12-14-6-8-33-22(14)32/h5,7,9,14,16-17,19-21,31H,6,8,10-13H2,1-4H3/t14-,16+,17+,19+,20+,21-,24+,25+,26-,27+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)NC56CC7CC(C5)CC(C7)C6)CSC8=CC=CC=[N+]8[O-]
InChI: InChI=1S/C42H47N3O5S/c1-27-37(26-51-38-8-4-5-17-45(38)48)49-40(50-39(27)33-11-9-28(25-46)10-12-33)34-15-13-32(14-16-34)36-7-3-2-6-35(36)24-43-41(47)44-42-21-29-18-30(22-42)20-31(19-29)23-42/h2-17,27,29-31,37,39-40,46H,18-26H2,1H3,(H2,43,44,47)/t27-,29?,30?,31?,37+,39+,40+,42?/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H](CC(=O)[C@]2([C@H](C3=C([C@@H]1O[Si](C)(C)C(C)(C)C)OC=C3)O[Si](C)(C)C(C)(C)C)C)OC
InChI: InChI=1S/C27H48O5Si2/c1-17-21-19(29-9)16-20(28)27(21,8)24(32-34(12,13)26(5,6)7)18-14-15-30-23(18)22(17)31-33(10,11)25(2,3)4/h14-15,17,19,21-22,24H,16H2,1-13H3/t17-,19-,21+,22+,24-,27+/m0/s1
SMILES: CC1=C(C[C@H]([C@H](C1)C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)[O-])C
InChI: InChI=1S/C17H19NO5/c1-9-5-12(13(17(20)21)6-10(9)2)16(19)18-11-3-4-14-15(7-11)23-8-22-14/h3-4,7,12-13H,5-6,8H2,1-2H3,(H,18,19)(H,20,21)/p-1/t12-,13+/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=CC(=O)OC4=C3C=C(C(=C4)C)C
InChI: InChI=1S/C21H24N2O4/c1-12-8-16-15(10-18(24)27-17(16)9-13(12)2)11-23-19(25)21(22-20(23)26)7-5-4-6-14(21)3/h8-10,14H,4-7,11H2,1-3H3,(H,22,26)/t14-,21-/m1/s1
SMILES: CC(C)(C)C1=C[C@]2(CC(=O)[C@@]23[C@@H]1CCCC3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H36O2Si/c1-18(2,3)16-13-20(23-24(7,8)19(4,5)6)14-17(22)21(20)12-10-9-11-15(16)21/h13,15H,9-12,14H2,1-8H3/t15-,20-,21-/m1/s1
SMILES: CC(=C)C1=C(C(=C2C(=C1)C[C@H]3[C@@]2(CCCC3(C)C)C)OC)OC(=O)C
InChI: InChI=1S/C22H30O3/c1-13(2)16-11-15-12-17-21(4,5)9-8-10-22(17,6)18(15)20(24-7)19(16)25-14(3)23/h11,17H,1,8-10,12H2,2-7H3/t17-,22+/m1/s1
SMILES: C[C@H]([C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3CCCCC3)[C@@]4([NH2+]1)C5=CC=CC=C5NC4=O)O
InChI: InChI=1S/C21H25N3O4/c1-11(25)17-15-16(19(27)24(18(15)26)12-7-3-2-4-8-12)21(23-17)13-9-5-6-10-14(13)22-20(21)28/h5-6,9-12,15-17,23,25H,2-4,7-8H2,1H3,(H,22,28)/p+1/t11-,15+,16+,17+,21+/m1/s1
SMILES: CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
InChI: InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
SMILES: C[C@H]1C[C@@]([C@@H](CN1C)C)(CCN=CC2=CC=C(C=C2)OC(C)C)O
InChI: InChI=1S/C20H32N2O2/c1-15(2)24-19-8-6-18(7-9-19)13-21-11-10-20(23)12-17(4)22(5)14-16(20)3/h6-9,13,15-17,23H,10-12,14H2,1-5H3/t16-,17+,20-/m1/s1
SMILES: COC1=C(C=C2C(=C1)CCN3[C@]24CC(=O)C=C[C@H]4C[C@H]3O)OC
InChI: InChI=1S/C18H21NO4/c1-22-15-7-11-5-6-19-17(21)8-12-3-4-13(20)10-18(12,19)14(11)9-16(15)23-2/h3-4,7,9,12,17,21H,5-6,8,10H2,1-2H3/t12-,17+,18-/m0/s1
SMILES: CN(C1=CC=C(C=C1)Cl)C2=CC=[N+](C=C2)C[C@@H]3C[C@H]3C[N+]4=CC=C(C=C4)N(C)C5=CC=C(C=C5)Cl.[Br-].[Br-]
InChI: InChI=1S/C29H30Cl2N4.2BrH/c1-32(26-7-3-24(30)4-8-26)28-11-15-34(16-12-28)20-22-19-23(22)21-35-17-13-29(14-18-35)33(2)27-9-5-25(31)6-10-27;;/h3-18,22-23H,19-21H2,1-2H3;2*1H/q+2;;/p-2/t22-,23-;;/m0../s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC5=CC=C(C=C5)OC(C)C(=O)OC6=CC=CC=C6OC)C
InChI: InChI=1S/C31H38O9/c1-18-10-15-24-19(2)28(37-29-31(24)23(18)16-17-30(4,38-29)39-40-31)35-22-13-11-21(12-14-22)34-20(3)27(32)36-26-9-7-6-8-25(26)33-5/h6-9,11-14,18-20,23-24,28-29H,10,15-17H2,1-5H3/t18-,19-,20?,23+,24+,28+,29-,30-,31-/m1/s1
SMILES: CC1=CC=C(C=C1)[S@@](=O)[C@@]2([C@H](N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C
InChI: InChI=1S/C22H20ClNOS/c1-16-8-14-20(15-9-16)26(25)22(2)21(17-10-12-18(23)13-11-17)24(22)19-6-4-3-5-7-19/h3-15,21H,1-2H3/t21-,22-,24?,26-/m1/s1
SMILES: CC(=O)O[C@@]1(CC[C@@H]2[C@@]([C@H]1C/C=C/3\CCOC3=O)(CCCC2(C)C)C)C
InChI: InChI=1S/C22H34O4/c1-15(23)26-22(5)13-9-17-20(2,3)11-6-12-21(17,4)18(22)8-7-16-10-14-25-19(16)24/h7,17-18H,6,8-14H2,1-5H3/b16-7+/t17-,18+,21-,22+/m0/s1
SMILES: CC1([C@H]2C=C[C@H]3[C@@H]([C@H]2[C@@]1(C4=CC=CC=C4N=NN5CCCC5)O)OC(O3)(C)C)C
InChI: InChI=1S/C23H31N3O3/c1-21(2)16-11-12-18-20(29-22(3,4)28-18)19(16)23(21,27)15-9-5-6-10-17(15)24-25-26-13-7-8-14-26/h5-6,9-12,16,18-20,27H,7-8,13-14H2,1-4H3/t16-,18-,19-,20-,23+/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=CC=C5O)C6=CC=C(C=C6)Cl)NC7=CC=C(C=C7)F
InChI: InChI=1S/C35H31ClFN3O5/c1-2-17-39-31(42)25-16-15-23-26(29(25)33(39)44)18-27-32(43)40(38-22-13-11-21(37)12-14-22)34(45)35(27,19-7-9-20(36)10-8-19)30(23)24-5-3-4-6-28(24)41/h3-15,25-27,29-30,38,41H,2,16-18H2,1H3/t25-,26+,27-,29-,30+,35+/m0/s1
SMILES: C1CC[C@H]2CN(C[C@H]2C1)C(=O)[C@@H](CC3=CC=CC=C3)CC(=O)ON4C5=CC=CC=C5N=N4
InChI: InChI=1S/C25H28N4O3/c30-24(32-29-23-13-7-6-12-22(23)26-27-29)15-21(14-18-8-2-1-3-9-18)25(31)28-16-19-10-4-5-11-20(19)17-28/h1-3,6-9,12-13,19-21H,4-5,10-11,14-17H2/t19-,20+,21-/m0/s1
SMILES: COC(=O)N1[C@H]2C[C@@H]([C@@H]([C@@H]1C=C2)C3=CC=CC=C3)O
InChI: InChI=1S/C15H17NO3/c1-19-15(18)16-11-7-8-12(16)14(13(17)9-11)10-5-3-2-4-6-10/h2-8,11-14,17H,9H2,1H3/t11-,12+,13+,14-/m1/s1
SMILES: CC(=O)ONC[C@@H]1C2CCC(=C)[C@@]2(CCC1[C@]3(CC[C@@H](C[C@@H]3CO)O)C)C
InChI: InChI=1S/C22H37NO4/c1-14-5-6-19-18(12-23-27-15(2)25)20(8-10-21(14,19)3)22(4)9-7-17(26)11-16(22)13-24/h16-20,23-24,26H,1,5-13H2,2-4H3/t16-,17+,18-,19?,20?,21+,22+/m1/s1
SMILES: B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)C(CCCOC)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](C(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7
InChI: InChI=1S/C43H54BN3O7/c1-42(2)32-26-34(42)43(3)35(27-32)53-44(54-43)36(23-15-25-51-4)45-39(48)33-22-14-24-47(33)40(49)38(46-41(50)52-28-29-16-8-5-9-17-29)37(30-18-10-6-11-19-30)31-20-12-7-13-21-31/h5-13,16-21,32-38H,14-15,22-28H2,1-4H3,(H,45,48)(H,46,50)/t32-,33-,34-,35+,36?,38+,43-/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@@H](O2)OC3=C(OC4=C(C(=C(C(=C4C3=O)O)O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
InChI: InChI=1S/C27H30O17/c1-7-12(29)16(33)21(38)26(41-7)40-6-10-13(30)17(34)22(39)27(42-10)44-25-15(32)11-14(31)18(35)19(36)20(37)24(11)43-23(25)8-2-4-9(28)5-3-8/h2-5,7,10,12-13,16-17,21-22,26-31,33-39H,6H2,1H3/t7-,10+,12-,13+,16+,17-,21-,22+,26+,27-/m0/s1
SMILES: CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)OCC5=CC=C(C=C5)OC
InChI: InChI=1S/C27H26N4O5S3/c1-16-29-30-27(39-16)38-15-19-14-37-25-22(28-21(32)12-17-6-4-3-5-7-17)24(33)31(25)23(19)26(34)36-13-18-8-10-20(35-2)11-9-18/h3-11,22,25H,12-15H2,1-2H3,(H,28,32)/t22-,25-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=NN=C2SCC(=O)N[C@@H](C)C(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C23H34N4O2S/c1-15(2)17(4)24-21(28)14-30-23-26-25-22(18-10-12-19(29-5)13-11-18)27(23)20-9-7-6-8-16(20)3/h10-13,15-17,20H,6-9,14H2,1-5H3,(H,24,28)/t16-,17+,20+/m1/s1
SMILES: CC(=O)OC([C@@]12C=C[C@@H](O1)[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=CC=C4)Cl)OC(=O)C
InChI: InChI=1S/C19H16ClNO7/c1-9(22)26-18(27-10(2)23)19-7-6-13(28-19)14-15(19)17(25)21(16(14)24)12-5-3-4-11(20)8-12/h3-8,13-15,18H,1-2H3/t13-,14+,15-,19+/m1/s1
SMILES: C1CCN(C1)[C@@H]2CC[C@@H]3N(CC[C@H]2O3)C(=O)CC4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C19H24Cl2N2O2/c20-14-4-3-13(11-15(14)21)12-18(24)23-10-7-17-16(5-6-19(23)25-17)22-8-1-2-9-22/h3-4,11,16-17,19H,1-2,5-10,12H2/t16-,17-,19-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)OC)OC
InChI: InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CNC(=O)COC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C15H21NO7/c1-21-15-14(20)13(19)12(18)10(23-15)7-16-11(17)8-22-9-5-3-2-4-6-9/h2-6,10,12-15,18-20H,7-8H2,1H3,(H,16,17)/t10-,12-,13+,14+,15+/m1/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@@H]([C@@H](O3)C5=CC(=CC=C5)Br)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)Cl
InChI: InChI=1S/C26H14BrCl2NO5/c27-13-5-3-4-12(10-13)21-19-20(25(34)30(24(19)33)14-8-9-17(28)18(29)11-14)26(35-21)22(31)15-6-1-2-7-16(15)23(26)32/h1-11,19-21H/t19-,20-,21-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN6CCOCC6)O)C(=C5)C(=O)C7=CC(=CC=C7)C(F)(F)F)O)C
InChI: InChI=1S/C34H42F3NO4/c1-29-9-6-24(39)19-31(29)12-13-33(25(20-31)28(40)22-4-3-5-23(18-22)34(35,36)37)26(29)7-10-30(2)27(33)8-11-32(30,41)21-38-14-16-42-17-15-38/h3-5,12-13,18,20,24,26-27,39,41H,6-11,14-17,19,21H2,1-2H3/t24?,26-,27-,29-,30+,31+,32-,33-/m1/s1
SMILES: C[C@]12C[C@@H]([C@@]3([C@@H]([C@@H]1C[C@@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O
InChI: InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14+,15+,16+,18+,19+,20-,21+/m1/s1
SMILES: CC(=C)C(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC
InChI: InChI=1S/C25H30O8/c1-13(2)21(27)32-17-10-16(22(28)30-5)24(3)8-6-15-23(29)33-18(14-7-9-31-12-14)11-25(15,4)20(24)19(17)26/h7,9,12,15-18,20H,1,6,8,10-11H2,2-5H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OCC3[C@H]4[C@@H]3CN(C4)CC5=CC=C(S5)[N+](=O)[O-])F
InChI: InChI=1S/C23H25FN4O6S/c1-13(29)25-7-15-8-27(23(30)34-15)14-2-4-21(20(24)6-14)33-12-19-17-10-26(11-18(17)19)9-16-3-5-22(35-16)28(31)32/h2-6,15,17-19H,7-12H2,1H3,(H,25,29)/t15-,17-,18+,19?/m0/s1
SMILES: C/C(=N/NC(=O)[C@H]1C[C@H]1C2=CC=CC=C2)/C3=CC=C(C=C3)Br
InChI: InChI=1S/C18H17BrN2O/c1-12(13-7-9-15(19)10-8-13)20-21-18(22)17-11-16(17)14-5-3-2-4-6-14/h2-10,16-17H,11H2,1H3,(H,21,22)/b20-12-/t16-,17-/m0/s1
SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]1CCC3=CN=C(N=C23)N
InChI: InChI=1S/C16H24N4O2/c1-16(2,3)22-15(21)20-8-4-5-11-12(20)7-6-10-9-18-14(17)19-13(10)11/h9,11-12H,4-8H2,1-3H3,(H2,17,18,19)/t11-,12+/m1/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)OC)C(C)C
InChI: InChI=1S/C26H29NO5/c1-15(2)20-11-5-16(3)13-23(20)32-26(30)17-6-12-21-22(14-17)25(29)27(24(21)28)18-7-9-19(31-4)10-8-18/h6-10,12,14-16,20,23H,5,11,13H2,1-4H3/t16-,20-,23+/m0/s1
SMILES: COC(=O)C1=CC(=CC=C1)OCCNC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C23H34N2O13S/c1-34-21(33)10-3-2-4-11(7-10)35-6-5-24-23(39)25-20-17(31)16(30)19(13(9-27)36-20)38-22-18(32)15(29)14(28)12(8-26)37-22/h2-4,7,12-20,22,26-32H,5-6,8-9H2,1H3,(H2,24,25,39)/t12-,13-,14+,15+,16-,17-,18-,19-,20-,22+/m1/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCCCN2CCCC2=O)C3=CC=CC=C3)CCOCCOCCO
InChI: InChI=1S/C27H40N2O7/c1-2-35-27-22(11-16-33-18-19-34-17-15-30)23(21-8-4-3-5-9-21)20-24(36-27)26(32)28-12-7-14-29-13-6-10-25(29)31/h3-5,8-9,20,22-23,27,30H,2,6-7,10-19H2,1H3,(H,28,32)/t22-,23+,27+/m0/s1
SMILES: CC(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=CC5=C(C=C4)N=C(S5)NC(=O)CN6CCNCC6
InChI: InChI=1S/C34H46N6O8S2/c1-22(2)18-40(50(44,45)24-8-9-26-30(17-24)49-33(36-26)38-31(42)20-39-13-11-35-12-14-39)19-28(41)27(16-23-6-4-3-5-7-23)37-34(43)48-29-21-47-32-25(29)10-15-46-32/h3-9,17,22,25,27-29,32,35,41H,10-16,18-21H2,1-2H3,(H,37,43)(H,36,38,42)/t25-,27-,28+,29-,32+/m0/s1
SMILES: COC1=CC(=CC(=C1OC(=O)NC2=CC=C(C=C2)F)OC)[C@H]3[C@@H]4[C@@H](CC5=CC6=C(C=C35)OCO6)COC4=O
InChI: InChI=1S/C28H24FNO8/c1-33-22-9-15(10-23(34-2)26(22)38-28(32)30-18-5-3-17(29)4-6-18)24-19-11-21-20(36-13-37-21)8-14(19)7-16-12-35-27(31)25(16)24/h3-6,8-11,16,24-25H,7,12-13H2,1-2H3,(H,30,32)/t16-,24+,25-/m0/s1
SMILES: C[C@@H]1CC2=C([C@@H](NC3=CC=CC=C3N2)C4=CC(=CC=C4)OC)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C23H24N2O4/c1-13-11-18-20(22(26)19(13)23(27)29-3)21(14-7-6-8-15(12-14)28-2)25-17-10-5-4-9-16(17)24-18/h4-10,12-13,19,21,24-25H,11H2,1-3H3/t13-,19-,21+/m1/s1
SMILES: C[C@@H]1CC[C@H]2C(=C)C(=O)O[C@@]23[C@@H]1CC[C@@]4([C@H]3O4)C
InChI: InChI=1S/C15H20O3/c1-8-4-5-11-9(2)12(16)17-15(11)10(8)6-7-14(3)13(15)18-14/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10-,11+,13-,14-,15+/m1/s1
SMILES: CC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](CC(O1)(C(=O)O)O)O)N)O)O
InChI: InChI=1S/C11H19NO9/c1-4(13)20-3-6(15)8(16)9-7(12)5(14)2-11(19,21-9)10(17)18/h5-9,14-16,19H,2-3,12H2,1H3,(H,17,18)/t5-,6+,7+,8+,9+,11?/m0/s1
SMILES: CC[C@@H]1[C@@H]([C@H](OCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C2=COC(=N2)C)/F)/C)C)O
InChI: InChI=1S/C26H38FNO7/c1-7-19-24(31)16(3)33-11-10-15(2)8-9-21(20(27)12-18-14-34-17(4)28-18)35-23(30)13-22(29)26(5,6)25(19)32/h8,12,14,16,19,21-22,24,29,31H,7,9-11,13H2,1-6H3/b15-8-,20-12-/t16-,19-,21+,22+,24-/m1/s1
SMILES: C[C@@H]1CC[C@H]2CC(=O)N([C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)CCCC5=CC=CC=C5
InChI: InChI=1S/C23H31NO4/c1-16-10-11-18-15-20(25)24(14-6-9-17-7-4-3-5-8-17)21-23(18)19(16)12-13-22(2,26-21)27-28-23/h3-5,7-8,16,18-19,21H,6,9-15H2,1-2H3/t16-,18+,19+,21-,22-,23+/m1/s1
SMILES: CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C13H14Cl2N2O2S2/c1-2-20-13-16-11-6-21(18,19)7-12(11)17(13)8-3-4-9(14)10(15)5-8/h3-5,11-12H,2,6-7H2,1H3/t11-,12+/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@]2(C3=C(C=CC(=C3)C)NC2=O)[NH+]4[C@H]1CCC4
InChI: InChI=1S/C18H22N2O3/c1-3-23-16(21)12-10-18(20-8-4-5-15(12)20)13-9-11(2)6-7-14(13)19-17(18)22/h6-7,9,12,15H,3-5,8,10H2,1-2H3,(H,19,22)/p+1/t12-,15-,18+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C6=CC=CC=C6C=C5)O)C(=O)N(C4=O)C
InChI: InChI=1S/C28H23NO5/c1-13-11-21(30)24-20(25(13)31)12-19-16(9-10-18-23(19)28(34)29(2)27(18)33)22(24)17-8-7-14-5-3-4-6-15(14)26(17)32/h3-9,11,18-19,22-23,32H,10,12H2,1-2H3/t18-,19+,22+,23-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CCCC=C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@@H]2C=C)C(=O)O)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5
InChI: InChI=1S/C39H46N4O8/c1-7-9-11-16-29(41-37(48)51-38(3,4)5)35(45)43-23-27(20-32(43)34(44)42-39(36(46)47)22-25(39)8-2)50-33-21-30(24-14-12-10-13-15-24)40-31-19-26(49-6)17-18-28(31)33/h7-8,10,12-15,17-19,21,25,27,29,32H,1-2,9,11,16,20,22-23H2,3-6H3,(H,41,48)(H,42,44)(H,46,47)/t25-,27+,29-,32-,39+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C20H26N2O5/c1-13-7-6-9-17(14(13)2)21-20(24)15(3)27-19(23)12-11-16-8-4-5-10-18(16)22(25)26/h4-5,8,10-15,17H,6-7,9H2,1-3H3,(H,21,24)/b12-11+/t13-,14-,15-,17-/m1/s1
SMILES: CCC1=C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
InChI: InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)O.CCCCCCCC(=O)O.C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N
InChI: InChI=1S/C16H32O2.C12H17NO3.C8H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15;1-2-3-4-5-6-7-8(9)10/h2-15H2,1H3,(H,17,18);2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15);2-7H2,1H3,(H,9,10)/b;3-2+,6-5+;/t;10-,11-;/m.1./s1
SMILES: C=C1[C@@H]([C@H](N2C(=NC=N2)N1)C3=CC(=CC=C3)Cl)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C19H16ClN5O/c1-12-16(18(26)24-15-8-3-2-4-9-15)17(13-6-5-7-14(20)10-13)25-19(23-12)21-11-22-25/h2-11,16-17H,1H2,(H,24,26)(H,21,22,23)/t16-,17+/m0/s1
SMILES: CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C34H38O16/c1-14-9-20(48-34-30(45)28(43)26(41)22(13-36)49-34)25(31-24(14)19(39)11-18(46-31)10-15(2)37)32-33(29(44)27(42)21(12-35)47-32)50-23(40)8-5-16-3-6-17(38)7-4-16/h3-9,11,21-22,26-30,32-36,38,41-45H,10,12-13H2,1-2H3/b8-5+/t21-,22-,26-,27-,28+,29+,30-,32+,33-,34-/m1/s1
SMILES: CC(=O)C1=NN2[C@H]([C@@]1(CCCCN3CC(C3)F)C4=CC=CC=C4)COC5=C2C=C(C=C5)F
InChI: InChI=1S/C25H27F2N3O2/c1-17(31)24-25(18-7-3-2-4-8-18,11-5-6-12-29-14-20(27)15-29)23-16-32-22-10-9-19(26)13-21(22)30(23)28-24/h2-4,7-10,13,20,23H,5-6,11-12,14-16H2,1H3/t23-,25+/m0/s1
SMILES: CCS[C@H]1C(=O)[C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C29H26O8S/c1-2-38-29-23(30)25(37-28(33)21-16-10-5-11-17-21)24(36-27(32)20-14-8-4-9-15-20)22(35-29)18-34-26(31)19-12-6-3-7-13-19/h3-17,22,24-25,29H,2,18H2,1H3/t22-,24-,25-,29+/m1/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=CC(=C(C(=C5)OC)O)OC)Cl)C)Cl
InChI: InChI=1S/C24H24Cl2N2O7/c1-27-19(30)12-6-5-11-13(16(12)20(27)31)9-23(25)21(32)28(2)22(33)24(23,26)17(11)10-7-14(34-3)18(29)15(8-10)35-4/h5,7-8,12-13,16-17,29H,6,9H2,1-4H3/t12-,13+,16-,17-,23+,24-/m0/s1
SMILES: CC[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC(=O)C(C4)O)C)C)C#N
InChI: InChI=1S/C22H33NO2/c1-4-16-13(12-23)9-18-15-6-5-14-10-19(24)20(25)11-22(14,3)17(15)7-8-21(16,18)2/h13-19,24H,4-11H2,1-3H3/t13-,14?,15+,16-,17-,18-,19?,21+,22-/m0/s1
SMILES: C[C@]12C[C@@H](C3=C4CC/C(=N\O)/C=C4C(C[C@H]3[C@@H]1CC[C@]2(C#CCO)C(=O)COC)F)C5=CC=C(C=C5)N6CCCCC6
InChI: InChI=1S/C35H43FN2O4/c1-34-21-29(23-7-10-25(11-8-23)38-16-4-3-5-17-38)33-26-12-9-24(37-41)19-27(26)31(36)20-28(33)30(34)13-15-35(34,14-6-18-39)32(40)22-42-2/h7-8,10-11,19,28-31,39,41H,3-5,9,12-13,15-18,20-22H2,1-2H3/b37-24+/t28-,29+,30-,31?,34-,35+/m0/s1
SMILES: COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC5[C@@H]([C@](CO5)(CO)O)O)OC)O
InChI: InChI=1S/C28H32O15/c1-37-13-6-14(31)21-15(32)8-17(40-19(21)7-13)12-3-4-16(18(5-12)38-2)41-26-24(23(34)22(33)20(9-29)42-26)43-27-25(35)28(36,10-30)11-39-27/h3-8,20,22-27,29-31,33-36H,9-11H2,1-2H3/t20-,22-,23+,24-,25+,26-,27?,28-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C3=CC=CC=C3C(=O)N2C4CCCC4)C(=O)O
InChI: InChI=1S/C22H23NO4/c1-27-16-12-10-14(11-13-16)20-19(22(25)26)17-8-4-5-9-18(17)21(24)23(20)15-6-2-3-7-15/h4-5,8-13,15,19-20H,2-3,6-7H2,1H3,(H,25,26)/t19-,20+/m0/s1
SMILES: CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)OC)OC
InChI: InChI=1S/C23H33N3O4/c1-16-12-20(29-2)21(30-3)13-17(16)14-24-8-10-25(11-9-24)15-26-22(27)18-6-4-5-7-19(18)23(26)28/h12-13,18-19H,4-11,14-15H2,1-3H3/p+2/t18-,19-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OCOC
InChI: InChI=1S/C21H34O3/c1-20-10-8-15(24-13-23-3)12-14(20)4-5-16-17-6-7-19(22)21(17,2)11-9-18(16)20/h14-18H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,20-,21-/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)NC4=O)O
InChI: InChI=1S/C33H25Cl2F3N4O6/c1-48-24-10-14(2-9-23(24)43)26-18-7-8-19-25(29(45)40-28(19)44)20(18)12-21-30(46)42(31(47)32(21,26)15-3-5-17(34)6-4-15)41-27-22(35)11-16(13-39-27)33(36,37)38/h2-7,9-11,13,19-21,25-26,43H,8,12H2,1H3,(H,39,41)(H,40,44,45)/t19-,20+,21-,25-,26-,32+/m0/s1
SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=CC=C(C8=CC=CC=C78)O)Cl)C9=CC=C(C=C9)F)Cl
InChI: InChI=1S/C40H32Cl2FN3O6/c41-39-21-31-29(13-14-30-33(31)36(49)45(35(30)48)24-11-9-23(10-12-24)44-17-19-52-20-18-44)34(28-15-16-32(47)27-4-2-1-3-26(27)28)40(39,42)38(51)46(37(39)50)25-7-5-22(43)6-8-25/h1-13,15-16,30-31,33-34,47H,14,17-21H2/t30-,31+,33-,34-,39+,40-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OCC4=CC=CC=C4)CCC5=CC(=C(C=C35)OC=O)OCC6=CC=CC=C6
InChI: InChI=1S/C33H36O4/c1-33-17-16-26-27(29(33)14-15-32(33)36-21-24-10-6-3-7-11-24)13-12-25-18-30(31(37-22-34)19-28(25)26)35-20-23-8-4-2-5-9-23/h2-11,18-19,22,26-27,29,32H,12-17,20-21H2,1H3/t26-,27+,29-,32-,33-/m0/s1
SMILES: C1CSC2=CC=CC=C2CN1C3=NC=NC4=C3N=CN4C5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C19H21N5O4S/c25-8-12-15(26)16(27)19(28-12)24-10-22-14-17(20-9-21-18(14)24)23-5-6-29-13-4-2-1-3-11(13)7-23/h1-4,9-10,12,15-16,19,25-27H,5-8H2/t12-,15-,16-,19?/m1/s1
SMILES: C[C@H]1[C@@H](OC(=O)C2=CSC(=N2)[C@H](C(OC(=O)C3=CSC(=N3)[C@@H](OC1=O)C(C)(C)O)(C)C)OC(=O)C)CCCC(C)(Cl)Cl
InChI: InChI=1S/C27H34Cl2N2O9S2/c1-13-17(9-8-10-27(7,28)29)38-23(34)15-11-42-21(30-15)19(37-14(2)32)26(5,6)40-24(35)16-12-41-20(31-16)18(25(3,4)36)39-22(13)33/h11-13,17-19,36H,8-10H2,1-7H3/t13-,17-,18+,19+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3C(=O)NC4=CC=CC=C4C(C)C)N(C1=O)C(=O)C5CC5
InChI: InChI=1S/C26H34N4O4/c1-15(2)18-7-4-5-8-19(18)27-26(34)28-13-6-9-21(28)25(33)29-14-12-20-22(29)16(3)23(31)30(20)24(32)17-10-11-17/h4-5,7-8,15-17,20-22H,6,9-14H2,1-3H3,(H,27,34)/t16-,20-,21-,22+/m0/s1
SMILES: C[C@H]1[C@H](O[C@@H]([C@@H](C1=O)OCC2=CC=CC=C2)COCC3=CC=CC=C3)CCC4OCCCO4
InChI: InChI=1S/C27H34O6/c1-20-23(13-14-25-30-15-8-16-31-25)33-24(19-29-17-21-9-4-2-5-10-21)27(26(20)28)32-18-22-11-6-3-7-12-22/h2-7,9-12,20,23-25,27H,8,13-19H2,1H3/t20-,23+,24+,27-/m0/s1
SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H](C2(Cl)Cl)C3=CC=CC=C3
InChI: InChI=1S/C18H17Cl2NO2/c1-2-23-14-10-8-13(9-11-14)21-17(22)16-15(18(16,19)20)12-6-4-3-5-7-12/h3-11,15-16H,2H2,1H3,(H,21,22)/t15-,16+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C(=NCCN3C(=O)O2)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OCC#CCC5=CC=C(C=C5)C6=CC=CS6)C)C)C
InChI: InChI=1S/C46H63N3O9S/c1-11-36-46(8)40-29(4)37(47-21-22-49(40)44(53)58-46)27(2)26-45(7,54-23-13-12-15-32-17-19-33(20-18-32)35-16-14-24-59-35)41(30(5)38(50)31(6)42(52)56-36)57-43-39(51)34(48(9)10)25-28(3)55-43/h14,16-20,24,27-31,34,36,39-41,43,51H,11,15,21-23,25-26H2,1-10H3/t27-,28-,29+,30+,31-,34+,36-,39-,40-,41-,43+,45-,46-/m1/s1
SMILES: C1CN(CC[NH+]1CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C16H21Cl2N3O3S/c17-12-2-1-3-13(8-12)21-6-4-20(5-7-21)9-16(22)19-15-11-25(23,24)10-14(15)18/h1-3,8,14-15H,4-7,9-11H2,(H,19,22)/p+1/t14-,15+/m0/s1
SMILES: C1=CC(=C(C=C1F)F)OC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI: InChI=1S/C16H15F2N5O5/c17-6-1-2-8(7(18)3-6)28-16-21-13(19)10-14(22-16)23(5-20-10)15-12(26)11(25)9(4-24)27-15/h1-3,5,9,11-12,15,24-26H,4H2,(H2,19,21,22)/t9-,11-,12-,15-/m1/s1
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(N(C2=O)Br)N
InChI: InChI=1S/C10H15BrN5O14P3/c11-16-8(19)4-7(14-10(16)12)15(2-13-4)9-6(18)5(17)3(28-9)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2-3,5-6,9,17-18H,1H2,(H2,12,14)(H,23,24)(H,25,26)(H2,20,21,22)/t3-,5-,6-,9-/m1/s1
SMILES: CCOC(=O)CN1CCN([C@@H]([C@@H]1C(=O)N)C(=O)N)CC(=O)OCC
InChI: InChI=1S/C14H24N4O6/c1-3-23-9(19)7-17-5-6-18(8-10(20)24-4-2)12(14(16)22)11(17)13(15)21/h11-12H,3-8H2,1-2H3,(H2,15,21)(H2,16,22)/t11-,12+
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CN=C(C=C2)Cl
InChI: InChI=1S/C16H21ClN2O3/c1-10-4-3-5-13(11(10)2)19-15(20)9-22-16(21)12-6-7-14(17)18-8-12/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,19,20)/t10-,11+,13+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[C@H]2C(=CC(=O)O2)C)C(C)C
InChI: InChI=1S/C15H24O3/c1-9(2)12-6-5-10(3)7-13(12)17-15-11(4)8-14(16)18-15/h8-10,12-13,15H,5-7H2,1-4H3/t10-,12+,13-,15-/m1/s1
SMILES: C=C1[C@@H]([C@@H](NC(=S)N1)C2=C(C=CC=C2Cl)F)C(=O)N3CCOCC3
InChI: InChI=1S/C16H17ClFN3O2S/c1-9-12(15(22)21-5-7-23-8-6-21)14(20-16(24)19-9)13-10(17)3-2-4-11(13)18/h2-4,12,14H,1,5-8H2,(H2,19,20,24)/t12-,14+/m0/s1
SMILES: CC(C)(C)OC(=O)[C@@]12CC[C@@H](N1C(=O)OCC3=CC=CC=C3)[C@H](C2)CN
InChI: InChI=1S/C20H28N2O4/c1-19(2,3)26-17(23)20-10-9-16(15(11-20)12-21)22(20)18(24)25-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13,21H2,1-3H3/t15-,16-,20+/m1/s1