EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]1(O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O1)OCC3=CC=CC=C3)OC)COCC4=CC=CC=C4)CO
InChI: InChI=1S/C24H30O7/c1-24(16-25)30-20-19(15-27-13-17-9-5-3-6-10-17)29-23(26-2)22(21(20)31-24)28-14-18-11-7-4-8-12-18/h3-12,19-23,25H,13-16H2,1-2H3/t19-,20+,21+,22-,23+,24-/m1/s1
SMILES: C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)NC(=O)/C=C/C(=O)NC5=CC6=C(C[C@@H]7[C@H]8[C@@]6(CCCC8)CCN7CC9CCC9)C=C5)CC1CCC1
InChI: InChI=1S/C46H60N4O2/c51-43(47-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-49(41)29-31-7-5-8-31)17-18-44(52)48-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-50(42)30-32-9-6-10-32/h13-18,27-28,31-32,37-38,41-42H,1-12,19-26,29-30H2,(H,47,51)(H,48,52)/b18-17+/t37-,38-,41+,42+,45+,46+/m0/s1
SMILES: C[C@@H]1CO[C@]([C@H]1SC2=CC=C(C=C2)OC)(C)CCCC3=CC=CC=C3
InChI: InChI=1S/C22H28O2S/c1-17-16-24-22(2,15-7-10-18-8-5-4-6-9-18)21(17)25-20-13-11-19(23-3)12-14-20/h4-6,8-9,11-14,17,21H,7,10,15-16H2,1-3H3/t17-,21+,22-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2C=C(C(=O)C[C@@H]2C)[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C32H51NO3Si/c1-21(2)37(22(3)4,23(5)6)30-20-33(25(8)19-28(30)34)31(35)36-29-18-24(7)16-17-27(29)32(9,10)26-14-12-11-13-15-26/h11-15,20-25,27,29H,16-19H2,1-10H3/t24-,25+,27-,29-/m1/s1
SMILES: CCCCCCCCCCCCCCCCC(C(=O)N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[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)O)O)N
InChI: InChI=1S/C36H68N2O16/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(37)33(49)38-34-28(46)26(44)31(22(18-40)50-34)53-36-30(48)27(45)32(23(19-41)52-36)54-35-29(47)25(43)24(42)21(17-39)51-35/h20-32,34-36,39-48H,2-19,37H2,1H3,(H,38,49)/t20?,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,34-,35-,36-/m1/s1
SMILES: CNC1=CC=CC=C1C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C=CC(=O)NC3=O)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C23H31N3O18P2/c1-24-11-5-3-2-4-10(11)21(33)42-19-16(30)13(40-20(19)26-7-6-14(28)25-23(26)34)9-39-45(35,36)44-46(37,38)43-22-18(32)17(31)15(29)12(8-27)41-22/h2-7,12-13,15-20,22,24,27,29-32H,8-9H2,1H3,(H,35,36)(H,37,38)(H,25,28,34)/t12-,13-,15-,16-,17+,18-,19-,20-,22-/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C(C(=O)CC[C@]34C)SCCC(=O)O)C
InChI: InChI=1S/C24H34O4S/c1-14(25)16-6-7-17-15-4-5-19-22(29-13-10-21(27)28)20(26)9-12-24(19,3)18(15)8-11-23(16,17)2/h15-18H,4-13H2,1-3H3,(H,27,28)/t15-,16+,17-,18-,23+,24+/m0/s1
SMILES: CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3C[C@@H]4C[C@@]4(C3)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C21H24ClN5OS/c1-14-18(28-13-23-14)19-24-25-20(26(19)2)29-9-3-8-27-11-16-10-21(16,12-27)15-4-6-17(22)7-5-15/h4-7,13,16H,3,8-12H2,1-2H3/t16-,21+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=CC=C3
InChI: InChI=1S/C20H23N3O4S/c1-13-7-5-6-10-15(13)22-20(26)23-17(24)11-27-19(25)16-12-28-18(21-16)14-8-3-2-4-9-14/h2-4,8-9,12-13,15H,5-7,10-11H2,1H3,(H2,22,23,24,26)/t13-,15+/m0/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C41H42O5S/c1-2-47-40-39(44-29-32-20-10-4-11-21-32)38(43-28-31-18-8-3-9-19-31)37(42)36(46-40)30-45-41(33-22-12-5-13-23-33,34-24-14-6-15-25-34)35-26-16-7-17-27-35/h3-27,36-40,42H,2,28-30H2,1H3/t36-,37-,38+,39-,40+/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O)NS(=O)(=O)CC3=CC=CC=C3
InChI: InChI=1S/C13H17NO5S/c15-11-7-19-12-10(6-18-13(11)12)14-20(16,17)8-9-4-2-1-3-5-9/h1-5,10-15H,6-8H2/t10-,11+,12+,13+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)F)CC[C@@H]4[C@@]3(C=CC(=O)N4C)C
InChI: InChI=1S/C19H28FNO2/c1-18-9-7-16(22)21(3)15(18)5-4-11-12(18)6-8-19(2)13(11)10-14(20)17(19)23/h7,9,11-15,17,23H,4-6,8,10H2,1-3H3/t11-,12+,13+,14-,15-,17+,18-,19+/m1/s1
SMILES: C[C@H](CCC(=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/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18-,19+,20+,21+,23+,24-/m1/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@@H](S3)CO)O)O)Cl)N
InChI: InChI=1S/C10H12ClN5O3S/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5+,6-,9+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=CC=CC(=C1)C[C@@]2([C@H](OC(=N2)C3=CC=CC=C3)C[Se]C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C31H37NO4SeSi/c1-30(2,3)38(5,6)36-25-17-13-14-23(20-25)21-31(29(33)34-4)27(22-37-26-18-11-8-12-19-26)35-28(32-31)24-15-9-7-10-16-24/h7-20,27H,21-22H2,1-6H3/t27-,31-/m1/s1
SMILES: CC(=O)O[C@H](CC=C)[C@@H]1[C@@H](OC(O1)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H36O5Si/c1-11-13-16(22-14(3)21)18-17(23-20(7,8)24-18)15(12-2)25-26(9,10)19(4,5)6/h11-12,15-18H,1-2,13H2,3-10H3/t15-,16-,17+,18-/m1/s1
SMILES: C1CCC(C1)(C#C[C@H]2[C@@H](CC(=O)[C@@H]2CCCC3=CC=C(C=C3)C(=O)O)O)O
InChI: InChI=1S/C22H26O5/c23-19-14-20(24)18(10-13-22(27)11-1-2-12-22)17(19)5-3-4-15-6-8-16(9-7-15)21(25)26/h6-9,17-18,20,24,27H,1-5,11-12,14H2,(H,25,26)/t17-,18-,20-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C14H18N2O4S/c17-16(18)13-3-5-14(6-4-13)21(19,20)15-9-12-8-10-1-2-11(12)7-10/h3-6,10-12,15H,1-2,7-9H2/t10-,11+,12+/m0/s1
SMILES: C[C@H](CCC(C(=C)C)OC(=O)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)C)C)C
InChI: InChI=1S/C34H54O4/c1-21(2)26(37-23(4)35)11-10-22(3)25-14-16-32(9)28-13-12-27-30(6,7)29(38-24(5)36)15-17-33(27)20-34(28,33)19-18-31(25,32)8/h22,25-29H,1,10-20H2,2-9H3/t22-,25-,26?,27+,28+,29+,31-,32+,33-,34+/m1/s1
SMILES: C=CCO[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C2=CC=CC=C2)OC(=N)C(Cl)(Cl)Cl)COC(=O)C3=CC=CC=C3
InChI: InChI=1S/C24H22Cl3NO7/c1-2-13-31-18-17(14-32-20(29)15-9-5-3-6-10-15)33-22(35-23(28)24(25,26)27)19(18)34-21(30)16-11-7-4-8-12-16/h2-12,17-19,22,28H,1,13-14H2/t17-,18-,19-,22+/m1/s1
SMILES: CCCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=C(C=C5)O)OC
InChI: InChI=1S/C27H25N3O8/c1-3-13-37-20-10-8-17(9-11-20)28-26(32)23-24(16-7-12-21(31)22(14-16)36-2)29(38-25(23)27(28)33)18-5-4-6-19(15-18)30(34)35/h4-12,14-15,23-25,31H,3,13H2,1-2H3/t23-,24-,25-/m0/s1
SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3O)C4=C(C5=C(C=C4C)C(=O)C6=C(C5=O)C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O
InChI: InChI=1S/C36H28O13/c1-12-8-17-23(19(38)9-12)32(44)25-16(28(17)40)7-6-15(29(25)41)22-13(2)10-18-26(31(22)43)33(45)24-14(27(18)39)4-3-5-20(24)48-36-35(47)34(46)30(42)21(11-37)49-36/h3-10,21,30,34-38,41-43,46-47H,11H2,1-2H3/t21-,30-,34+,35-,36-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4
InChI: InChI=1S/C23H25N3O4/c1-16-7-5-6-14-23(16)21(28)26(22(29)25-23)15-20(27)24-17-10-12-19(13-11-17)30-18-8-3-2-4-9-18/h2-4,8-13,16H,5-7,14-15H2,1H3,(H,24,27)(H,25,29)/t16-,23+/m1/s1
SMILES: CC(C)CC1(OC[C@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC4(O3)CCCCC4)O)CC(C)C
InChI: InChI=1S/C21H36O6/c1-13(2)10-21(11-14(3)4)23-12-15(25-21)17-16(22)18-19(24-17)27-20(26-18)8-6-5-7-9-20/h13-19,22H,5-12H2,1-4H3/t15-,16-,17+,18+,19+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@](O1)(C(=O)O)N=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H19N3O11/c1-6(19)25-5-10-11(26-7(2)20)12(27-8(3)21)13(28-9(4)22)15(29-10,14(23)24)17-18-16/h10-13H,5H2,1-4H3,(H,23,24)/t10-,11+,12+,13-,15+/m1/s1
SMILES: CCC(C1=CC=CC=C1)O[C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)OC)N3C
InChI: InChI=1S/C19H27NO3/c1-4-16(13-8-6-5-7-9-13)23-17-12-14-10-11-15(20(14)2)18(17)19(21)22-3/h5-9,14-18H,4,10-12H2,1-3H3/t14-,15+,16?,17+,18-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1S/C19H24Cl2N2O4/c1-11-5-3-4-6-16(11)23-18(25)12(2)27-17(24)10-22-19(26)13-7-8-14(20)15(21)9-13/h7-9,11-12,16H,3-6,10H2,1-2H3,(H,22,26)(H,23,25)/t11-,12+,16-/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCN3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C18H16N2O4/c21-15-11-5-1-2-6-12(11)16(22)19(15)9-10-20-17(23)13-7-3-4-8-14(13)18(20)24/h1-6,13-14H,7-10H2/t13-,14-/m1/s1
SMILES: C[C@@H](C(=O)N[C@H]1[C@H](SC2=C(C=C(C=C2)Cl)N(C1=O)C)C3=CC=CC=C3)NC(=O)CC4=CC(=CC(=C4)F)F
InChI: InChI=1S/C27H24ClF2N3O3S/c1-15(31-23(34)12-16-10-19(29)14-20(30)11-16)26(35)32-24-25(17-6-4-3-5-7-17)37-22-9-8-18(28)13-21(22)33(2)27(24)36/h3-11,13-15,24-25H,12H2,1-2H3,(H,31,34)(H,32,35)/t15-,24-,25+/m0/s1
SMILES: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
InChI: InChI=1S/C17H18N2O6S/c1-9(20)19-26(24,25)13-6-4-12(5-7-13)18-16(21)14-10-2-3-11(8-10)15(14)17(22)23/h2-7,10-11,14-15H,8H2,1H3,(H,18,21)(H,19,20)(H,22,23)/p-1/t10-,11+,14+,15+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC[C@@H](C[NH+]2CCOCC2)O)C(C)C
InChI: InChI=1S/C17H33NO3/c1-13(2)16-5-4-14(3)10-17(16)21-12-15(19)11-18-6-8-20-9-7-18/h13-17,19H,4-12H2,1-3H3/p+1/t14-,15+,16+,17+/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)NCC5=CC=CC=C5)CSC6=NN=NN6C7=CC=C(C=C7)O
InChI: InChI=1S/C41H40N6O5S/c1-27-37(26-53-41-44-45-46-47(41)35-18-20-36(49)21-19-35)51-39(52-38(27)32-12-10-29(25-48)11-13-32)33-16-14-31(15-17-33)34-9-5-8-30(22-34)24-43-40(50)42-23-28-6-3-2-4-7-28/h2-22,27,37-39,48-49H,23-26H2,1H3,(H2,42,43,50)/t27-,37+,38+,39+/m1/s1
SMILES: CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CN2CCC[C@@H]3[C@@H]2CCCC3)N
InChI: InChI=1S/C21H35N5O3/c1-3-5-13-26-19(22)18(20(28)23-21(26)29)25(4-2)17(27)14-24-12-8-10-15-9-6-7-11-16(15)24/h15-16H,3-14,22H2,1-2H3,(H,23,28,29)/t15-,16+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)[C@@H](C)OC2=CC=C(C=C2)C#N
InChI: InChI=1S/C21H28N2O4/c1-13-6-5-7-19(14(13)2)23-20(24)15(3)27-21(25)16(4)26-18-10-8-17(12-22)9-11-18/h8-11,13-16,19H,5-7H2,1-4H3,(H,23,24)/t13-,14-,15-,16-,19+/m1/s1
SMILES: C1C[C@@H]2CN(C[C@]3([C@@H]2C[C@@H]1N(C3)C(=O)OCC4=CC=CC=C4)COCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C34H38N2O5/c37-32(40-21-27-12-6-2-7-13-27)35-19-29-16-17-30-18-31(29)34(23-35,25-39-20-26-10-4-1-5-11-26)24-36(30)33(38)41-22-28-14-8-3-9-15-28/h1-15,29-31H,16-25H2/t29-,30-,31-,34-/m1/s1
SMILES: C[S+](CCC(C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1
SMILES: CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H](C[C@H](O3)CO)F
InChI: InChI=1S/C12H16FN5O2/c1-2-14-10-9-11(16-5-15-10)18(6-17-9)12-8(13)3-7(4-19)20-12/h5-8,12,19H,2-4H2,1H3,(H,14,15,16)/t7-,8-,12+/m0/s1
SMILES: CC1=CC=C(C=C1)S[C@H]2[C@@H](C3C([C@H](O2)COC(=O)C(C)(C)C)OC(O3)(C)C)OP(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C33H39O6PS/c1-22-17-19-25(20-18-22)41-30-29(39-40(23-13-9-7-10-14-23)24-15-11-8-12-16-24)28-27(37-33(5,6)38-28)26(36-30)21-35-31(34)32(2,3)4/h7-20,26-30H,21H2,1-6H3/t26-,27?,28?,29-,30+/m1/s1
SMILES: C=C(C=CC1=CC=CC=C1)NNC(=O)[C@@H]2C[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C20H20N2O/c1-15(12-13-16-8-4-2-5-9-16)21-22-20(23)19-14-18(19)17-10-6-3-7-11-17/h2-13,18-19,21H,1,14H2,(H,22,23)/t18-,19+/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C(=CC(=C5)Br)OC)O)C)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C30H27BrClFN2O6/c1-4-34-26(37)16-7-6-15-17(23(16)28(34)39)12-19-27(38)35(14-5-8-21(33)20(32)11-14)29(40)30(19,2)24(15)18-9-13(31)10-22(41-3)25(18)36/h5-6,8-11,16-17,19,23-24,36H,4,7,12H2,1-3H3/t16-,17+,19-,23-,24+,30+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=C(C=C7OC)O)OC)C(=O)N(C5=O)C(=O)N
InChI: InChI=1S/C36H34N4O8/c1-18-9-11-20(12-10-18)38-40-32(43)25-17-24-22(13-14-23-28(24)33(44)39(31(23)42)35(37)46)30(29-26(47-2)15-21(41)16-27(29)48-3)36(25,34(40)45)19-7-5-4-6-8-19/h4-13,15-16,23-25,28,30,38,41H,14,17H2,1-3H3,(H2,37,46)/t23-,24+,25-,28-,30+,36+/m0/s1
SMILES: COC1=C(C=C(C=C1)C(=O)O[C@H]2[C@@H]3C=CO[C@@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI: InChI=1S/C23H28O13/c1-31-12-3-2-9(6-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15-,16+,17-,18+,19+,21-,22+,23-/m1/s1
SMILES: COC(=O)C1=C2[C@H]3C=CC[C@H]3[C@@H](NC2=C(C=C1)Cl)C4=CC=CC=C4C(F)(F)F
InChI: InChI=1S/C21H17ClF3NO2/c1-28-20(27)14-9-10-16(22)19-17(14)11-6-4-7-12(11)18(26-19)13-5-2-3-8-15(13)21(23,24)25/h2-6,8-12,18,26H,7H2,1H3/t11-,12+,18+/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)CN5C(=O)C6=CC=CC=C6C5=O)CSC7=NC=CN7C
InChI: InChI=1S/C38H35N3O5S/c1-24-33(23-47-38-39-18-19-40(38)2)45-37(46-34(24)28-12-10-25(22-42)11-13-28)29-16-14-27(15-17-29)30-7-5-6-26(20-30)21-41-35(43)31-8-3-4-9-32(31)36(41)44/h3-20,24,33-34,37,42H,21-23H2,1-2H3/t24-,33+,34+,37+/m0/s1
SMILES: CC\1=CC[C@H](C/C1=N/NC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3)C(=C)C
InChI: InChI=1S/C20H24N2O/c1-13(2)16-10-9-14(3)19(11-16)21-22-20(23)18-12-17(18)15-7-5-4-6-8-15/h4-9,16-18H,1,10-12H2,2-3H3,(H,22,23)/b21-19-/t16-,17-,18+/m1/s1
SMILES: CC1=CC2=C(C=C1OC)C([C@@H]3CCCC([C@@H]3CC2=O)(C)C)OC(=O)C
InChI: InChI=1S/C21H28O4/c1-12-9-15-16(10-19(12)24-5)20(25-13(2)22)14-7-6-8-21(3,4)17(14)11-18(15)23/h9-10,14,17,20H,6-8,11H2,1-5H3/t14-,17-,20?/m1/s1
SMILES: C[C@@]1(CC(=O)[C@@H]([C@@H]([C@H]1C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)O
InChI: InChI=1S/C17H19NO8/c1-17(22)8-11(19)13(15(20)25-2)12(14(17)16(21)26-3)9-4-6-10(7-5-9)18(23)24/h4-7,12-14,22H,8H2,1-3H3/t12-,13-,14-,17-/m0/s1
SMILES: C1C[C@H]([C@@H]1C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O
InChI: InChI=1S/C14H11F6NO3/c15-13(16,17)6-3-7(14(18,19)20)5-8(4-6)21-11(22)9-1-2-10(9)12(23)24/h3-5,9-10H,1-2H2,(H,21,22)(H,23,24)/t9-,10-/m1/s1
SMILES: COC(=O)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=CC=C(C6=CC=CC=C56)O)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C28H20BrNO7/c1-37-28(36)30-26(34)16-7-6-15-17(23(16)27(30)35)10-18-24(21(32)11-19(29)25(18)33)22(15)14-8-9-20(31)13-5-3-2-4-12(13)14/h2-6,8-9,11,16-17,22-23,31H,7,10H2,1H3/t16-,17+,22-,23-/m0/s1
SMILES: C1[C@H]2[C@@H](N1C(=O)OCC3=CC=CC=C3)[C@H]([C@@H]2Br)Br
InChI: InChI=1S/C13H13Br2NO2/c14-10-9-6-16(12(9)11(10)15)13(17)18-7-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-,11+,12-/m1/s1
SMILES: C[C@@H]1CN([C@H]2C[C@@H](C[C@@]1(C2)C3=CC(=CC=C3)O)NC(=O)CCN4CCC5=C(C4)C=CC=C5O)CCCC6=CC=CC=C6
InChI: InChI=1S/C36H45N3O3/c1-26-24-39(17-7-10-27-8-3-2-4-9-27)31-21-30(22-36(26,23-31)29-12-6-13-32(40)20-29)37-35(42)16-19-38-18-15-33-28(25-38)11-5-14-34(33)41/h2-6,8-9,11-14,20,26,30-31,40-41H,7,10,15-19,21-25H2,1H3,(H,37,42)/t26-,30+,31+,36+/m1/s1
SMILES: CC1=CC=C(C=C1)C[NH+]2CC[C@@]3(CCCC[C@@H]3[C@H]2C4=CC(=C(C=C4)O)OC)O
InChI: InChI=1S/C24H31NO3/c1-17-6-8-18(9-7-17)16-25-14-13-24(27)12-4-3-5-20(24)23(25)19-10-11-21(26)22(15-19)28-2/h6-11,15,20,23,26-27H,3-5,12-14,16H2,1-2H3/p+1/t20-,23-,24-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)S)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C12H18O7S/c1-5-9(17-6(2)13)10(18-7(3)14)11(12(20)16-5)19-8(4)15/h5,9-12,20H,1-4H3/t5-,9+,10+,11-,12-/m0/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC(=CC=C5)I)C(=O)NCCC(=O)NCCO)CCCCC
InChI: InChI=1S/C32H46IN3O8/c1-3-5-7-13-31(14-8-6-4-2)42-25-23-19-32(30(40)35-15-12-24(38)34-16-17-37)27(29(39)41-23)36(44-28(32)26(25)43-31)20-21-10-9-11-22(33)18-21/h9-11,18,23,25-28,37H,3-8,12-17,19-20H2,1-2H3,(H,34,38)(H,35,40)/t23-,25+,26+,27+,28-,32+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN2C(=O)C(=O)N(C2=O)C3CCCC3
InChI: InChI=1S/C17H25N3O4/c1-11-6-2-5-9-13(11)18-14(21)10-19-15(22)16(23)20(17(19)24)12-7-3-4-8-12/h11-13H,2-10H2,1H3,(H,18,21)/t11-,13-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)[C@@H]([C@H]1/C=C/[C@H](CC2=CC(=CC=C2)COC)O[Si](C)(C)C(C)(C)C)CCSCCCC(=O)OC
InChI: InChI=1S/C36H62O6SSi2/c1-35(2,3)44(9,10)41-29(24-27-15-13-16-28(23-27)26-39-7)18-19-31-30(20-22-43-21-14-17-34(38)40-8)32(37)25-33(31)42-45(11,12)36(4,5)6/h13,15-16,18-19,23,29-31,33H,14,17,20-22,24-26H2,1-12H3/b19-18+/t29-,30-,31-,33-/m1/s1
SMILES: CC[C@H]1[C@@H](O1)CCCC#C[CH2-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[W+2]
InChI: InChI=1S/C10H15O.C5H5.3CO.W/c1-3-5-6-7-8-10-9(4-2)11-10;1-2-4-5-3-1;3*1-2;/h9-10H,1,4,6-8H2,2H3;1-5H;;;;/q-1;;;;;+2/t9-,10-;;;;;/m0...../s1
SMILES: CC1=CC=CC=C1NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3[NH2+]2
InChI: InChI=1S/C17H23N3O2/c1-11-6-2-3-7-12(11)19-16(21)10-15-17(22)20-14-9-5-4-8-13(14)18-15/h2-3,6-7,13-15,18H,4-5,8-10H2,1H3,(H,19,21)(H,20,22)/p+1/t13-,14-,15-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OC3=CC=C(C=C3)Br)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C40H39BrO6/c41-34-21-23-35(24-22-34)46-40-39(45-28-33-19-11-4-12-20-33)38(44-27-32-17-9-3-10-18-32)37(43-26-31-15-7-2-8-16-31)36(47-40)29-42-25-30-13-5-1-6-14-30/h1-24,36-40H,25-29H2/t36-,37-,38+,39+,40+/m1/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C
InChI: InChI=1S/C16H19NO3/c1-10-7-8-14(11(2)9-10)17-15(18)12-5-3-4-6-13(12)16(19)20/h3-4,7-9,12-13H,5-6H2,1-2H3,(H,17,18)(H,19,20)/p-1/t12-,13+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)C2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)CC5=CC=CS5
InChI: InChI=1S/C21H24N6O3S/c1-26(2)14-7-5-13(6-8-14)21-23-24-25-27(21)17-12-30-19-16(11-29-20(17)19)22-18(28)10-15-4-3-9-31-15/h3-9,16-17,19-20H,10-12H2,1-2H3,(H,22,28)/t16-,17-,19+,20+/m0/s1
SMILES: CC[C@@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@H]3O)C)C4=C1C=C(C=C4)O
InChI: InChI=1S/C20H28O2/c1-3-12-10-17-15(14-5-4-13(21)11-16(12)14)8-9-20(2)18(17)6-7-19(20)22/h4-5,11-12,15,17-19,21-22H,3,6-10H2,1-2H3/t12-,15-,17-,18+,19+,20+/m1/s1
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(C5)OS(=O)(=O)C7=CC=C(C=C7)C)CCCOS(=O)(=O)C8=CC=C(C=C8)C)C)C)CC)C
InChI: InChI=1S/C47H52N4O6S2/c1-9-34-28(5)38-23-40-30(7)36(12-11-21-56-58(52,53)32-17-13-26(3)14-18-32)46(50-40)37-22-44(57-59(54,55)33-19-15-27(4)16-20-33)45-31(8)41(51-47(37)45)25-43-35(10-2)29(6)39(49-43)24-42(34)48-38/h13-20,23-25,30,36,44,48-49H,9-12,21-22H2,1-8H3/t30-,36-,44?/m0/s1
SMILES: C[C@]12C(CC([C@]1(C(CC2(C#N)O[Si](C)(C)C)C3=CC=CC=C3)C)(C#N)O[Si](C)(C)C)C4=CC=CC=C4
InChI: InChI=1S/C30H40N2O2Si2/c1-27-25(23-15-11-9-12-16-23)19-30(22-32,34-36(6,7)8)28(27,2)26(24-17-13-10-14-18-24)20-29(27,21-31)33-35(3,4)5/h9-18,25-26H,19-20H2,1-8H3/t25?,26?,27-,28-,29?,30?/m0/s1
SMILES: COC1=C(C=CC(=C1)NC2=NC=NN3C2=C(C=C3)CN4CC[C@H]([C@@H](C4)O)N)F
InChI: InChI=1S/C19H23FN6O2/c1-28-17-8-13(2-3-14(17)20)24-19-18-12(4-7-26(18)23-11-22-19)9-25-6-5-15(21)16(27)10-25/h2-4,7-8,11,15-16,27H,5-6,9-10,21H2,1H3,(H,22,23,24)/t15-,16-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1OCC2=CC=CC=C2)CO)O)OC(=O)C
InChI: InChI=1S/C17H23NO7/c1-10(20)18-14-16(24-11(2)21)15(22)13(8-19)25-17(14)23-9-12-6-4-3-5-7-12/h3-7,13-17,19,22H,8-9H2,1-2H3,(H,18,20)/t13-,14+,15+,16+,17+/m0/s1
SMILES: CCC1C(CC(CCC(=O)C(CC(C(C(C(CC(=O)O1)OS(=O)(=O)C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)OC(=O)C)N(C)C)OC(=O)C)CC(OC)OC)C)C)CO[C@H]3[C@H]([C@@H]([C@@H]([C@H](O3)C)OC)OC)OC
InChI: InChI=1S/C47H83NO19S/c1-17-35-33(24-60-46-45(59-15)44(58-14)42(57-13)29(6)61-46)20-25(2)18-19-34(51)26(3)21-32(22-38(55-11)56-12)40(27(4)36(23-37(52)65-35)67-68(16,53)54)66-47-43(64-31(8)50)39(48(9)10)41(28(5)62-47)63-30(7)49/h25-29,32-33,35-36,38-47H,17-24H2,1-16H3/t25?,26?,27?,28-,29-,32?,33?,35?,36?,39+,40?,41-,42-,43-,44-,45+,46-,47+/m1/s1
SMILES: C[C@@H]1[C@@H](OC2=C1C=CC=C2C(=O)NCC3=C(N(N=C3C)CC4=CC=CC=C4)C)C
InChI: InChI=1S/C24H27N3O2/c1-15-18(4)29-23-20(15)11-8-12-21(23)24(28)25-13-22-16(2)26-27(17(22)3)14-19-9-6-5-7-10-19/h5-12,15,18H,13-14H2,1-4H3,(H,25,28)/t15-,18+/m1/s1
SMILES: C1[C@H]([C@@H](OC1=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C18H14O5/c19-16-9-13(17(20)11-4-2-1-3-5-11)18(23-16)12-6-7-14-15(8-12)22-10-21-14/h1-8,13,18H,9-10H2/t13-,18-/m0/s1
SMILES: C[C@@H]1[C@@H](OC(O[C@H]1[C@@H](C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)(C)C)CCO
InChI: InChI=1S/C28H42O4Si/c1-21(26-22(2)25(18-19-29)31-28(6,7)32-26)20-30-33(27(3,4)5,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,25-26,29H,18-20H2,1-7H3/t21-,22+,25-,26-/m0/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NC6=C(C=C(C=C6)OC)OC)OCC=C)CCCCO)CCCCO)C(=O)C7=CC8=C(C=C7)OCO8
InChI: InChI=1S/C52H59N3O12/c1-5-25-64-52-47(55(2)50(58)35-17-21-44-46(27-35)63-32-62-44)30-42(54-65-31-33-13-7-6-8-14-33)39-26-34(15-9-11-23-56)38(16-10-12-24-57)48(49(39)52)40-28-37(19-22-43(40)67-52)66-51(59)53-41-20-18-36(60-3)29-45(41)61-4/h5-8,13-14,17-22,26-29,34,38,47-49,56-57H,1,9-12,15-16,23-25,30-32H2,2-4H3,(H,53,59)/t34-,38+,47-,48+,49+,52+/m0/s1
SMILES: CC(=C)C[C@@H]1[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C(=O)N1CCC4=CC(=C(C=C4)OC)OC)C(=O)[O-]
InChI: InChI=1S/C23H27NO6/c1-13(2)11-18-23-9-7-16(30-23)19(22(26)27)20(23)21(25)24(18)10-8-14-5-6-15(28-3)17(12-14)29-4/h5-7,9,12,16,18-20H,1,8,10-11H2,2-4H3,(H,26,27)/p-1/t16-,18-,19-,20-,23-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OCCCCC(CSCCO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N)O)O
InChI: InChI=1S/C21H41NO12S/c1-30-20-18(29)16(27)19(13(9-24)34-20)31-5-3-2-4-11(22)10-35-7-6-32-21-17(28)15(26)14(25)12(8-23)33-21/h11-21,23-29H,2-10,22H2,1H3/t11?,12-,13-,14-,15+,16-,17-,18-,19-,20+,21+/m1/s1
SMILES: C1[C@@H]2[C@@H](CN1CC3=CC=CC=C3)C(=O)NC4=C2C=CC=C4C(F)(F)F
InChI: InChI=1S/C19H17F3N2O/c20-19(21,22)16-8-4-7-13-14-10-24(9-12-5-2-1-3-6-12)11-15(14)18(25)23-17(13)16/h1-8,14-15H,9-11H2,(H,23,25)/t14-,15+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)SC3=CC=C(C=C3)F)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C32H39FO17S/c1-14(34)41-12-23-25(43-16(3)36)27(44-17(4)37)29(46-19(6)39)31(48-23)50-26-24(13-42-15(2)35)49-32(51-22-10-8-21(33)9-11-22)30(47-20(7)40)28(26)45-18(5)38/h8-11,23-32H,12-13H2,1-7H3/t23-,24-,25-,26-,27+,28+,29-,30-,31-,32+/m1/s1
SMILES: C[C@]1([C@@](O[C@H]2[C@H](O1)[C@H](O[C@@H]([C@H]2OCC3=CC=CC=C3)SC4=CC=CC=C4OC)CO)(C)OC)OC
InChI: InChI=1S/C26H34O8S/c1-25(29-4)26(2,30-5)34-22-21(33-25)19(15-27)32-24(35-20-14-10-9-13-18(20)28-3)23(22)31-16-17-11-7-6-8-12-17/h6-14,19,21-24,27H,15-16H2,1-5H3/t19-,21-,22+,23+,24-,25+,26+/m1/s1
SMILES: COCCCN(CC(=O)NC1=NC=CS1)C(=O)[C@@H]2C[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C19H23N3O3S/c1-25-10-5-9-22(13-17(23)21-19-20-8-11-26-19)18(24)16-12-15(16)14-6-3-2-4-7-14/h2-4,6-8,11,15-16H,5,9-10,12-13H2,1H3,(H,20,21,23)/t15-,16+/m0/s1
SMILES: C[C@H]1[C@@H](OC2=C1C=C(C=C2)OC)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C18H20O4/c1-11-14-10-13(19-2)6-8-15(14)22-18(11)12-5-7-16(20-3)17(9-12)21-4/h5-11,18H,1-4H3/t11-,18-/m1/s1
SMILES: C[C@H]1CC[C@]2([C@@H]1[C@@H]3CC[C@]4(CCCC[C@@]4([C@@H]3CC2)C)C#N)C
InChI: InChI=1S/C21H33N/c1-15-6-11-19(2)12-8-17-16(18(15)19)7-13-21(14-22)10-5-4-9-20(17,21)3/h15-18H,4-13H2,1-3H3/t15-,16+,17+,18-,19+,20+,21+/m0/s1
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)[C@H]([C@@H]([C@@H]([C@H]4O)O)O)O
InChI: InChI=1S/C18H16O4/c19-15-13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14(13)16(20)18(22)17(15)21/h1-8,15-22H/t15-,16+,17+,18-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl
InChI: InChI=1S/C20H24ClN3O3/c1-13-8-6-7-11-16(13)22-17(25)12-27-20(26)18-14(2)23-24(19(18)21)15-9-4-3-5-10-15/h3-5,9-10,13,16H,6-8,11-12H2,1-2H3,(H,22,25)/t13-,16-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C18H25ClN2O/c1-14-5-2-3-8-17(14)20-9-11-21(12-10-20)18(22)15-6-4-7-16(19)13-15/h4,6-7,13-14,17H,2-3,5,8-12H2,1H3/p+1/t14-,17-/m0/s1
SMILES: CCCCC(=O)O[C@@H]1CC2=C[C@@H](C3C4CC[C@@H]([C@]4(CCC3[C@]2(CO1)C)C)OC(=O)CC)O
InChI: InChI=1S/C26H40O6/c1-5-7-8-22(29)32-23-14-16-13-19(27)24-17-9-10-20(31-21(28)6-2)25(17,3)12-11-18(24)26(16,4)15-30-23/h13,17-20,23-24,27H,5-12,14-15H2,1-4H3/t17?,18?,19-,20-,23+,24?,25-,26-/m0/s1
SMILES: C[C@H](CCC(=O)NNC(=S)NCC1=C2C=CC=CC2=CC3=CC=CC=C31)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)O)C
InChI: InChI=1S/C40H53N3O4S/c1-23(31-13-14-32-37-33(21-35(46)40(31,32)3)39(2)17-16-27(44)19-26(39)20-34(37)45)12-15-36(47)42-43-38(48)41-22-30-28-10-6-4-8-24(28)18-25-9-5-7-11-29(25)30/h4-11,18,23,26-27,31-35,37,44-46H,12-17,19-22H2,1-3H3,(H,42,47)(H2,41,43,48)/t23-,26+,27-,31-,32+,33+,34-,35+,37+,39+,40-/m1/s1
SMILES: B1(O[C@H]([C@@H](O1)C(=O)OC(C)C)C(=O)OC(C)C)OC(CN(C)C)CN(C)C
InChI: InChI=1S/C17H33BN2O7/c1-11(2)23-16(21)14-15(17(22)24-12(3)4)27-18(26-14)25-13(9-19(5)6)10-20(7)8/h11-15H,9-10H2,1-8H3/t14-,15-/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C=C(C=C5)O)OC)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C26H24BrNO6/c1-3-8-28-25(32)15-7-6-13-16(22(15)26(28)33)10-17-23(19(30)11-18(27)24(17)31)21(13)14-5-4-12(29)9-20(14)34-2/h4-6,9,11,15-16,21-22,29H,3,7-8,10H2,1-2H3/t15-,16+,21+,22-/m0/s1