EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)C1=CC=C(C=C1)/C=C/C(=O)N2CC[C@]3(CCCC[C@@H]3[C@@H]2C4=CC=CC=C4OC)O
InChI: InChI=1S/C28H35NO3/c1-20(2)22-14-11-21(12-15-22)13-16-26(30)29-19-18-28(31)17-7-6-9-24(28)27(29)23-8-4-5-10-25(23)32-3/h4-5,8,10-16,20,24,27,31H,6-7,9,17-19H2,1-3H3/b16-13+/t24-,27+,28+/m1/s1
SMILES: COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)OCC5=CC=CC=C5)O)OCC6=CC=CC=C6)OCC7=CC=CC=C7)N8C(=O)C9=CC=CC=C9C8=O
InChI: InChI=1S/C55H55NO13/c1-61-40-26-28-41(29-27-40)66-54-46(56-52(59)42-24-14-15-25-43(42)53(56)60)50(64-33-38-20-10-4-11-21-38)49(45(68-54)35-62-31-36-16-6-2-7-17-36)69-55-51(65-34-39-22-12-5-13-23-39)47(58)48(44(30-57)67-55)63-32-37-18-8-3-9-19-37/h2-29,44-51,54-55,57-58H,30-35H2,1H3/t44-,45-,46-,47+,48+,49-,50-,51-,54-,55+/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=CC=CC(=C1)CNC(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=CC=C4C=COCCO)OC(O3)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C48H52N2O11/c1-47(2,3)60-42(53)22-21-38(31-52)50-45(55)34-15-12-13-32(27-34)30-49-44(54)35-28-40(58-46(56)39-20-11-10-14-33(39)23-25-57-26-24-51)43-41(29-35)59-48(61-43,36-16-6-4-7-17-36)37-18-8-5-9-19-37/h4-20,23,25,27,29,38,40-41,43,51-52H,21-22,24,26,28,30-31H2,1-3H3,(H,49,54)(H,50,55)/t38-,40+,41+,43-/m0/s1
SMILES: CCOC(=O)C1=CSC(=N1)[C@H]([C@]2([C@H](OC(O2)(C)C)C)C)N(C(=O)C(F)(F)F)C(=O)OC(C)(C)C
InChI: InChI=1S/C21H29F3N2O7S/c1-9-30-15(27)12-10-34-14(25-12)13(20(8)11(2)31-19(6,7)33-20)26(16(28)21(22,23)24)17(29)32-18(3,4)5/h10-11,13H,9H2,1-8H3/t11-,13-,20-/m1/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)C[C@H]3[C@H]4C5=C([C@@H]([C@H](N4C)C(N3[C@H]2CNC(=O)C(=O)C)C#N)O)C(=O)C(=C(C5=O)OC)C)OC
InChI: InChI=1S/C29H30N4O9/c1-10-22(35)13-7-14-20-18-19(23(36)11(2)28(42-6)26(18)39)24(37)21(32(20)4)15(8-30)33(14)16(9-31-29(40)12(3)34)17(13)25(38)27(10)41-5/h14-16,20-21,24,37H,7,9H2,1-6H3,(H,31,40)/t14-,15?,16-,20-,21+,24-/m0/s1
SMILES: CC(C)C[C@@H](C(=O)N)NC(=O)[C@H]1C[C@H]([C@@H]([C@@H]([C@H]1SCC2=CC=C(C=C2)Cl)O)O)O
InChI: InChI=1S/C20H29ClN2O5S/c1-10(2)7-14(19(22)27)23-20(28)13-8-15(24)16(25)17(26)18(13)29-9-11-3-5-12(21)6-4-11/h3-6,10,13-18,24-26H,7-9H2,1-2H3,(H2,22,27)(H,23,28)/t13-,14-,15+,16-,17-,18-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CN([C@@H]1C2=CC=C(C=C2)OC)CCS(=O)CC)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C25H31NO6S/c1-4-30-25(27)23-20(18-8-11-21-22(14-18)32-16-31-21)15-26(12-13-33(28)5-2)24(23)17-6-9-19(29-3)10-7-17/h6-11,14,20,23-24H,4-5,12-13,15-16H2,1-3H3/t20-,23-,24+,33?/m0/s1
SMILES: COC(=O)[C@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=CC=C5
InChI: InChI=1S/C22H18N2O4/c1-28-22(27)19-17-16(18-15-10-6-5-7-13(15)11-12-23(18)19)20(25)24(21(17)26)14-8-3-2-4-9-14/h2-12,16-19H,1H3/t16-,17+,18+,19+/m0/s1
SMILES: C=C1[C@H]([C@@H](NC(=O)N1)C2=CC(=CC=C2)F)C(=O)NC3=CC=C(C=C3)Br
InChI: InChI=1S/C18H15BrFN3O2/c1-10-15(17(24)22-14-7-5-12(19)6-8-14)16(23-18(25)21-10)11-3-2-4-13(20)9-11/h2-9,15-16H,1H2,(H,22,24)(H2,21,23,25)/t15-,16+/m1/s1
SMILES: [13CH2]1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1/i6+1
SMILES: CC1=CC(=C(C=C1)NC(=O)N[C@H]2COC(O[C@H]2C3=CC=CC=C3)(C)C)Br
InChI: InChI=1S/C20H23BrN2O3/c1-13-9-10-16(15(21)11-13)22-19(24)23-17-12-25-20(2,3)26-18(17)14-7-5-4-6-8-14/h4-11,17-18H,12H2,1-3H3,(H2,22,23,24)/t17-,18-/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@@H](CO[Si](C)(C)C(C)(C)C)O)[C@@H](CO[Si](C)(C)C(C)(C)C)O)C
InChI: InChI=1S/C21H46O6Si2/c1-19(2,3)28(9,10)24-13-15(22)17-18(27-21(7,8)26-17)16(23)14-25-29(11,12)20(4,5)6/h15-18,22-23H,13-14H2,1-12H3/t15-,16-,17-,18-/m1/s1
SMILES: CS(=O)(=O)OC[C@]12C[C@H]([C@@H](O1)N3C=NC4=C(N=CN=C43)N)OC2
InChI: InChI=1S/C12H15N5O5S/c1-23(18,19)21-4-12-2-7(20-3-12)11(22-12)17-6-16-8-9(13)14-5-15-10(8)17/h5-7,11H,2-4H2,1H3,(H2,13,14,15)/t7-,11-,12-/m1/s1
SMILES: CS(=O)(=O)O[C@@H]1CC[C@H]([C@H](C1)C2=CN=C(C=C2)Cl)C(=O)N=[N+]=[N-]
InChI: InChI=1S/C13H15ClN4O4S/c1-23(20,21)22-9-3-4-10(13(19)17-18-15)11(6-9)8-2-5-12(14)16-7-8/h2,5,7,9-11H,3-4,6H2,1H3/t9-,10-,11-/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@@H]2[C@H](N[C@@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)CCSC
InChI: InChI=1S/C20H25N3O3S/c1-19(2,3)23-16(24)14-13(9-10-27-4)22-20(15(14)17(23)25)11-7-5-6-8-12(11)21-18(20)26/h5-8,13-15,22H,9-10H2,1-4H3,(H,21,26)/t13-,14-,15+,20-/m1/s1
SMILES: C[C@H]1C([C@](C[C@H]([C@@]2(C(CCC13C2C(=O)CC3)C)C)OC(=O)CSC4CCN(C=C4)C(=O)OC(C)(C)C)(C)C=C)O
InChI: InChI=1S/C32H49NO6S/c1-9-30(7)18-24(31(8)20(2)10-14-32(21(3)27(30)36)15-11-23(34)26(31)32)38-25(35)19-40-22-12-16-33(17-13-22)28(37)39-29(4,5)6/h9,12,16,20-22,24,26-27,36H,1,10-11,13-15,17-19H2,2-8H3/t20?,21-,22?,24+,26?,27?,30+,31-,32?/m0/s1
SMILES: COC(=O)[C@]1([C@@H](CN=N1)C2=CSC=C2)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C16H15N3O3S/c1-22-15(21)16(18-14(20)11-5-3-2-4-6-11)13(9-17-19-16)12-7-8-23-10-12/h2-8,10,13H,9H2,1H3,(H,18,20)/t13-,16+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](C[C@@H]3CCCC[C@H]3[C@@H]2/C=C/C4=NC=C(C=C4)C5=CC=CC=C5Cl)C(=O)O1
InChI: InChI=1S/C26H28ClNO2/c1-16-25-22(20-7-3-2-6-17(20)14-23(25)26(29)30-16)13-12-19-11-10-18(15-28-19)21-8-4-5-9-24(21)27/h4-5,8-13,15-17,20,22-23,25H,2-3,6-7,14H2,1H3/b13-12+/t16-,17+,20-,22+,23-,25+/m1/s1
SMILES: CC[C@@H]1CN(C[C@@]2([C@H]1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C(=O)OC)C
InChI: InChI=1S/C21H26N2O3/c1-4-13-11-23(2)12-21(20(25)26-3)10-15-14-7-5-6-8-17(14)22-19(15)18(24)9-16(13)21/h5-8,13,16,22H,4,9-12H2,1-3H3/t13-,16+,21+/m1/s1
SMILES: CCCCOC(=O)C1(CC1)C(/C=C/[C@@H](C)[C@H]2CCC\3[C@@]2(CCC/C3=C\C=C4C[C@H](C[C@@H](C4)O)O)C)O
InChI: InChI=1S/C31H48O5/c1-4-5-17-36-29(35)31(15-16-31)28(34)13-8-21(2)26-11-12-27-23(7-6-14-30(26,27)3)10-9-22-18-24(32)20-25(33)19-22/h8-10,13,21,24-28,32-34H,4-7,11-12,14-20H2,1-3H3/b13-8+,23-10+/t21-,24-,25-,26-,27?,28?,30-/m1/s1
SMILES: C1CCN2[C@H]3[C@@]4(CC/C=C\C5(C2/C=C\C1)CCCCC6CCC([C@@]3(C6)C5)C(=C4)C7=NC=CC8=C7NC9=CC=CC=C89)O
InChI: InChI=1S/C38H45N3O/c42-38-20-9-8-19-36-18-7-6-11-26-15-16-30(37(23-26,25-36)35(38)41-22-10-2-1-3-14-32(36)41)29(24-38)33-34-28(17-21-39-33)27-12-4-5-13-31(27)40-34/h3-5,8,12-14,17,19,21,24,26,30,32,35,40,42H,1-2,6-7,9-11,15-16,18,20,22-23,25H2/b14-3-,19-8-/t26?,30?,32?,35-,36?,37-,38+/m1/s1
SMILES: CC1(O[C@H]2[C@@H](N([C@@H]([C@H]2O1)CSC3=CC=CC=C3)C(=O)OC(C)(C)C)CC#N)C
InChI: InChI=1S/C21H28N2O4S/c1-20(2,3)27-19(24)23-15(11-12-22)17-18(26-21(4,5)25-17)16(23)13-28-14-9-7-6-8-10-14/h6-10,15-18H,11,13H2,1-5H3/t15-,16+,17-,18+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)CSC3=NNC(=N3)C4=CC=CC=C4
InChI: InChI=1S/C19H24N4OS/c24-17(23-12-6-10-14-7-4-5-11-16(14)23)13-25-19-20-18(21-22-19)15-8-2-1-3-9-15/h1-3,8-9,14,16H,4-7,10-13H2,(H,20,21,22)/t14-,16+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C20H31N3O3S/c1-16-7-9-18(10-8-16)27(25,26)23-13-11-22(12-14-23)20(24)15-21-19-6-4-3-5-17(19)2/h7-10,17,19,21H,3-6,11-15H2,1-2H3/t17-,19-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N
InChI: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
SMILES: C[C@]12CC[C@@](C[C@]1(CC[C@@H]2CO)O)(C3=CC=NC=C3)O
InChI: InChI=1S/C16H23NO3/c1-14-6-7-15(19,12-3-8-17-9-4-12)11-16(14,20)5-2-13(14)10-18/h3-4,8-9,13,18-20H,2,5-7,10-11H2,1H3/t13-,14-,15-,16+/m1/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@@H]([C@@]2(C3N1N=CC4=CC=CC=C34)C(=O)OC(=N2)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C30H27N3O3/c1-29(2,3)26(34)24-23(19-12-6-4-7-13-19)30(25-22-17-11-10-16-21(22)18-31-33(24)25)28(35)36-27(32-30)20-14-8-5-9-15-20/h4-18,23-25H,1-3H3/t23-,24+,25?,30+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSC2=NN=C(O2)C3=CC(=C(C=C3)C)C
InChI: InChI=1S/C20H26N4O3S/c1-12-8-9-15(10-14(12)3)18-23-24-20(27-18)28-11-17(25)22-19(26)21-16-7-5-4-6-13(16)2/h8-10,13,16H,4-7,11H2,1-3H3,(H2,21,22,25,26)/t13-,16-/m0/s1
SMILES: C[C@]12CC3=C(C=C1CCC[C@@]24CCC(=O)O4)N(N=C3)C5=CC=C(C=C5)F
InChI: InChI=1S/C21H21FN2O2/c1-20-12-14-13-23-24(17-6-4-16(22)5-7-17)18(14)11-15(20)3-2-9-21(20)10-8-19(25)26-21/h4-7,11,13H,2-3,8-10,12H2,1H3/t20-,21+/m0/s1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)OC(=O)C7=CC=C(C=C7)Br
InChI: InChI=1S/C31H20BrNO4/c32-18-11-9-17(10-12-18)31(36)37-20-15-13-19(14-16-20)33-29(34)27-25-21-5-1-2-6-22(21)26(28(27)30(33)35)24-8-4-3-7-23(24)25/h1-16,25-28H/t25?,26?,27-,28-/m1/s1
SMILES: C[C@@H]([C@@H]1[C@@H]2COC(=O)[C@@H]2N(O1)C(C3=CC=CC=C3)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H35NO4Si/c1-18(31-32(5,6)26(2,3)4)24-21-17-29-25(28)23(21)27(30-24)22(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-24H,17H2,1-6H3/t18-,21+,23+,24+/m0/s1
SMILES: CCN1C(=O)[C@H]2[C@H](C1=O)[C@]([NH2+][C@@H]2C3=CC=CO3)(CC4=CC=C(C=C4)O)C(=O)OCC
InChI: InChI=1S/C22H24N2O6/c1-3-24-19(26)16-17(20(24)27)22(21(28)29-4-2,12-13-7-9-14(25)10-8-13)23-18(16)15-6-5-11-30-15/h5-11,16-18,23,25H,3-4,12H2,1-2H3/p+1/t16-,17+,18+,22+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=O)NC3=CC=CC4=CC=CC=C43)NCC5=CNC6=CC=CC=C65
InChI: InChI=1S/C26H25N3O4/c30-26(29-21-11-5-7-16-6-1-2-8-18(16)21)33-23-15-32-24-22(14-31-25(23)24)28-13-17-12-27-20-10-4-3-9-19(17)20/h1-12,22-25,27-28H,13-15H2,(H,29,30)/t22-,23+,24+,25+/m0/s1
SMILES: CSC1=CC=C(C=C1)O[C@@H]2CCCC[C@H]2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C20H20N2O7S/c1-30-17-8-6-16(7-9-17)28-18-4-2-3-5-19(18)29-20(23)13-10-14(21(24)25)12-15(11-13)22(26)27/h6-12,18-19H,2-5H2,1H3/t18-,19-/m1/s1
SMILES: CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2=O)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC
InChI: InChI=1S/C22H26N2O4/c1-4-12-9-13-11-22(21(26)28-3)18-15(7-8-24(19(12)22)20(13)25)16-10-14(27-2)5-6-17(16)23-18/h5-6,10,12-13,19,23H,4,7-9,11H2,1-3H3/t12-,13+,19-,22+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)NC(=O)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H22Cl3NO8S/c1-10(25)29-9-14-16(30-11(2)26)17(31-12(3)27)15(24-19(28)20(21,22)23)18(32-14)33-13-7-5-4-6-8-13/h4-8,14-18H,9H2,1-3H3,(H,24,28)/t14-,15-,16+,17-,18+/m1/s1
SMILES: CN1C=CC=C1C(=O)N[C@H]2CCN3[C@@H]2C(=O)NC4=C(C3=O)C=C(C=C4)C5=C(C=CC(=C5)Cl)OC
InChI: InChI=1S/C25H23ClN4O4/c1-29-10-3-4-20(29)23(31)28-19-9-11-30-22(19)24(32)27-18-7-5-14(12-17(18)25(30)33)16-13-15(26)6-8-21(16)34-2/h3-8,10,12-13,19,22H,9,11H2,1-2H3,(H,27,32)(H,28,31)/t19-,22-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2C(=NO)C[C@@]4([C@@H]3CC[C@@H]4OC(=O)C)C)C
InChI: InChI=1S/C23H35NO5/c1-13(25)28-16-9-10-22(3)15(11-16)5-6-17-18-7-8-20(29-14(2)26)23(18,4)12-19(24-27)21(17)22/h15-18,20-21,27H,5-12H2,1-4H3/t15-,16+,17+,18-,20+,21-,22+,23-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(C[C@@H]2C(=C)CCCC2(C)C)/C(=C/CC[C@@H]3[C@]4(CCCC(C4CC[C@@]3(C)OC5CCCCO5)(C)C)C)/C
InChI: InChI=1S/C42H66O4S/c1-30-19-21-33(22-20-30)47(43,44)35(29-34-31(2)16-13-24-39(34,4)5)32(3)15-12-17-37-41(8)26-14-25-40(6,7)36(41)23-27-42(37,9)46-38-18-10-11-28-45-38/h15,19-22,34-38H,2,10-14,16-18,23-29H2,1,3-9H3/b32-15+/t34-,35?,36?,37-,38?,41+,42-/m1/s1
SMILES: CC(C)[C@@H](C(=O)N1CC[C@@H]([C@H]1C2(CCC2)C(=O)O)NC(=O)C3CC3)NC(=O)NC4CCCC4
InChI: InChI=1S/C24H38N4O5/c1-14(2)18(27-23(33)25-16-6-3-4-7-16)21(30)28-13-10-17(26-20(29)15-8-9-15)19(28)24(22(31)32)11-5-12-24/h14-19H,3-13H2,1-2H3,(H,26,29)(H,31,32)(H2,25,27,33)/t17-,18-,19-/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)NC(=O)C3=CC=CC=C3)C(=O)O)CO
InChI: InChI=1S/C21H23N3O8S/c25-9-12-10-33-19-15(18(28)24(19)16(12)21(31)32)23-14(26)8-4-7-13(20(29)30)22-17(27)11-5-2-1-3-6-11/h1-3,5-6,13,15,19,25H,4,7-10H2,(H,22,27)(H,23,26)(H,29,30)(H,31,32)/t13-,15-,19-/m1/s1
SMILES: COC1=C(C(=C(C(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)C(=O)C8=CC=CC=C8)Br)Br)O
InChI: InChI=1S/C40H27Br2Cl2FN2O7/c1-54-28-17-26(31(41)32(42)34(28)49)30-24-15-16-25-29(27(24)18-39(43)37(52)47(38(53)40(30,39)44)23-13-9-21(45)10-14-23)36(51)46(35(25)50)22-11-7-20(8-12-22)33(48)19-5-3-2-4-6-19/h2-15,17,25,27,29-30,49H,16,18H2,1H3/t25-,27+,29-,30+,39+,40-/m0/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])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=CC=CC=C8C=C7
InChI: InChI=1S/C55H60N4O12/c1-5-28-68-55-50(58(2)53(62)39-19-18-36-12-6-7-13-37(36)29-39)33-47(57-69-34-35-16-20-40(21-17-35)59(64)65)44-30-38(14-8-10-26-60)43(15-9-11-27-61)51(52(44)55)45-31-42(23-25-48(45)71-55)70-54(63)56-46-24-22-41(66-3)32-49(46)67-4/h5-7,12-13,16-25,29-32,38,43,50-52,60-61H,1,8-11,14-15,26-28,33-34H2,2-4H3,(H,56,63)/t38-,43+,50-,51+,52+,55+/m0/s1
SMILES: C1C[C@H]2[C@@H]3[C@H](CCN3C(=O)C1)[C@H]4CC(=O)O[C@H]4[C@@H]2I
InChI: InChI=1S/C14H18INO3/c15-12-8-2-1-3-10(17)16-5-4-7(13(8)16)9-6-11(18)19-14(9)12/h7-9,12-14H,1-6H2/t7-,8-,9-,12-,13+,14-/m1/s1
SMILES: COC1=CC=CC(=C1)[C@H]2[C@]3([C@@]2(C(N=C3N)(OC)OC)C#N)C#N
InChI: InChI=1S/C16H16N4O3/c1-21-11-6-4-5-10(7-11)12-14(8-17)13(19)20-16(22-2,23-3)15(12,14)9-18/h4-7,12H,1-3H3,(H2,19,20)/t12-,14+,15+/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI: InChI=1S/C45H80N5O11P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-42(51)57-34-38(35-58-43(52)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)61-62(55,56)59-36-40-39(48-49-46)32-41(60-40)50-33-37(3)44(53)47-45(50)54/h33,38-41H,4-32,34-36H2,1-3H3,(H,55,56)(H,47,53,54)/t39-,40+,41+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C2=CC(=C(C(=C2)OC)O)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H28O14/c1-10(24)32-9-17-19(33-11(2)25)20(34-12(3)26)21(35-13(4)27)23(36-17)37-22(29)14-7-15(30-5)18(28)16(8-14)31-6/h7-8,17,19-21,23,28H,9H2,1-6H3/t17-,19-,20+,21-,23+/m1/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=C(C=C(C=C6)OCC7=CC=CC=C7)O)C(=O)N(C5=O)C8=CC=C(C=C8)[N+](=O)[O-])C(=O)N(C3=O)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C46H36Cl2N4O9/c1-60-30-14-7-26(8-15-30)46-36(43(55)51(45(46)57)49-38-20-9-27(47)21-37(38)48)23-35-32(41(46)33-17-16-31(22-39(33)53)61-24-25-5-3-2-4-6-25)18-19-34-40(35)44(56)50(42(34)54)28-10-12-29(13-11-28)52(58)59/h2-18,20-22,34-36,40-41,49,53H,19,23-24H2,1H3/t34-,35+,36-,40-,41+,46+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2(CCCC2)C3=CC(=CC=C3)F
InChI: InChI=1S/C22H30FNO3/c1-15-7-5-10-19(16(15)2)24-20(25)14-27-21(26)22(11-3-4-12-22)17-8-6-9-18(23)13-17/h6,8-9,13,15-16,19H,3-5,7,10-12,14H2,1-2H3,(H,24,25)/t15-,16+,19-/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)CO
InChI: InChI=1S/C35H38O7/c1-37-30-19-17-29(18-20-30)24-38-32-31(21-36)42-35(41-25-28-15-9-4-10-16-28)34(40-23-27-13-7-3-8-14-27)33(32)39-22-26-11-5-2-6-12-26/h2-20,31-36H,21-25H2,1H3/t31-,32-,33+,34-,35+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)Br)C6=CC=CC=C6O
InChI: InChI=1S/C29H22BrNO5/c1-14-12-23(33)21-13-20-17(24(26(21)27(14)34)18-4-2-3-5-22(18)32)10-11-19-25(20)29(36)31(28(19)35)16-8-6-15(30)7-9-16/h2-10,12,19-20,24-25,32H,11,13H2,1H3/t19-,20+,24+,25-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C18H29N3O3/c1-12-7-3-4-9-14(12)19-15(22)11-21-16(23)18(20-17(21)24)10-6-5-8-13(18)2/h12-14H,3-11H2,1-2H3,(H,19,22)(H,20,24)/t12-,13+,14+,18+/m1/s1
SMILES: CCOC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C21H23NO6/c1-2-27-15-9-7-14(8-10-15)18(23)13-28-19(24)11-12-22-20(25)16-5-3-4-6-17(16)21(22)26/h3-4,7-10,16-17H,2,5-6,11-13H2,1H3/t16-,17-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)N(N=N3)CC(=O)NC4=CC=CC=C4Cl)C
InChI: InChI=1S/C20H18ClN5O3/c1-11-7-8-13(9-12(11)2)26-19(28)17-18(20(26)29)25(24-23-17)10-16(27)22-15-6-4-3-5-14(15)21/h3-9,17-18H,10H2,1-2H3,(H,22,27)/t17-,18-/m0/s1
SMILES: C[C@]12C[C@H]3[C@H]4C(=O)CC[C@H](C4(C)C)[C@@]5([C@]1(O3)[C@H](CC[C@@H]2O[Si](C)(C)C(C)(C)C)CO5)OC
InChI: InChI=1S/C26H44O5Si/c1-22(2,3)32(8,9)31-20-13-10-16-15-29-26(28-7)19-12-11-17(27)21(23(19,4)5)18-14-24(20,6)25(16,26)30-18/h16,18-21H,10-15H2,1-9H3/t16-,18+,19-,20+,21-,24-,25+,26-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@]2(C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)SC3=CC=CC=C3
InChI: InChI=1S/C28H46N2O5SSi2/c1-20-18-30(25(32)29-24(20)31)28(36-21-15-13-12-14-16-21)17-22(35-38(10,11)27(5,6)7)23(34-28)19-33-37(8,9)26(2,3)4/h12-16,18,22-23H,17,19H2,1-11H3,(H,29,31,32)/t22-,23+,28+/m0/s1
SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OC(=O)N(C)CCN(C)C(=O)OCCC(C)(CC(=O)C)O)OC)O)O
InChI: InChI=1S/C42H54N2O18/c1-20(45)16-42(3,51)8-11-54-40(49)43(4)9-10-44(5)41(50)62-36-28(52-6)12-22(13-29(36)53-7)31-23-14-26-27(58-19-57-26)15-24(23)35(25-17-56-38(48)32(25)31)61-39-34(47)33(46)37-30(60-39)18-55-21(2)59-37/h12-15,21,25,30-35,37,39,46-47,51H,8-11,16-19H2,1-7H3/t21-,25?,30-,31?,32?,33-,34-,35?,37-,39+,42?/m1/s1
SMILES: CC1=CC(=C2[C@@H]3C=CC[C@H]3[C@H](NC2=C1)C4=C(C=C(C=C4)Cl)Cl)C
InChI: InChI=1S/C20H19Cl2N/c1-11-8-12(2)19-14-4-3-5-15(14)20(23-18(19)9-11)16-7-6-13(21)10-17(16)22/h3-4,6-10,14-15,20,23H,5H2,1-2H3/t14-,15-,20+/m1/s1
SMILES: C1CCCOC(=O)CC(C(=O)OCCOCCOCCOC(=O)/C=C\C(=O)OCCCC1)SCCCOC(=O)[C@@H]2OCCOCCOCCOCCOCCO[C@H]2C(=O)OCCCSC3C(=O)OCCOCCOCCOC(=O)/C=C\C(=O)OCCCCCCCCOC(=O)C3
InChI: InChI=1S/C64H100O30S2/c65-53-15-17-55(67)87-41-35-77-31-33-81-39-45-93-61(71)51(49-57(69)85-21-11-7-3-1-5-9-19-83-53)95-47-13-23-91-63(73)59-60(90-44-38-80-30-28-76-26-25-75-27-29-79-37-43-89-59)64(74)92-24-14-48-96-52-50-58(70)86-22-12-8-4-2-6-10-20-84-54(66)16-18-56(68)88-42-36-78-32-34-82-40-46-94-62(52)72/h15-18,51-52,59-60H,1-14,19-50H2/b17-15-,18-16-/t51?,52?,59-,60-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H](C2=C(C=C(C=C2OC)OC)O[C@H]1C3=CC(=C(C(=C3)OC)OC)OC)C4=C(C=C(C=C4OC)OC)OC
InChI: InChI=1S/C31H36O11/c1-16(32)41-31-28(26-20(35-4)12-18(33-2)13-21(26)36-5)27-22(37-6)14-19(34-3)15-23(27)42-29(31)17-10-24(38-7)30(40-9)25(11-17)39-8/h10-15,28-29,31H,1-9H3/t28-,29-,31-/m0/s1
SMILES: C1[C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C(=O)N1C4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C15H13NO4/c17-13-12-11(14(18)19)10-6-7-15(12,20-10)8-16(13)9-4-2-1-3-5-9/h1-7,10-12H,8H2,(H,18,19)/t10-,11+,12+,15-/m1/s1
SMILES: COC(=O)C(CC#CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC8=NC9=CC=CC=C9S8)C(=O)OC
InChI: InChI=1S/C50H42N4O10S/c1-61-45(57)33(46(58)62-2)20-13-14-29-24-25-35-34(28-29)50(48(60)51-35)39(44(56)53-49-52-36-21-10-12-23-38(36)65-49)41-47(59)64-42(31-17-7-4-8-18-31)40(30-15-5-3-6-16-30)54(41)43(50)32-19-9-11-22-37(32)63-27-26-55/h3-12,15-19,21-25,28,33,39-43,55H,20,26-27H2,1-2H3,(H,51,60)(H,52,53,56)/t39-,40-,41-,42+,43+,50-/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(=C4)CN5C(=O)C6=CC=CC=C6C5=O)CSC7=NC=CC=N7
InChI: InChI=1S/C38H33N3O5S/c1-24-33(23-47-38-39-18-5-19-40-38)45-37(46-34(24)28-12-10-25(22-42)11-13-28)29-16-14-27(15-17-29)30-7-4-6-26(20-30)21-41-35(43)31-8-2-3-9-32(31)36(41)44/h2-20,24,33-34,37,42H,21-23H2,1H3/t24-,33+,34+,37+/m1/s1
SMILES: CC[C@]1([C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](C2=CC(=C(C=C2)OCC3=CC=CC=C3)O1)O)N(C)C(=O)OCC4=CC=CC=C4)C(C)C)C(=O)NCC(=O)OC(C)(C)C)C
InChI: InChI=1S/C42H54N4O10/c1-9-42(7)36(39(51)43-23-32(47)56-41(4,5)6)45-37(49)33(26(2)3)44-38(50)34(46(8)40(52)54-25-28-18-14-11-15-19-28)35(48)29-20-21-30(31(22-29)55-42)53-24-27-16-12-10-13-17-27/h10-22,26,33-36,48H,9,23-25H2,1-8H3,(H,43,51)(H,44,50)(H,45,49)/t33-,34-,35+,36+,42-/m0/s1
SMILES: C1CC[C@]23CCN([C@@H]([C@H]2C1)CC4=C3C=C(C=C4)O)CCC5=CC=CC=C5
InChI: InChI=1S/C24H29NO/c26-20-10-9-19-16-23-21-8-4-5-12-24(21,22(19)17-20)13-15-25(23)14-11-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,21,23,26H,4-5,8,11-16H2/t21-,23-,24+/m1/s1
SMILES: CC1=C2[C@@H]([C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C(=CC2=O)COC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C21H26O9/c1-8-3-4-11-9(2)20(27)30-19(11)15-10(5-12(23)14(8)15)7-28-21-18(26)17(25)16(24)13(6-22)29-21/h5,11,13,15-19,21-22,24-26H,2-4,6-7H2,1H3/t11-,13+,15-,16+,17-,18+,19-,21?/m0/s1
SMILES: COC1=C(C=CC(=C1)C[C@@H]2CO[C@H]([C@@H]2CO)C3=CC4=C(C=C3)OCO4)O
InChI: InChI=1S/C20H22O6/c1-23-18-7-12(2-4-16(18)22)6-14-10-24-20(15(14)9-21)13-3-5-17-19(8-13)26-11-25-17/h2-5,7-8,14-15,20-22H,6,9-11H2,1H3/t14-,15-,20+/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@@H](N([C@@H]([C@H]2OCC3=CC=CC=C3)C=O)C(=O)OCC4=CC=CC=C4)COC(=O)C5=CC=CC=C5
InChI: InChI=1S/C35H33NO7/c37-21-30-32(40-22-26-13-5-1-6-14-26)33(41-23-27-15-7-2-8-16-27)31(25-42-34(38)29-19-11-4-12-20-29)36(30)35(39)43-24-28-17-9-3-10-18-28/h1-21,30-33H,22-25H2/t30-,31+,32-,33-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OCCN7CC7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C58H79FN4O10/c1-3-5-6-7-8-9-10-11-12-17-36-70-57(66)62(41-43-20-24-46(59)25-21-43)54-40-52(60-72-42-44-22-26-47(27-23-44)63(67)68)50-38-45(18-13-15-33-64)49(19-14-16-34-65)55-51-39-48(69-37-32-61-30-31-61)28-29-53(51)73-58(54,56(50)55)71-35-4-2/h4,20-29,38-39,45,49,54-56,64-65H,2-3,5-19,30-37,40-42H2,1H3/t45-,49+,54-,55+,56+,58+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N(C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C36H60N6O7Si3/c1-34(2,3)50(11,12)46-21-26-28(48-51(13,14)35(4,5)6)29(49-52(15,16)36(7,8)9)33(47-26)41-23-39-27-30(37-22-38-31(27)41)40(10)32(43)24-17-19-25(20-18-24)42(44)45/h17-20,22-23,26,28-29,33H,21H2,1-16H3/t26-,28-,29-,33-/m1/s1
SMILES: C[C@@]12[C@@H]3C[C@H]([C@@H]1C(=O)N(C2=O)CCCCCCN4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@]5(C4=O)C)C=C6)C=C3
InChI: InChI=1S/C26H32N2O4/c1-25-17-9-7-15(13-17)19(25)21(29)27(23(25)31)11-5-3-4-6-12-28-22(30)20-16-8-10-18(14-16)26(20,2)24(28)32/h7-10,15-20H,3-6,11-14H2,1-2H3/t15-,16+,17+,18-,19-,20+,25-,26+
SMILES: CC1=CC=C(C=C1)CN([C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO)C(=O)C5=CC6=C(O5)C(=CC=C6)OC
InChI: InChI=1S/C35H36N2O9/c1-19-7-9-20(10-8-19)17-37(35(42)28-15-22-5-4-6-26(43-2)31(22)45-28)25-16-24(34(41)36-11-12-38)29-23-13-21(18-39)14-27(44-3)32(23)46-33(29)30(25)40/h4-10,13-16,25,29-30,33,38-40H,11-12,17-18H2,1-3H3,(H,36,41)/t25-,29+,30+,33+/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C(C)C)C)O)F)C
InChI: InChI=1S/C28H37FO7/c1-15(2)24(34)36-28(23(33)14-35-17(4)30)16(3)11-21-20-8-7-18-12-19(31)9-10-25(18,5)27(20,29)22(32)13-26(21,28)6/h9-10,12,15-16,20-22,32H,7-8,11,13-14H2,1-6H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1
SMILES: CC1=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)C6=CC=CC=C6)C)C(=O)N(C4=O)C)O
InChI: InChI=1S/C29H28N2O5/c1-15-8-7-11-19(24(15)32)23-17-12-13-18-22(27(35)30(3)25(18)33)20(17)14-21-26(34)31(28(36)29(21,23)2)16-9-5-4-6-10-16/h4-12,18,20-23,32H,13-14H2,1-3H3/t18-,20+,21-,22-,23+,29+/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=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)CC9=CC=CC=C9
InChI: InChI=1S/C48H46N2O6/c51-26-27-56-36-18-16-33(17-19-36)44-37-20-21-38-43(47(55)50(46(38)54)35-22-24-49(25-23-35)30-31-10-4-1-5-11-31)40(37)28-41-45(53)39(32-12-6-2-7-13-32)29-42(52)48(41,44)34-14-8-3-9-15-34/h1-20,29,35,38,40-41,43-44,51H,21-28,30H2/t38-,40+,41-,43-,44-,48-/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)N)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H17ClN2O/c20-13-7-4-11(5-8-13)18-15-3-1-2-14(15)16-10-12(19(21)23)6-9-17(16)22-18/h1-2,4-10,14-15,18,22H,3H2,(H2,21,23)/t14-,15-,18+/m1/s1
SMILES: C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O
InChI: InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/t10-,14-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC)Cl
InChI: InChI=1S/C36H42ClN5O4Si/c1-35(2,3)47(5,6)46-31-29(37)28(45-34(31)42-23-41-30-32(38)39-22-40-33(30)42)21-44-36(24-13-9-7-10-14-24,25-15-11-8-12-16-25)26-17-19-27(43-4)20-18-26/h7-20,22-23,28-29,31,34H,21H2,1-6H3,(H2,38,39,40)/t28-,29+,31-,34-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C[C@H]6CCCO6)C(=O)NC7=CC=C(C=C7)OC)O)C(=C5)C(=O)C8=CC=C(C=C8)OC)O)C
InChI: InChI=1S/C43H54N2O7/c1-39-18-15-30(46)24-41(39)21-22-43(34(25-41)37(47)28-7-11-31(50-3)12-8-28)35(39)16-19-40(2)36(43)17-20-42(40,49)27-45(26-33-6-5-23-52-33)38(48)44-29-9-13-32(51-4)14-10-29/h7-14,21-22,25,30,33,35-36,46,49H,5-6,15-20,23-24,26-27H2,1-4H3,(H,44,48)/t30?,33-,35-,36-,39-,40+,41+,42-,43-/m1/s1