EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)N1C(CC(C1=O)(C)O)CC(C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C/C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C30H47NO4/c1-18(2)31-23(17-30(6,35)28(31)34)14-19(3)25-11-12-26-21(8-7-13-29(25,26)5)9-10-22-15-24(32)16-27(33)20(22)4/h9-10,18-19,23-27,32-33,35H,4,7-8,11-17H2,1-3,5-6H3/b21-9-,22-10+/t19?,23?,24-,25-,26+,27+,29-,30?/m1/s1
SMILES: C[C@@]1(CC(=O)[C@]23[C@]4([C@H](CCC([C@@H]4[C@@H]([C@@H]([C@]2(O1)C)OC(=O)NCCN(C)C)O)(C)C)OC(O3)N(C)C)C)C=C
InChI: InChI=1S/C28H47N3O7/c1-11-25(4)16-17(32)28-26(5)18(35-23(37-28)31(9)10)12-13-24(2,3)20(26)19(33)21(27(28,6)38-25)36-22(34)29-14-15-30(7)8/h11,18-21,23,33H,1,12-16H2,2-10H3,(H,29,34)/t18-,19-,20-,21-,23?,25-,26-,27+,28-/m0/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=CC(=C5)[N+](=O)[O-])CCCCO)CCCCO)OCC=C)N(C)C(=O)C=CC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C45H52N4O11/c1-4-25-57-45-41(47(3)42(52)22-17-30-15-18-32(19-16-30)48(53)54)29-39(46-58-5-2)37-26-31(11-6-8-23-50)36(14-7-9-24-51)43(44(37)45)38-28-35(20-21-40(38)60-45)59-34-13-10-12-33(27-34)49(55)56/h4,10,12-13,15-22,26-28,31,36,41,43-44,50-51H,1,5-9,11,14,23-25,29H2,2-3H3/t31-,36+,41-,43+,44+,45+/m0/s1
SMILES: C1CN(CCC1N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=CC(=C6)Cl)O)C7=CC=CC=C7)C8=CC=CC=C8)CC9=CC=CC=C9
InChI: InChI=1S/C46H41ClN2O5/c47-31-16-19-39(50)37(24-31)42-33-17-18-34-41(45(54)49(44(34)53)32-20-22-48(23-21-32)27-28-10-4-1-5-11-28)36(33)25-38-43(52)35(29-12-6-2-7-13-29)26-40(51)46(38,42)30-14-8-3-9-15-30/h1-17,19,24,26,32,34,36,38,41-42,50H,18,20-23,25,27H2/t34-,36+,38-,41-,42+,46-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@](C)([C@H]([C@@H]2[C@H](OC(O2)(C)C)CO)O)C(=O)OC(C)(C)C
InChI: InChI=1S/C21H33NO8S/c1-13-8-10-14(11-9-13)31(26,27)22-21(7,18(25)30-19(2,3)4)17(24)16-15(12-23)28-20(5,6)29-16/h8-11,15-17,22-24H,12H2,1-7H3/t15-,16+,17+,21+/m1/s1
SMILES: CC(C)[C@@H]1CCC2(C1[C@H]3CCC4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6)C)C(=O)O
InChI: InChI=1S/C37H54O4/c1-23(2)25-15-20-37(32(39)40)22-21-35(6)26(30(25)37)13-14-28-34(5)18-17-29(41-31(38)24-11-9-8-10-12-24)33(3,4)27(34)16-19-36(28,35)7/h8-12,23,25-30H,13-22H2,1-7H3,(H,39,40)/t25-,26+,27-,28?,29-,30?,34-,35+,36+,37?/m0/s1
SMILES: C1C[C@H](C2=CC=CC=C2C1)N(C[C@H]3C[C@H]4C[C@H]3C=C4)C(=O)COC5=CC=CC=C5
InChI: InChI=1S/C26H29NO2/c28-26(18-29-23-9-2-1-3-10-23)27(17-22-16-19-13-14-21(22)15-19)25-12-6-8-20-7-4-5-11-24(20)25/h1-5,7,9-11,13-14,19,21-22,25H,6,8,12,15-18H2/t19-,21-,22-,25-/m1/s1
SMILES: C1C[C@H]2CC3=C(C[C@@H]1[C@H](N2)C4=CC(=CC=C4)Br)C=CC=C3N
InChI: InChI=1S/C19H21BrN2/c20-15-5-1-4-13(10-15)19-14-7-8-16(22-19)11-17-12(9-14)3-2-6-18(17)21/h1-6,10,14,16,19,22H,7-9,11,21H2/t14-,16+,19-/m1/s1
SMILES: C1CN(CCC1N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC(=CC=C8)Cl)CC9=CC=CC=C9
InChI: InChI=1S/C46H44ClN3O6/c47-32-12-7-13-34(26-32)50-43(53)39-27-38-36(41(30-14-16-35(17-15-30)56-25-24-51)46(39,45(50)55)31-10-5-2-6-11-31)18-19-37-40(38)44(54)49(42(37)52)33-20-22-48(23-21-33)28-29-8-3-1-4-9-29/h1-18,26,33,37-41,51H,19-25,27-28H2/t37-,38+,39-,40-,41-,46+/m0/s1
SMILES: CC1=C[C@@H]([C@@H]([C@H]1CC(C#C[Si](C)(C)C)O)OCC2=CC=C(C=C2)OC)CC(C)(C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H54O4Si2/c1-24-19-26(21-32(5,6)23-36-38(11,12)31(2,3)4)30(29(24)20-27(33)17-18-37(8,9)10)35-22-25-13-15-28(34-7)16-14-25/h13-16,19,26-27,29-30,33H,20-23H2,1-12H3/t26-,27?,29+,30+/m1/s1
SMILES: CC(=O)O[C@H]1C[C@]2([C@@H]3CC[C@@H]4[C@@]5([C@]3(C5)C[C@H]([C@@]2([C@H]1[C@]6(CC[C@@H](O6)C(C)(C)O)C)C)O)CC[C@@H](C4(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)C
InChI: InChI=1S/C37H60O10/c1-19(38)45-21-15-33(6)23-10-9-22-31(2,3)25(46-30-28(42)27(41)20(39)17-44-30)12-14-36(22)18-37(23,36)16-24(40)35(33,8)29(21)34(7)13-11-26(47-34)32(4,5)43/h20-30,39-43H,9-18H2,1-8H3/t20-,21+,22+,23+,24-,25+,26-,27+,28-,29-,30+,33+,34-,35-,36-,37+/m1/s1
SMILES: COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C[C@H]3C[C@H]4C[C@@H]3C=C4)OC
InChI: InChI=1S/C21H28N2O3/c1-25-19-6-5-17(13-20(19)26-2)21(24)23-9-7-22(8-10-23)14-18-12-15-3-4-16(18)11-15/h3-6,13,15-16,18H,7-12,14H2,1-2H3/t15-,16+,18-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]2(CCCO2)[C@]3(C1=O)CCCO3
InChI: InChI=1S/C18H32O4Si/c1-16(2,3)23(4,5)22-14-8-11-17(9-6-12-20-17)18(15(14)19)10-7-13-21-18/h14H,6-13H2,1-5H3/t14-,17+,18-/m1/s1
SMILES: C[C@@H]1C2=NC(=CS2)/C=C\C=C\[C@@H]([C@@H](/C=C(/CC/C(=C\C(=O)N1)/[C@](C)(C(=O)CBr)O)\C)OCOC)OCC3=CC=C(C=C3)OC
InChI: InChI=1S/C33H41BrN2O7S/c1-22-10-13-25(33(3,39)30(37)18-34)17-31(38)35-23(2)32-36-26(20-44-32)8-6-7-9-28(29(16-22)43-21-40-4)42-19-24-11-14-27(41-5)15-12-24/h6-9,11-12,14-17,20,23,28-29,39H,10,13,18-19,21H2,1-5H3,(H,35,38)/b8-6-,9-7+,22-16+,25-17+/t23-,28+,29-,33-/m1/s1
SMILES: C1[C@H]([C@H](O[C@H](O1)C(F)(F)F)C2=CC=CC=C2O)CC=CCCCC(=O)O
InChI: InChI=1S/C18H21F3O5/c19-18(20,21)17-25-11-12(7-3-1-2-4-10-15(23)24)16(26-17)13-8-5-6-9-14(13)22/h1,3,5-6,8-9,12,16-17,22H,2,4,7,10-11H2,(H,23,24)/t12-,16+,17+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)C(=O)C
InChI: InChI=1S/C20H23N3O5/c1-12-5-3-4-6-16(12)23-19(27)18(26)22(20(23)28)11-17(25)21-15-9-7-14(8-10-15)13(2)24/h7-10,12,16H,3-6,11H2,1-2H3,(H,21,25)/t12-,16+/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)C=CCC6=CC=CC=C6O)C(=O)N7CCC[C@@H]7C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C50H69N3O11/c1-6-8-12-26-49(27-13-9-7-2)62-41-39-30-50(47(59)52-28-16-22-37(52)45(57)51-36(32-54)24-25-40(56)61-48(3,4)5)43(46(58)60-39)53(64-44(50)42(41)63-49)31-34-19-14-17-33(29-34)18-15-21-35-20-10-11-23-38(35)55/h10-11,14-15,17-20,23,29,36-37,39,41-44,54-55H,6-9,12-13,16,21-22,24-28,30-32H2,1-5H3,(H,51,57)/t36-,37+,39+,41-,42-,43-,44+,50-/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N)O)O)O)NC(=O)C3=CC(=C(C=C3)F)Cl
InChI: InChI=1S/C23H25ClFN3O6/c24-14-9-13(6-7-15(14)25)21(32)27-17-10-23(34,11-18(29)19(17)30)22(33)28-16(20(26)31)8-12-4-2-1-3-5-12/h1-7,9,16-19,29-30,34H,8,10-11H2,(H2,26,31)(H,27,32)(H,28,33)/t16-,17+,18-,19-,23+/m1/s1
SMILES: C/C(=N/OC[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)O)O)/CCN3CCC4=NC(=C(C=C4C3)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C33H39N3O6/c1-21(35-39-20-27(37)30-29(38)31-32(40-30)42-33(2,3)41-31)14-16-36-17-15-26-24(19-36)18-25(22-10-6-4-7-11-22)28(34-26)23-12-8-5-9-13-23/h4-13,18,27,29-32,37-38H,14-17,19-20H2,1-3H3/b35-21-/t27-,29+,30-,31-,32-/m1/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)O)C)C(C)C
InChI: InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28-,29-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H](C(O[C@@H]1[C@@H](CO)NC(=O)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H25NO10/c1-11(23)28-17-16(31-19(30-13(3)25)18(17)29-12(2)24)15(9-22)21-20(26)27-10-14-7-5-4-6-8-14/h4-8,15-19,22H,9-10H2,1-3H3,(H,21,26)/t15-,16-,17-,18-,19?/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCC2=CC=C(C=C2)F)C3=CSC=C3)CCOCCOCCO
InChI: InChI=1S/C25H32FNO6S/c1-2-32-25-21(7-10-30-12-13-31-11-9-28)22(19-8-14-34-17-19)15-23(33-25)24(29)27-16-18-3-5-20(26)6-4-18/h3-6,8,14-15,17,21-22,25,28H,2,7,9-13,16H2,1H3,(H,27,29)/t21-,22-,25-/m0/s1
SMILES: CC(=O)O[C@@H]1CCN2[C@H]1[C@H]([C@@H]([C@H](C2)O)O)O
InChI: InChI=1S/C10H17NO5/c1-5(12)16-7-2-3-11-4-6(13)9(14)10(15)8(7)11/h6-10,13-15H,2-4H2,1H3/t6-,7+,8+,9+,10+/m0/s1
SMILES: CCCCCCC[C@H](CC(=O)O[C@H]1[C@@H]([C@H](O[13CH]([C@@H]1NC(=O)OCC(Cl)(Cl)Cl)OP2(=O)OCC3=CC=CC=C3CO2)COCC4=CC=CC=C4)OP5(=O)OCC6=CC=CC=C6CO5)OCC7=CC=CC=C7
InChI: InChI=1S/C49H58Cl3NO15P2/c1-2-3-4-5-12-25-41(59-28-36-19-10-7-11-20-36)26-43(54)66-46-44(53-48(55)60-34-49(50,51)52)47(68-70(57)63-31-39-23-15-16-24-40(39)32-64-70)65-42(33-58-27-35-17-8-6-9-18-35)45(46)67-69(56)61-29-37-21-13-14-22-38(37)30-62-69/h6-11,13-24,41-42,44-47H,2-5,12,25-34H2,1H3,(H,53,55)/t41-,42-,44-,45-,46-,47?/m1/s1/i47+1
SMILES: CC(=O)[C@]12[C@H](O1)C[C@@H]3[C@@]2(CC[C@@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C
InChI: InChI=1S/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3/t16-,17+,18+,19-,20+,21-,22-,23+/m0/s1
SMILES: CCC=CC(=O)N([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)CO)C(=O)NCCO)C4CCCC4
InChI: InChI=1S/C27H36N2O7/c1-3-4-9-22(32)29(17-7-5-6-8-17)20-14-19(27(34)28-10-11-30)23-18-12-16(15-31)13-21(35-2)25(18)36-26(23)24(20)33/h4,9,12-14,17,20,23-24,26,30-31,33H,3,5-8,10-11,15H2,1-2H3,(H,28,34)/t20-,23+,24+,26+/m1/s1
SMILES: CN1[C@H]([C@@H](N(C1/C=N/N(C)C)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H26N4/c1-22(2)21-15-18-23(3)19(16-11-7-5-8-12-16)20(24(18)4)17-13-9-6-10-14-17/h5-15,18-20H,1-4H3/b21-15+/t19-,20-/m0/s1
SMILES: C[C@@H]1C[C@H]1[C@H](C)C[C@H]([C@](CCl)([C@H]2CC[C@@H]3[C@@]2([C@@H](C[C@H]4[C@H]3CC[C@@H]5[C@@]4(CCC(C5)(OC)OC)C)O)C)O)O
InChI: InChI=1S/C31H53ClO5/c1-18-13-22(18)19(2)14-27(34)31(35,17-32)25-10-9-23-21-8-7-20-16-30(36-5,37-6)12-11-28(20,3)24(21)15-26(33)29(23,25)4/h18-27,33-35H,7-17H2,1-6H3/t18-,19-,20+,21+,22-,23+,24+,25+,26-,27-,28+,29+,31+/m1/s1
SMILES: C[C@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@H]4CNCC5=CC=CC=C5OC)C
InChI: InChI=1S/C23H31NO4/c1-14-7-6-10-22(2)11-18-19(20-23(14,22)28-20)16(21(25)27-18)13-24-12-15-8-4-5-9-17(15)26-3/h4-5,8-9,14,16,18-20,24H,6-7,10-13H2,1-3H3/t14-,16-,18+,19+,20-,22+,23-/m0/s1
SMILES: COC1=CC(=NC=C1)C(=O)N[C@H]2CCCC[C@@H]2NC(=O)C3=NC=CC(=C3)OC
InChI: InChI=1S/C20H24N4O4/c1-27-13-7-9-21-17(11-13)19(25)23-15-5-3-4-6-16(15)24-20(26)18-12-14(28-2)8-10-22-18/h7-12,15-16H,3-6H2,1-2H3,(H,23,25)(H,24,26)/t15-,16-/m0/s1
SMILES: C[C@@]12CC[C@H]3[C@@]([C@@H]1CC[C@@]4([C@H]2CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)(CC[C@@H](C3(C)C)O)C
InChI: InChI=1S/C30H52O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h20-24,31-32H,8-19H2,1-7H3/t20-,21+,22+,23+,24+,27+,28-,29-,30+/m1/s1
SMILES: C=C1[C@H]([C@@H](NC(=O)N1)C2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H14BrClN2O2/c1-10-15(17(23)12-4-8-14(20)9-5-12)16(22-18(24)21-10)11-2-6-13(19)7-3-11/h2-9,15-16H,1H2,(H2,21,22,24)/t15-,16+/m1/s1
SMILES: [2H]C(=C1[C@H]2C[C@]2(CN1S(=O)(=O)C3=CC=C(C=C3)C)C=C)[2H]
InChI: InChI=1S/C15H17NO2S/c1-4-15-9-14(15)12(3)16(10-15)19(17,18)13-7-5-11(2)6-8-13/h4-8,14H,1,3,9-10H2,2H3/t14-,15+/m1/s1/i3D2
SMILES: C1CCN(CC1)C[C@@H]2[C@@H]3CCCC=C3[C@H]4CCCC[C@@H]4O2
InChI: InChI=1S/C19H31NO/c1-6-12-20(13-7-1)14-19-17-10-3-2-8-15(17)16-9-4-5-11-18(16)21-19/h8,16-19H,1-7,9-14H2/t16-,17-,18+,19-/m1/s1
SMILES: CC1=C(C(=O)[C@]2([C@H](C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@]2(C1=O)C)C)C=CC5=CC(=C(C(=C5)OC)O)OC)C)C
InChI: InChI=1S/C29H33N3O7/c1-15-16(2)25(35)29(4)19(9-8-17-12-21(38-6)23(33)22(13-17)39-7)18-10-11-31-26(36)30(5)27(37)32(31)20(18)14-28(29,3)24(15)34/h8-10,12-13,19-20,33H,11,14H2,1-7H3/t19-,20+,28-,29+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1S)COCC2=CC=CC=C2)OC)OC(=O)C
InChI: InChI=1S/C18H24O7S/c1-11(19)23-15-16(24-12(2)20)18(21-3)25-14(17(15)26)10-22-9-13-7-5-4-6-8-13/h4-8,14-18,26H,9-10H2,1-3H3/t14-,15-,16-,17-,18+/m1/s1
SMILES: C/C/1=C\CC2=CC(=C(C/C(=C\CCC3=C[C@@H](C1)[C@@]4(C/C=C/C(=C)CC/C=C(\CC5=C(C=C(C[C@@H]4C3)C(=C5)O)OC)/C)C=O)/C)C=C2O)OC
InChI: InChI=1S/C44H54O5/c1-29-10-7-11-30(2)18-37-25-41(47)35(27-43(37)49-6)23-39-22-33-14-8-12-31(3)19-36-24-40(46)34(26-42(36)48-5)16-15-32(4)20-38(21-33)44(39,28-45)17-9-13-29/h9,11-13,15,21,24-28,38-39,46-47H,1,7-8,10,14,16-20,22-23H2,2-6H3/b13-9+,30-11-,31-12-,32-15+/t38-,39+,44-/m1/s1
SMILES: CCCCC(=O)N(CCCOC(C)C)[C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C28H43IN2O8/c1-5-6-8-25(34)31(10-7-12-38-18(2)3)22-15-20(28(36)30-9-11-32)16-23(26(22)35)39-27-21(29)13-19(17-33)14-24(27)37-4/h13-14,16,18,22-23,26,32-33,35H,5-12,15,17H2,1-4H3,(H,30,36)/t22-,23+,26+/m1/s1
SMILES: CCOC(C1=CC=CC=C1)N2[C@@H]([C@H](C2=O)[C@@H](C)O)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C21H23NO4/c1-3-26-21(16-12-8-5-9-13-16)22-18(17(14(2)23)20(22)25)19(24)15-10-6-4-7-11-15/h4-14,17-18,21,23H,3H2,1-2H3/t14-,17-,18+,21?/m1/s1
SMILES: CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)C
InChI: InChI=1S/C23H25NO6/c1-13-7-8-16-15(11-20(26)30-21(16)14(13)2)12-29-19(25)9-10-24-22(27)17-5-3-4-6-18(17)23(24)28/h7-8,11,17-18H,3-6,9-10,12H2,1-2H3/t17-,18+
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1CN3C(=O)C4=CC=CC5=C(C=CC(=C54)S3(=O)=O)CCN6C=C[N+](=C6)CCO)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C29H30N4O8S/c1-16-21(26(29(38)39)33-25(16)23(17(2)35)28(33)37)14-32-27(36)20-5-3-4-19-18(6-7-22(24(19)20)42(32,40)41)8-9-30-10-11-31(15-30)12-13-34/h3-7,10-11,15-17,23,25,34-35H,8-9,12-14H2,1-2H3/p+1/t16-,17+,23+,25+/m0/s1
SMILES: CC(C)N1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=COC=C3
InChI: InChI=1S/C19H19N5O/c1-12(2)24-5-3-14-15(7-20)18(23)19(10-21,11-22)17(16(14)8-24)13-4-6-25-9-13/h3-4,6,9,12,15-17,23H,5,8H2,1-2H3/t15?,16-,17+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC=CC=C6OCCO)C(=O)N(C5=O)CC7=CC=CC=C7)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C42H37Cl2N3O7/c1-53-27-14-11-25(12-15-27)42-32(39(50)47(41(42)52)45-34-18-13-26(43)21-33(34)44)22-31-28(37(42)29-9-5-6-10-35(29)54-20-19-48)16-17-30-36(31)40(51)46(38(30)49)23-24-7-3-2-4-8-24/h2-16,18,21,30-32,36-37,45,48H,17,19-20,22-23H2,1H3/t30-,31+,32-,36-,37+,42+/m0/s1
SMILES: CC(C)(C)OC(=O)N1C[C@H]([C@H]([C@@H]([C@@H]1N2C(=O)C3=CC=CC=C3C2=O)OCOC)OCOC)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H46N2O9Si/c1-28(2,3)40-27(34)30-15-19(16-39-41(9,10)29(4,5)6)22(37-17-35-7)23(38-18-36-8)24(30)31-25(32)20-13-11-12-14-21(20)26(31)33/h11-14,19,22-24H,15-18H2,1-10H3/t19-,22+,23-,24-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H38N2O13/c1-17(36)34-29-31(47-20(4)39)30(46-19(3)38)27(16-43-18(2)37)48-32(29)44-14-21(13-28(40)41)35-33(42)45-15-26-24-11-7-5-9-22(24)23-10-6-8-12-25(23)26/h5-12,21,26-27,29-32H,13-16H2,1-4H3,(H,34,36)(H,35,42)(H,40,41)/t21-,27-,29-,30+,31-,32+/m1/s1
SMILES: C1=CC=C(C=C1)C2=CN(C(=O)NC2=O)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F
InChI: InChI=1S/C15H15FN2O5/c16-11-12(20)10(7-19)23-14(11)18-6-9(13(21)17-15(18)22)8-4-2-1-3-5-8/h1-6,10-12,14,19-20H,7H2,(H,17,21,22)/t10-,11+,12-,14-/m1/s1
SMILES: C1CCC(C1)(CO)[C@@H](C(=O)N2[C@@H](C[C@H]3[C@@H]2C3)C#N)N
InChI: InChI=1S/C14H21N3O2/c15-7-10-5-9-6-11(9)17(10)13(19)12(16)14(8-18)3-1-2-4-14/h9-12,18H,1-6,8,16H2/t9-,10+,11+,12-/m1/s1
SMILES: CC(C)(C)N(CC(=O)NC1=CC=C(C=C1)F)C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C22H26FN3O4/c1-22(2,3)26(12-18(27)24-15-10-8-14(23)9-11-15)19(28)13-25-20(29)16-6-4-5-7-17(16)21(25)30/h4-5,8-11,16-17H,6-7,12-13H2,1-3H3,(H,24,27)/t16-,17+
SMILES: CCN(CC1=CC=CC=C1)C(=O)COC(=O)CN2C(=O)[C@]3(CCCC[C@H]3C)NC2=O
InChI: InChI=1S/C22H29N3O5/c1-3-24(13-17-10-5-4-6-11-17)18(26)15-30-19(27)14-25-20(28)22(23-21(25)29)12-8-7-9-16(22)2/h4-6,10-11,16H,3,7-9,12-15H2,1-2H3,(H,23,29)/t16-,22-/m1/s1
SMILES: CC(C(=O)N1[C@H]2C[C@@H]3CC[C@]2(C3(C)C)CS1(=O)=O)Br
InChI: InChI=1S/C13H20BrNO3S/c1-8(14)11(16)15-10-6-9-4-5-13(10,12(9,2)3)7-19(15,17)18/h8-10H,4-7H2,1-3H3/t8?,9-,10-,13-/m0/s1
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CCC4=C3CCC4(C)C
InChI: InChI=1S/C20H30O/c1-19(2)10-9-16-15-5-4-13-12-14(21)8-11-20(13,3)18(15)7-6-17(16)19/h13,15,18H,4-12H2,1-3H3/t13-,15-,18-,20-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H]2CCC3=C([C@]2(CCC1=O)C)C=CC(=C3OC)C(C)C
InChI: InChI=1S/C22H30O4/c1-6-26-21(24)19-17-10-8-15-16(22(17,4)12-11-18(19)23)9-7-14(13(2)3)20(15)25-5/h7,9,13,17,19H,6,8,10-12H2,1-5H3/t17-,19-,22+/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C=CCC[C@@]4([C@H]3C=C[C@]12C)C
InChI: InChI=1S/C24H34O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h4,6,13,15-17,19,21H,5,7-12,14H2,1-3H3,(H,25,26)/t16-,17+,19-,21+,23+,24-/m1/s1
SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@]2(C5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C=C(C=C4O)C(=O)O
InChI: InChI=1S/C27H30O16/c28-6-13-17(31)20(34)22(36)24(41-13)27(40)9-2-1-3-12(42-26-23(37)21(35)18(32)14(7-29)43-26)16(9)19(33)15-10(27)4-8(25(38)39)5-11(15)30/h1-5,13-14,17-18,20-24,26,28-32,34-37,40H,6-7H2,(H,38,39)/t13-,14-,17-,18-,20+,21+,22-,23-,24?,26-,27+/m1/s1
SMILES: CC(=O)O[C@@]1(CC[C@]2([C@@]1([C@@H](C[C@H]3[C@]2(CC=C4[C@@]3(CC[C@@H](C4)O)C)O)OC(=O)C5=CC=C(C=C5)O)C)O)O
InChI: InChI=1S/C28H36O9/c1-16(29)37-28(35)13-12-27(34)25(28,3)22(36-23(32)17-4-6-19(30)7-5-17)15-21-24(2)10-9-20(31)14-18(24)8-11-26(21,27)33/h4-8,20-22,30-31,33-35H,9-15H2,1-3H3/t20-,21+,22+,24-,25-,26-,27+,28+/m0/s1
SMILES: COC1=CC=CC2=C1CC[C@@H]([C@@H]2NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C31H29NO2/c1-34-28-19-11-18-27-26(28)21-20-25(22-12-5-2-6-13-22)30(27)32-31(33)29(23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-19,25,29-30H,20-21H2,1H3,(H,32,33)/t25-,30+/m1/s1
SMILES: CC(C)(C)OC(=O)[C@@H]1C[C@]2([C@@H](CC[C@@H]1N2)NCC3=C(C=CC(=C3)OC(F)(F)F)OC4CC4)C5=CC=CC=C5
InChI: InChI=1S/C29H35F3N2O4/c1-27(2,3)38-26(35)22-16-28(19-7-5-4-6-8-19)25(14-12-23(22)34-28)33-17-18-15-21(37-29(30,31)32)11-13-24(18)36-20-9-10-20/h4-8,11,13,15,20,22-23,25,33-34H,9-10,12,14,16-17H2,1-3H3/t22-,23+,25-,28-/m1/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI: InChI=1S/C29H50O/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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24?,25-,26?,27?,28+,29-/m1/s1
SMILES: COC1=CC=CC(=C1OC)C(=O)OCC(=O)N2CCC[C@@H]3[C@H]2CCCC3
InChI: InChI=1S/C20H27NO5/c1-24-17-11-5-9-15(19(17)25-2)20(23)26-13-18(22)21-12-6-8-14-7-3-4-10-16(14)21/h5,9,11,14,16H,3-4,6-8,10,12-13H2,1-2H3/t14-,16-/m1/s1
SMILES: C1=CC=C(C=C1)COCC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C[C@@H]3[C@H](C=C[C@H]4[C@H](O3)C=C[C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)O)OCC7=CC=C(C=C7)Br)OCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C61H65BrO10/c62-50-28-26-49(27-29-50)42-68-60-57(72-55(34-35-64-37-44-16-6-1-7-17-44)59(67-40-47-22-12-4-13-23-47)61(60)69-41-48-24-14-5-15-25-48)36-56-51(63)30-31-53-54(70-56)33-32-52(66-39-46-20-10-3-11-21-46)58(71-53)43-65-38-45-18-8-2-9-19-45/h1-33,51-61,63H,34-43H2/t51-,52-,53-,54+,55-,56+,57+,58+,59-,60+,61+/m0/s1
SMILES: C[C@@]1(CCC[C@]2([C@H]1CCC(=C)[C@@H]2CC[C@@](C)(C=C)O)C)CO
InChI: InChI=1S/C20H34O2/c1-6-19(4,22)13-10-16-15(2)8-9-17-18(3,14-21)11-7-12-20(16,17)5/h6,16-17,21-22H,1-2,7-14H2,3-5H3/t16-,17-,18+,19+,20+/m0/s1
SMILES: CCCO[C@H]1[C@@H](O[C@@H]2[C@@H]1OC3(O2)CCCCC3)[C@@H]4COC5(O4)CCCCC5
InChI: InChI=1S/C21H34O6/c1-2-13-22-17-16(15-14-23-20(25-15)9-5-3-6-10-20)24-19-18(17)26-21(27-19)11-7-4-8-12-21/h15-19H,2-14H2,1H3/t15-,16-,17-,18+,19-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)[C]2[CH][CH][CH][CH]2)C(C)C.CI.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].[Ru+]
InChI: InChI=1S/C26H24P2.C15H23.CHF3O3S.CH3I.Ru/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-11(2)14-9-8-12(3)10-15(14)13-6-4-5-7-13;2-1(3,4)8(5,6)7;1-2;/h1-20H,21-22H2;4-7,11-12,14-15H,8-10H2,1-3H3;(H,5,6,7);1H3;/q;;;;+1/p-1/t;12-,14+,15-;;;/m.1.../s1
SMILES: CC[C@@]1([C@@](N(C(=O)O1)CCC2=C(NC3=C2C=CC=C3Cl)C)(C)O)C
InChI: InChI=1S/C18H23ClN2O3/c1-5-17(3)18(4,23)21(16(22)24-17)10-9-12-11(2)20-15-13(12)7-6-8-14(15)19/h6-8,20,23H,5,9-10H2,1-4H3/t17-,18-/m1/s1
SMILES: C[C@H]1[C@H](O[P@](=N[Si](C)(C)C)(N1C)[C@H](C2=CC=C(C=C2)Cl)O[Si](C)(C)C)C3=CC=CC=C3
InChI: InChI=1S/C23H36ClN2O2PSi2/c1-18-22(19-12-10-9-11-13-19)27-29(26(18)2,25-30(3,4)5)23(28-31(6,7)8)20-14-16-21(24)17-15-20/h9-18,22-23H,1-8H3/t18-,22-,23+,29+/m0/s1
SMILES: C1[C@H]2[C@H]([C@@H]([C@@H]([C@H](N2C(=O)NC3=CC=CC=C3)O1)O)O)O
InChI: InChI=1S/C13H16N2O5/c16-9-8-6-20-12(11(18)10(9)17)15(8)13(19)14-7-4-2-1-3-5-7/h1-5,8-12,16-18H,6H2,(H,14,19)/t8-,9+,10-,11-,12+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)N=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C
InChI: InChI=1S/C30H34NO5P/c1-29(2)32-20-24(34-29)26-25(27-28(33-26)36-30(3,4)35-27)31-37(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24-28H,20H2,1-4H3/t24-,25+,26+,27-,28-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl
InChI: InChI=1S/C19H26ClF3N4O/c1-13-4-2-3-5-16(13)25-17(28)12-26-6-8-27(9-7-26)18-15(20)10-14(11-24-18)19(21,22)23/h10-11,13,16H,2-9,12H2,1H3,(H,25,28)/t13-,16+/m0/s1
SMILES: CC(C)OC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3+/t21-,22+,23+,24-,25+/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCF)OC(=O)C5CCCC5)C)O)F)C)F
InChI: InChI=1S/C28H35F3O6/c1-15-10-18-19-12-21(30)20-11-17(32)8-9-25(20,2)27(19,31)22(33)13-26(18,3)28(15,24(35)36-14-29)37-23(34)16-6-4-5-7-16/h8-9,11,15-16,18-19,21-22,33H,4-7,10,12-14H2,1-3H3/t15-,18+,19+,21+,22+,25+,26+,27+,28+/m1/s1
SMILES: CC(C)[C@H]1COC(=O)N1[C@H]2[C@H](N(C2=O)CC3=CC=CC=C3)C(=O)C
InChI: InChI=1S/C18H22N2O4/c1-11(2)14-10-24-18(23)20(14)16-15(12(3)21)19(17(16)22)9-13-7-5-4-6-8-13/h4-8,11,14-16H,9-10H2,1-3H3/t14-,15-,16+/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@](C2=O)(NC(=O)C(C3=CSC=C3)C(=O)O)OC)C(=O)O)C
InChI: InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16-/m0/s1
SMILES: C[N+](CCO)(CCO)C/C=C/C1=C(C2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)OCC4=CC=C(C=C4)OC
InChI: InChI=1S/C30H37N5O8S2/c1-35(11-13-36,12-14-37)10-4-5-19-16-44-27-23(22(19)29(40)43-15-18-6-8-20(41-2)9-7-18)26(38)25(27)33-28(39)24(34-42-3)21-17-45-30(31)32-21/h4-9,17,23,25,27,36-37H,10-16H2,1-3H3,(H2-,31,32,33,39)/p+1/b5-4+,34-24-/t23?,25-,27+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@H](CC2)[Se]C3=CC=CC=C3
InChI: InChI=1S/C18H25NO2Se/c1-18(2,3)21-17(20)19-13-9-11-15(19)16(12-10-13)22-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3/t13-,15+,16-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)O)COCC2=CC=CC=C2
InChI: InChI=1S/C20H32O6Si/c1-14(21)24-17-16(13-23-12-15-10-8-7-9-11-15)25-19(22)18(17)26-27(5,6)20(2,3)4/h7-11,16-19,22H,12-13H2,1-6H3/t16-,17-,18-,19-/m1/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2CC(=O)NC4=NN=C(S4)C5CC5)CC6(CC6)C7[C@@]3(CCC(=O)N7)C
InChI: InChI=1S/C27H38N4O2S/c1-25-9-7-19-17(14-27(11-12-27)23-26(19,2)10-8-20(32)28-23)18(25)6-5-16(25)13-21(33)29-24-31-30-22(34-24)15-3-4-15/h15-19,23H,3-14H2,1-2H3,(H,28,32)(H,29,31,33)/t16-,17?,18+,19?,23?,25-,26-/m1/s1
SMILES: CCCCC(C(=O)OC)C(=O)OC1CCCC(C2C(O2)C(C(OC(=O)/C=C/CC(CC(CC(CCC(C(C[C@]3([C@@H]([C@H](C[C@H](O3)CC(C1)O)O)O)O)O)C)C)C)C)C(C)C(C(C)C(C(C)C(C)OC4C[C@H]([C@H]([C@H](O4)C)OC)OC)O)O)C)O
InChI: InChI=1S/C62H110O20/c1-15-16-21-46(60(71)76-14)61(72)79-44-20-18-22-47(64)58-56(81-58)40(9)55(39(8)54(69)38(7)53(68)37(6)41(10)77-52-31-50(74-12)57(75-13)42(11)78-52)80-51(67)23-17-19-33(2)26-35(4)27-34(3)24-25-36(5)49(66)32-62(73)59(70)48(65)30-45(82-62)29-43(63)28-44/h17,23,33-50,52-59,63-66,68-70,73H,15-16,18-22,24-32H2,1-14H3/b23-17+/t33?,34?,35?,36?,37?,38?,39?,40?,41?,42-,43?,44?,45-,46?,47?,48+,49?,50-,52?,53?,54?,55?,56?,57+,58?,59-,62+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=CC=C2C(=O)N3CCOCC3)C(=O)[O-]
InChI: InChI=1S/C19H24N2O5/c22-17(13-5-1-2-6-14(13)19(24)25)20-16-8-4-3-7-15(16)18(23)21-9-11-26-12-10-21/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,20,22)(H,24,25)/p-1/t13-,14+/m1/s1
SMILES: CC(C)C(C(=O)OC1([C@H]([C@@H]([C@@H](CO1)O)O)O)CO)N
InChI: InChI=1S/C11H21NO7/c1-5(2)7(12)10(17)19-11(4-13)9(16)8(15)6(14)3-18-11/h5-9,13-16H,3-4,12H2,1-2H3/t6-,7?,8-,9+,11?/m1/s1
SMILES: CC[C@H](C)C(=O)OC[C@]1(CO[C@H]([C@@H]1O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC=C(C=C3)CCO)CO)O)O)O
InChI: InChI=1S/C24H36O12/c1-3-13(2)21(30)32-11-24(31)12-33-23(20(24)29)36-19-18(28)17(27)16(10-26)35-22(19)34-15-6-4-14(5-7-15)8-9-25/h4-7,13,16-20,22-23,25-29,31H,3,8-12H2,1-2H3/t13-,16+,17+,18-,19+,20-,22+,23-,24+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)C/C(=N\OCC4=CC(=CC(=C4)F)F)/C5=C3C=CC(=C5)O
InChI: InChI=1S/C25H27F2NO4/c1-25-5-4-18-17-3-2-16(29)9-20(17)22(10-19(18)21(25)11-23(30)24(25)31)28-32-12-13-6-14(26)8-15(27)7-13/h2-3,6-9,18-19,21,23-24,29-31H,4-5,10-12H2,1H3/b28-22+/t18-,19-,21+,23-,24+,25+/m1/s1