EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=C(C=CC(=C1)NC2=NC=C(C(=N2)N[C@H]3[C@H]4C[C@@H]([C@H]3C(=O)N[C@H](C)C5=CC=CC=C5)C=C4)F)N6CCN(CC6)C
InChI: InChI=1S/C32H38FN7O/c1-20-17-25(11-12-27(20)40-15-13-39(3)14-16-40)36-32-34-19-26(33)30(38-32)37-29-24-10-9-23(18-24)28(29)31(41)35-21(2)22-7-5-4-6-8-22/h4-12,17,19,21,23-24,28-29H,13-16,18H2,1-3H3,(H,35,41)(H2,34,36,37,38)/t21-,23+,24-,28-,29+/m1/s1
SMILES: CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([C@H]1C(=O)O2)(C[C@H]5[C@]4(O5)C(=O)O3)O)C
InChI: InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7-,8+,9+,10+,13+,14+,15-/m0/s1
SMILES: C1CNC[C@H]2[C@@H]1COC3=C2C=C(C=C3)OCCC4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C24H25NO2/c1-2-7-21-17(4-1)5-3-6-18(21)11-13-26-20-8-9-24-22(14-20)23-15-25-12-10-19(23)16-27-24/h1-9,14,19,23,25H,10-13,15-16H2/t19-,23-/m0/s1
SMILES: C1C[C@]2(CC2C[C@@H]1N(CCN3C[C@H]([C@H](C3)O)O)C(=O)NC4=CC(=C(C=C4)F)Cl)C5=CC=CC(=C5)C#N
InChI: InChI=1S/C27H30ClFN4O3/c28-22-12-20(4-5-23(22)29)31-26(36)33(9-8-32-15-24(34)25(35)16-32)21-6-7-27(13-19(27)11-21)18-3-1-2-17(10-18)14-30/h1-5,10,12,19,21,24-25,34-35H,6-9,11,13,15-16H2,(H,31,36)/t19?,21-,24-,25+,27+/m1/s1
SMILES: CC(=O)O[C@@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)SC(=S)OCC(C)(C)C
InChI: InChI=1S/C17H26O8S2/c1-9(18)23-12-7-21-15(27-16(26)22-8-17(4,5)6)14(25-11(3)20)13(12)24-10(2)19/h12-15H,7-8H2,1-6H3/t12-,13-,14+,15-/m1/s1
SMILES: COCC1=CN(N=N1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NS(=O)(=O)C4=CC=CS4
InChI: InChI=1S/C14H18N4O5S2/c1-21-6-9-5-18(17-15-9)11-8-23-13-10(7-22-14(11)13)16-25(19,20)12-3-2-4-24-12/h2-5,10-11,13-14,16H,6-8H2,1H3/t10-,11-,13+,14+/m0/s1
SMILES: CC1=C(N2[C@@H]([C@H](C2=O)NC(=O)C3=NN(C=C3)C)SC1)C(=O)[O-]
InChI: InChI=1S/C13H14N4O4S/c1-6-5-22-12-8(11(19)17(12)9(6)13(20)21)14-10(18)7-3-4-16(2)15-7/h3-4,8,12H,5H2,1-2H3,(H,14,18)(H,20,21)/p-1/t8-,12+/m0/s1
SMILES: CC1([C@@H]2[C@H]([C@@](C2=C)(CC1(C)O)CO)C(C)(C)C)C
InChI: InChI=1S/C16H28O2/c1-10-11-12(13(2,3)4)16(10,9-17)8-15(7,18)14(11,5)6/h11-12,17-18H,1,8-9H2,2-7H3/t11-,12-,15?,16-/m0/s1
SMILES: CCOC(=O)C1CCN(CC1)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C18H29N3O4/c1-3-25-15(22)14-7-10-20(11-8-14)12-21-16(23)18(19-17(21)24)9-5-4-6-13(18)2/h13-14H,3-12H2,1-2H3,(H,19,24)/t13-,18-/m0/s1
SMILES: CCCCCCCCCCCCCCCCNC(CC(=O)NO)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C33H56N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-34-27(24-28(36)35-37)29-30(38-25-26-21-18-17-19-22-26)31-32(39-29)41-33(2,3)40-31/h17-19,21-22,27,29-32,34,37H,4-16,20,23-25H2,1-3H3,(H,35,36)/t27?,29-,30+,31-,32-/m1/s1
SMILES: CC(=O)N[C@@H](C#N)[C@@H]1[C@H]2[C@@H]([C@H](O1)OC)OC(O2)(C)C
InChI: InChI=1S/C12H18N2O5/c1-6(15)14-7(5-13)8-9-10(11(16-4)17-8)19-12(2,3)18-9/h7-11H,1-4H3,(H,14,15)/t7-,8+,9-,10-,11-/m0/s1
SMILES: C1[C@@]([C@H]([C@@H]([C@@H](O1)OCC2=CC=CC=C2)O)O)(C[N+](=O)[O-])O
InChI: InChI=1S/C13H17NO7/c15-10-11(16)13(17,7-14(18)19)8-21-12(10)20-6-9-4-2-1-3-5-9/h1-5,10-12,15-17H,6-8H2/t10-,11-,12+,13+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5Br)Br)O)OC)C(=O)N(C4=O)N(C)C6=C(C=CC(=N6)C(F)(F)F)Cl)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C35H26Br2Cl2F4N4O6/c1-34-18(31(50)46(33(34)52)13-4-8-21(40)20(39)10-13)11-16-14(25(34)17-12-22(53-3)28(48)27(37)26(17)36)5-6-15-24(16)32(51)47(30(15)49)45(2)29-19(38)7-9-23(44-29)35(41,42)43/h4-5,7-10,12,15-16,18,24-25,48H,6,11H2,1-3H3/t15-,16+,18-,24-,25+,34+/m0/s1
SMILES: C[C@@H]1C[C@H]([C@]2([C@@]13C[C@H]([C@@]([C@@]24COC4=O)(O)OC(=O)C)OC(=O)[C@@H]3O)O)O
InChI: InChI=1S/C16H20O10/c1-6-3-8(18)15(22)13(6)4-9(25-11(20)10(13)19)16(23,26-7(2)17)14(15)5-24-12(14)21/h6,8-10,18-19,22-23H,3-5H2,1-2H3/t6-,8-,9-,10+,13+,14-,15-,16-/m1/s1
SMILES: CC1=N[C@H]2[C@H](N1C(=O)OCC(Cl)(Cl)Cl)[C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H25Cl3N2O8/c1-12-26-20-17(27(12)21(30)32-11-22(23,24)25)19(34-14(3)29)18(33-13(2)28)16(35-20)10-31-9-15-7-5-4-6-8-15/h4-8,16-20H,9-11H2,1-3H3/t16-,17-,18+,19-,20-/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC(=O)NC5=C(C=C(C=C5)OC)OC)CCCCO)CCCCO)OCC=C)N(C)C(=O)C=CC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C48H58N4O12/c1-6-26-61-48-43(51(3)44(55)23-16-31-14-17-33(18-15-31)52(57)58)30-40(50-62-7-2)37-27-32(12-8-10-24-53)36(13-9-11-25-54)45(46(37)48)38-28-35(20-22-41(38)64-48)63-47(56)49-39-21-19-34(59-4)29-42(39)60-5/h6,14-23,27-29,32,36,43,45-46,53-54H,1,7-13,24-26,30H2,2-5H3,(H,49,56)/t32-,36+,43-,45+,46+,48+/m0/s1
SMILES: C[C@H]1[C@H]([C@@H](ON1CC2=CC=CC=C2)C)[N+](=O)[O-]
InChI: InChI=1S/C12H16N2O3/c1-9-12(14(15)16)10(2)17-13(9)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9-,10-,12+/m0/s1
SMILES: CC1=CC2=C(C([C@@H]3CCC[C@@H]3C2)(C(=O)OC)C(=O)OC)N=C1Cl
InChI: InChI=1S/C17H20ClNO4/c1-9-7-11-8-10-5-4-6-12(10)17(15(20)22-2,16(21)23-3)13(11)19-14(9)18/h7,10,12H,4-6,8H2,1-3H3/t10-,12-/m1/s1
SMILES: C1CCN2CC[C@H]3C(=C[C@@]4(CC/C=C\C1)[C@H]5[C@]3(C2)C[C@H]/6N5[C@H](O4)CCC/C=C6)C7=NC=CC8=C7NC9=CC=CC=C89
InChI: InChI=1S/C36H42N4O/c1-2-4-11-20-39-21-17-29-28(32-33-27(16-19-37-32)26-13-8-9-14-30(26)38-33)23-36(18-10-3-1)34-35(29,24-39)22-25-12-6-5-7-15-31(41-36)40(25)34/h1,3,6,8-9,12-14,16,19,23,25,29,31,34,38H,2,4-5,7,10-11,15,17-18,20-22,24H2/b3-1-,12-6-/t25-,29-,31+,34+,35-,36-/m0/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OC3CCC(CC3)C(C)(C)C)C(=O)COCC4=CC=CC=C4)C)O
InChI: InChI=1S/C33H47NO5/c1-23(35)33(5)22-34(31(36)21-38-20-24-10-8-7-9-11-24)19-28(33)25-12-17-29(37-6)30(18-25)39-27-15-13-26(14-16-27)32(2,3)4/h7-12,17-18,23,26-28,35H,13-16,19-22H2,1-6H3/t23-,26?,27?,28+,33+/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)CN2C(=O)C=NN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C17H19N3O8/c1-27-10-4-2-9(3-5-10)11(22)7-19-13(23)6-18-20(17(19)26)16-15(25)14(24)12(8-21)28-16/h2-6,12,14-16,21,24-25H,7-8H2,1H3/t12-,14-,15-,16-/m1/s1
SMILES: C[C@H]1COC2=C(C(=C[C@@H]3[C@@H]2N1C=C(C3=O)C(=O)[O-])F)F
InChI: InChI=1S/C13H11F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5-6,10H,4H2,1H3,(H,18,19)/p-1/t5-,6+,10-/m0/s1
SMILES: C[C@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)O[C@]6([C@@H](C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O
InChI: InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,35-40H,9-10H2,1-4H3/t11-,12?,27?,28+,31?,32+/m0/s1
SMILES: CC(C)(C)COC(=O)N(C)[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)OC6=CC=C(C=C6)C7=CC=CC=C7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C53H64N2O8/c1-6-31-60-53-48(55(5)51(58)59-36-52(2,3)4)34-46(54-61-35-37-17-9-7-10-18-37)44-32-40(21-13-15-29-56)43(22-14-16-30-57)49(50(44)53)45-33-42(27-28-47(45)63-53)62-41-25-23-39(24-26-41)38-19-11-8-12-20-38/h6-12,17-20,23-28,32-33,40,43,48-50,56-57H,1,13-16,21-22,29-31,34-36H2,2-5H3/t40-,43+,48-,49+,50+,53+/m0/s1
SMILES: COC1=CC=C(C=C1)O[C@@H]2[C@H](N(C2=O)C3=CC=CC=C3Cl)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C24H22ClNO5/c1-28-16-9-11-17(12-10-16)31-23-22(15-8-13-20(29-2)21(14-15)30-3)26(24(23)27)19-7-5-4-6-18(19)25/h4-14,22-23H,1-3H3/t22-,23-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)N(C)CC(=O)NC2=CC(=CC=C2)OC
InChI: InChI=1S/C20H31N3O3/c1-14-8-5-6-11-18(14)22-20(25)15(2)23(3)13-19(24)21-16-9-7-10-17(12-16)26-4/h7,9-10,12,14-15,18H,5-6,8,11,13H2,1-4H3,(H,21,24)(H,22,25)/t14-,15+,18+/m0/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C=CC6=CC(=C(C(=C6)OC)O)OC)Cl)CBr)Cl
InChI: InChI=1S/C32H27BrCl3F3N4O7/c1-41(25-19(34)8-9-22(40-25)32(37,38)39)43-26(45)16-6-5-15-17(23(16)27(43)46)12-30(35)28(47)42(13-33)29(48)31(30,36)18(15)7-4-14-10-20(49-2)24(44)21(11-14)50-3/h4-5,7-11,16-18,23,44H,6,12-13H2,1-3H3/t16-,17+,18-,23-,30+,31-/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC5=C4N=C6CCCC6=C5)C)OC7=CC=CC=C7
InChI: InChI=1S/C31H37NO/c1-30-15-13-24(33-23-8-4-3-5-9-23)19-22(30)11-12-25-26(30)14-16-31(2)27(25)18-21-17-20-7-6-10-28(20)32-29(21)31/h3-5,8-9,11,17,24-27H,6-7,10,12-16,18-19H2,1-2H3/t24-,25+,26-,27-,30-,31-/m0/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@@H]3[C@@H]2CC[C@@H]4[C@@]3(C(=O)CC5(C4)OCCO5)C)O)C
InChI: InChI=1S/C23H34O5/c1-13(24)16-6-7-17-15-5-4-14-10-23(27-8-9-28-23)12-19(26)22(14,3)20(15)18(25)11-21(16,17)2/h14-18,20,25H,4-12H2,1-3H3/t14-,15+,16+,17-,18-,20-,21+,22+/m0/s1
SMILES: C[C@]12[C@H]3[C@@H]([C@@]45CC(=C)[C@@](C4)(CC[C@H]5C3=C[C@H]([C@@H]1O)OC2=O)O)C(=O)O
InChI: InChI=1S/C19H22O6/c1-8-6-18-7-19(8,24)4-3-10(18)9-5-11-14(20)17(2,16(23)25-11)12(9)13(18)15(21)22/h5,10-14,20,24H,1,3-4,6-7H2,2H3,(H,21,22)/t10-,11+,12+,13+,14-,17-,18-,19-/m0/s1
SMILES: CCCC[C@H](CC)C(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C35H60O2/c1-8-10-14-26(9-2)33(36)37-28-19-21-34(6)27(23-28)15-16-29-31-18-17-30(25(5)13-11-12-24(3)4)35(31,7)22-20-32(29)34/h15,24-26,28-32H,8-14,16-23H2,1-7H3/t25-,26+,28+,29+,30-,31+,32+,34+,35-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=O)C=C[C@]34C)Cl
InChI: InChI=1S/C19H23ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h8,10-13H,3-7,9H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1
SMILES: CC(C)COC(=O)[C@H]1[C@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)N(C)C
InChI: InChI=1S/C25H37NO6/c1-15(2)13-31-23(28)21-19(27)12-25(5,30)22(24(29)32-14-16(3)4)20(21)17-8-10-18(11-9-17)26(6)7/h8-11,15-16,20-22,30H,12-14H2,1-7H3/t20-,21-,22-,25+/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C=C6)OCCO)Cl)CBr)Cl)(O)O
InChI: InChI=1S/C29H26BBrCl2N2O8/c31-14-34-26(39)28(32)13-21-19(23(29(28,33)27(34)40)15-4-6-18(7-5-15)43-11-10-36)8-9-20-22(21)25(38)35(24(20)37)17-3-1-2-16(12-17)30(41)42/h1-8,12,20-23,36,41-42H,9-11,13-14H2/t20-,21+,22-,23-,28+,29-/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CC(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl
InChI: InChI=1S/C19H16ClN3O3S/c20-14-8-4-3-7-13(14)15-10-27-19(21-15)22-16(24)9-23-17(25)11-5-1-2-6-12(11)18(23)26/h1-4,7-8,10-12H,5-6,9H2,(H,21,22,24)/t11-,12-/m1/s1
SMILES: C1C[C@H](OC1)CNC(=O)C2=CC=C(C=C2)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C20H22N2O4/c23-18(21-12-15-4-3-11-26-15)13-7-9-14(10-8-13)22-19(24)16-5-1-2-6-17(16)20(22)25/h1-2,7-10,15-17H,3-6,11-12H2,(H,21,23)/t15-,16+,17+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)C4SCCS4
InChI: InChI=1S/C20H23NO4S2/c22-17(25-14-7-5-13(6-8-14)20-26-11-12-27-20)9-10-21-18(23)15-3-1-2-4-16(15)19(21)24/h5-8,15-16,20H,1-4,9-12H2/t15-,16-/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CCC2[C@@]1(CCC(C2C=O)[C@]3(CC[C@@H](CC3=O)O)C)C
InChI: InChI=1S/C23H36O5/c1-14(4-7-21(27)28)17-5-6-18-16(13-24)19(9-11-22(17,18)2)23(3)10-8-15(25)12-20(23)26/h13-19,25H,4-12H2,1-3H3,(H,27,28)/t14-,15+,16?,17-,18?,19?,22-,23-/m1/s1
SMILES: CC(C)CCCC(C)[C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H](C4)CCC=C(C5=CC(=C(C(=C5)Cl)OC(=O)C)C(=O)O)C6=CC(=C(C(=C6)Cl)OC(=O)C)C(=O)O)C)C
InChI: InChI=1S/C49H64Cl2O8/c1-27(2)10-8-11-28(3)39-16-17-40-36-15-14-34-22-31(18-20-48(34,6)41(36)19-21-49(39,40)7)12-9-13-35(32-23-37(46(54)55)44(42(50)25-32)58-29(4)52)33-24-38(47(56)57)45(43(51)26-33)59-30(5)53/h13,23-28,31,34,36,39-41H,8-12,14-22H2,1-7H3,(H,54,55)(H,56,57)/t28?,31-,34?,36?,39+,40?,41?,48-,49+/m0/s1
SMILES: CCCCCNC(=O)[C@@H]1[C@H]([C@H](CN1C(=O)C2=CN=CC=C2)O)O
InChI: InChI=1S/C16H23N3O4/c1-2-3-4-8-18-15(22)13-14(21)12(20)10-19(13)16(23)11-6-5-7-17-9-11/h5-7,9,12-14,20-21H,2-4,8,10H2,1H3,(H,18,22)/t12-,13-,14-/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@@H]3[C@H]4CCCC4=C5CCC[C@@H]5[C@@H]3C2=O)C
InChI: InChI=1S/C22H25NO2/c1-12-9-10-18(13(2)11-12)23-21(24)19-16-7-3-5-14(16)15-6-4-8-17(15)20(19)22(23)25/h9-11,16-17,19-20H,3-8H2,1-2H3/t16-,17-,19-,20+/m0/s1
SMILES: C[C@@]12C[C@H]3CC[C@@H]4[C@]3(C(=C1)C(=O)O4)N(O2)C5=CC=C(C=C5)Br
InChI: InChI=1S/C17H16BrNO3/c1-16-8-10-2-7-14-17(10,13(9-16)15(20)21-14)19(22-16)12-5-3-11(18)4-6-12/h3-6,9-10,14H,2,7-8H2,1H3/t10-,14-,16-,17+/m1/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)C4=CC=CC=C4)O)O
InChI: InChI=1S/C17H18N4O3/c1-9-13(22)14(23)17(24-9)21-7-11(10-5-3-2-4-6-10)12-15(18)19-8-20-16(12)21/h2-9,13-14,17,22-23H,1H3,(H2,18,19,20)/t9-,13-,14-,17-/m1/s1
SMILES: CCC(C)C1=CC2=C(C(=C3C(=C2Cl)C[C@@H]4C5=C3C(=C6C(=O)[C@H]7[C@H](C=C[C@H]([C@H]7OC6=C5OCO4)OC)O)O)O)C(=O)N1N
InChI: InChI=1S/C30H29ClN2O9/c1-4-10(2)13-7-11-18(30(38)33(13)32)24(35)17-12(23(11)31)8-16-20-21(17)26(37)22-25(36)19-14(34)5-6-15(39-3)27(19)42-29(22)28(20)41-9-40-16/h5-7,10,14-16,19,27,34-35,37H,4,8-9,32H2,1-3H3/t10?,14-,15+,16+,19+,27+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CC(N2C(=O)[C@H]3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)N)C(=O)O
InChI: InChI=1S/C45H74N10O8/c46-23-13-12-19-33(47)40(58)53-34(20-15-25-51-45(48)49)41(59)50-24-14-6-4-2-1-3-5-7-22-39(57)52-35(29-56)42(60)54-28-32-18-9-8-16-30(32)26-37(54)43(61)55-36-21-11-10-17-31(36)27-38(55)44(62)63/h8-9,16,18,31,33-38,56H,1-7,10-15,17,19-29,46-47H2,(H,50,59)(H,52,57)(H,53,58)(H,62,63)(H4,48,49,51)/t31-,33-,34-,35-,36-,37+,38?/m0/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)Cl)O)O
InChI: InChI=1S/C11H13ClN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
SMILES: C1COCCN1C(=O)/C=C\C2=CC(=CC=C2)N3C(=O)[C@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C22H22N2O4/c25-18(23-8-10-28-11-9-23)7-4-14-2-1-3-17(12-14)24-21(26)19-15-5-6-16(13-15)20(19)22(24)27/h1-7,12,15-16,19-20H,8-11,13H2/b7-4-/t15-,16+,19-,20-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OCCCCCCO)C
InChI: InChI=1S/C18H32O7/c1-17(2)21-11-12(23-17)13-14(20-10-8-6-5-7-9-19)15-16(22-13)25-18(3,4)24-15/h12-16,19H,5-11H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1
SMILES: CC1(O[C@@H]2C[C@@]3(C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)C(=C[C@H]2O1)C(=O)OCC6=CC=CC=C6)C
InChI: InChI=1S/C31H29NO5/c1-30(2)36-26-17-24(28(33)35-20-22-13-7-4-8-14-22)31(18-27(26)37-30)23-15-9-10-16-25(23)32(29(31)34)19-21-11-5-3-6-12-21/h3-17,26-27H,18-20H2,1-2H3/t26-,27-,31-/m1/s1
SMILES: C[C@H](C[C@@H]([C@H]1[C@@H](OC(O1)(C)C)/C=C/CCO[Si](C)(C)C(C)(C)C)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OCC4=CC=C(C=C4)OC
InChI: InChI=1S/C43H64O6Si2/c1-33(45-32-34-26-28-35(44-10)29-27-34)31-39(40-38(47-43(8,9)48-40)25-19-20-30-46-50(11,12)41(2,3)4)49-51(42(5,6)7,36-21-15-13-16-22-36)37-23-17-14-18-24-37/h13-19,21-29,33,38-40H,20,30-32H2,1-12H3/b25-19+/t33-,38+,39+,40-/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(CCC)S(=O)(=O)C5=CC=C(C=C5)NC(=O)C)OCC=C
InChI: InChI=1S/C52H78N4O10S/c1-6-9-10-11-12-13-14-15-16-19-30-53-51(60)65-41-26-29-47-45(36-41)49-43(23-18-21-33-58)39(22-17-20-32-57)35-44-46(55-63-5)37-48(52(66-47,50(44)49)64-34-8-3)56(31-7-2)67(61,62)42-27-24-40(25-28-42)54-38(4)59/h8,24-29,35-36,39,43,48-50,57-58H,3,6-7,9-23,30-34,37H2,1-2,4-5H3,(H,53,60)(H,54,59)/t39-,43+,48-,49+,50+,52+/m0/s1
SMILES: COC1=NC2=C(C=CC=C2F)C(=C1)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@@H]5/C=C\CCCC[C@@H](CC(=O)N4C3)NC(=O)OC6CCCC6)C(=O)O
InChI: InChI=1S/C34H41FN4O8/c1-45-28-17-27(24-13-8-14-25(35)30(24)37-28)46-23-16-26-31(41)38-34(32(42)43)18-20(34)9-4-2-3-5-10-21(15-29(40)39(26)19-23)36-33(44)47-22-11-6-7-12-22/h4,8-9,13-14,17,20-23,26H,2-3,5-7,10-12,15-16,18-19H2,1H3,(H,36,44)(H,38,41)(H,42,43)/b9-4-/t20-,21-,23+,26-,34+/m0/s1
SMILES: CCCC(C)NC(=O)O[C@]1([C@H](CC2[C@@]1(C[C@@H](C3(C2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO
InChI: InChI=1S/C28H40FNO6/c1-6-7-17(3)30-24(35)36-28(23(34)15-31)16(2)12-21-20-9-8-18-13-19(32)10-11-25(18,4)27(20,29)22(33)14-26(21,28)5/h10-11,13,16-17,20-22,31,33H,6-9,12,14-15H2,1-5H3,(H,30,35)/t16-,17?,20?,21?,22-,25-,26-,27?,28+/m0/s1
SMILES: CCC1=C(C=C(S1)C(=O)N/N=C\C2=CC=C(O2)[C@@H]3C[C@H]3C)C
InChI: InChI=1S/C17H20N2O2S/c1-4-15-11(3)8-16(22-15)17(20)19-18-9-12-5-6-14(21-12)13-7-10(13)2/h5-6,8-10,13H,4,7H2,1-3H3,(H,19,20)/b18-9-/t10-,13-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C20H21N3O6/c1-26-14-8-11(9-15(27-2)17(14)28-3)18-22-21-16(29-18)10-23-19(24)12-6-4-5-7-13(12)20(23)25/h4-5,8-9,12-13H,6-7,10H2,1-3H3/t12-,13-/m0/s1
SMILES: CCCCCOC1=CC=C(C=C1)[C@H]2[C@@H]3C(=NC4=CC=CC=C4N2C(=O)CCC(=O)O)C[C@@H](CC3=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C34H35FN2O5/c1-2-3-6-19-42-26-15-11-23(12-16-26)34-33-28(20-24(21-30(33)38)22-9-13-25(35)14-10-22)36-27-7-4-5-8-29(27)37(34)31(39)17-18-32(40)41/h4-5,7-16,24,33-34H,2-3,6,17-21H2,1H3,(H,40,41)/t24-,33+,34-/m0/s1
SMILES: C[C@@H](C(=O)N(C)C(C1=CC=CC=C1)C2=CC=CC=C2)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C25H26N2O3/c1-17(27-24(29)20-15-9-10-16-21(20)25(27)30)23(28)26(2)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-14,17,20-22H,15-16H2,1-2H3/t17-,20-,21+/m0/s1
SMILES: CC(C)C1=C2[C@@H]3CC=C(C[C@H]([C@@]3(CC[C@]2(CC1)C)C)O[Si](C)(C)C(C)(C)C)C=O
InChI: InChI=1S/C26H44O2Si/c1-18(2)20-12-13-25(6)14-15-26(7)21(23(20)25)11-10-19(17-27)16-22(26)28-29(8,9)24(3,4)5/h10,17-18,21-22H,11-16H2,1-9H3/t21-,22+,25+,26+/m0/s1
SMILES: CC(=O)N(CC=C)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H41NO17/c1-9-10-30(13(2)31)28-27(44-19(8)37)26(43-18(7)36)24(21(45-28)12-40-15(4)33)47-29-25(42-17(6)35)22(38)23(41-16(5)34)20(46-29)11-39-14(3)32/h9,20-29,38H,1,10-12H2,2-8H3/t20-,21-,22+,23+,24-,25-,26+,27-,28-,29+/m1/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H21NO4/c1-14-11-12-19(18(13-14)20(24)15-7-3-2-4-8-15)23-21(25)16-9-5-6-10-17(16)22(26)27/h2-8,11-13,16-17H,9-10H2,1H3,(H,23,25)(H,26,27)/t16-,17+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC2=C(C1=O)[C@H](C(=C(N2)C)C(=O)OCC)C3=C(C=C(C=C3)OC)OC)C4=CC(=CC=C4)OC
InChI: InChI=1S/C31H35NO8/c1-7-39-30(34)25-17(3)32-23-16-22(18-10-9-11-19(14-18)36-4)27(31(35)40-8-2)29(33)28(23)26(25)21-13-12-20(37-5)15-24(21)38-6/h9-15,22,26-27,32H,7-8,16H2,1-6H3/t22-,26+,27-/m1/s1
SMILES: CC[C@]1([C@H]2[C@@H]([C@@H](N1)C3=CC=CC=C3F)C(=O)N(C2=O)CC)C(=O)OC
InChI: InChI=1S/C18H21FN2O4/c1-4-18(17(24)25-3)13-12(15(22)21(5-2)16(13)23)14(20-18)10-8-6-7-9-11(10)19/h6-9,12-14,20H,4-5H2,1-3H3/t12-,13-,14-,18-/m0/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=C(C(=CC=C6)OC)O)Cl)C)Cl)(O)O
InChI: InChI=1S/C28H25BCl2N2O8/c1-32-25(37)27(30)12-18-15(21(28(27,31)26(32)38)17-7-4-8-19(41-2)22(17)34)9-10-16-20(18)24(36)33(23(16)35)14-6-3-5-13(11-14)29(39)40/h3-9,11,16,18,20-21,34,39-40H,10,12H2,1-2H3/t16-,18+,20-,21+,27+,28-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[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)N(C4=O)C8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C44H38Cl2F3N5O8/c1-60-33-17-22(18-34(61-2)37(33)55)36-28-11-12-29-35(41(58)53(39(29)56)27-9-7-26(8-10-27)52-13-15-62-16-14-52)30(28)20-31-40(57)54(42(59)43(31,36)23-3-5-25(45)6-4-23)51-38-32(46)19-24(21-50-38)44(47,48)49/h3-11,17-19,21,29-31,35-36,55H,12-16,20H2,1-2H3,(H,50,51)/t29-,30+,31-,35-,36-,43+/m0/s1
SMILES: CC1=CC=CC=C1O[C@@H]2[C@H](N(C2=O)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C24H22FNO4/c1-15-6-4-5-7-19(15)30-23-22(16-8-13-20(28-2)21(14-16)29-3)26(24(23)27)18-11-9-17(25)10-12-18/h4-14,22-23H,1-3H3/t22-,23-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)OCC(=O)NC3=CC(=C(C=C3)F)F
InChI: InChI=1S/C17H19F2NO3/c18-14-4-3-13(8-15(14)19)20-16(21)9-23-17(22)7-12-6-10-1-2-11(12)5-10/h3-4,8,10-12H,1-2,5-7,9H2,(H,20,21)/t10-,11+,12+/m0/s1
SMILES: CCCCCCCCCCCCCC[C@@H]1[C@@H](OC(O1)(C)C)COC(=O)C(C)(C)C
InChI: InChI=1S/C25H48O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22(29-25(5,6)28-21)20-27-23(26)24(2,3)4/h21-22H,7-20H2,1-6H3/t21-,22+/m1/s1
SMILES: CC(=C)C1=CC2=C(O1)C=CC3=C2O[C@@H]4[C@H]3COC5=C4C=CC(=C5)O
InChI: InChI=1S/C20H16O4/c1-10(2)17-8-14-16(23-17)6-5-12-15-9-22-18-7-11(21)3-4-13(18)20(15)24-19(12)14/h3-8,15,20-21H,1,9H2,2H3/t15-,20-/m0/s1
SMILES: CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C4=CC=C(C=C4)Cl)O2
InChI: InChI=1S/C19H20ClNO4/c1-2-3-10-24-18(23)15-14-8-9-19(25-14)11-21(17(22)16(15)19)13-6-4-12(20)5-7-13/h4-9,14-16H,2-3,10-11H2,1H3/t14-,15-,16+,19-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)O[C@H]3[C@@]24COC([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O)OC(=O)C
InChI: InChI=1S/C22H28O9/c1-8-5-12(24)17(26)20(4)11(8)6-13-21-7-29-22(28,19(20)21)16(25)9(2)14(21)15(18(27)31-13)30-10(3)23/h5,9,11,13-17,19,25-26,28H,6-7H2,1-4H3/t9-,11+,13-,14-,15-,16-,17-,19-,20-,21+,22?/m1/s1
SMILES: C1[C@H](C=C2[C@H](C1=O)[C@H](N3C(=NC=N3)N2)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F
InChI: InChI=1S/C21H16ClFN4O/c22-15-5-1-13(2-6-15)20-19-17(26-21-24-11-25-27(20)21)9-14(10-18(19)28)12-3-7-16(23)8-4-12/h1-9,11,14,19-20H,10H2,(H,24,25,26)/t14-,19+,20+/m0/s1
SMILES: CCCOC1=CC=CC=C1N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)N(C)C
InChI: InChI=1S/C28H29N3O4/c1-4-18-34-23-13-9-8-12-22(23)30-27(32)24-25(19-14-16-20(17-15-19)29(2)3)31(35-26(24)28(30)33)21-10-6-5-7-11-21/h5-17,24-26H,4,18H2,1-3H3/t24-,25+,26+/m0/s1
SMILES: C[Si](C)(C)[C@H]1[C@H](N(C1=O)[Si](C)(C)C)[Si](C)(C)C
InChI: InChI=1S/C12H29NOSi3/c1-15(2,3)10-11(14)13(17(7,8)9)12(10)16(4,5)6/h10,12H,1-9H3/t10-,12-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)[C@H](C)OCC3=CC=CC=C3)CC(=O)O
InChI: InChI=1S/C20H24N2O6/c1-12-10-22(20(26)21-19(12)25)16-8-15(9-17(23)24)18(28-16)13(2)27-11-14-6-4-3-5-7-14/h3-7,10,13,15-16,18H,8-9,11H2,1-2H3,(H,23,24)(H,21,25,26)/t13-,15+,16+,18+/m0/s1
SMILES: C1CN[C@H]([C@H]1NCC2=C(C=CC(=C2)N3C(=NN=N3)C(F)(F)F)O)C4=CC=CC=C4
InChI: InChI=1S/C19H19F3N6O/c20-19(21,22)18-25-26-27-28(18)14-6-7-16(29)13(10-14)11-24-15-8-9-23-17(15)12-4-2-1-3-5-12/h1-7,10,15,17,23-24,29H,8-9,11H2/t15-,17-/m0/s1
SMILES: CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@H]3N(C2=O)C(=C(CS3)/C=C/C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
InChI: InChI=1S/C24H21N7O11S2/c1-24(2,22(36)37)42-28-15(13-9-44-23(25)26-13)18(32)27-16-19(33)29-17(21(34)35)11(8-43-20(16)29)4-3-10-5-6-12(30(38)39)7-14(10)31(40)41/h3-7,9,16,20H,8H2,1-2H3,(H2,25,26)(H,27,32)(H,34,35)(H,36,37)/b4-3+,28-15-/t16-,20+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=C(C=C4)Br)Cl
InChI: InChI=1S/C15H11BrClNO2/c16-10-4-3-9(6-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,12-13H,5H2/t7-,8+,12+,13-
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H40N2O22S2/c1-13(37)49-11-23-27(51-15(3)39)29(53-17(5)41)31(55-19(7)43)33(57-23)59-25-10-26(22(36(47)48)9-21(25)35(45)46)60-34-32(56-20(8)44)30(54-18(6)42)28(52-16(4)40)24(58-34)12-50-14(2)38/h9-10,23-24,27-34H,11-12H2,1-8H3/t23-,24-,27+,28+,29+,30+,31-,32-,33+,34+/m1/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)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C48H48O5S/c1-2-54-47-46(51-35-39-25-13-5-14-26-39)45(50-34-38-23-11-4-12-24-38)44(49-33-37-21-9-3-10-22-37)43(53-47)36-52-48(40-27-15-6-16-28-40,41-29-17-7-18-30-41)42-31-19-8-20-32-42/h3-32,43-47H,2,33-36H2,1H3/t43-,44+,45+,46-,47-/m1/s1
SMILES: CC(C1=CC[C@@]23C1(C[C@H](C45C2=CC[C@H]6[C@@]4(CC[C@@](C6)(O5)O)C)O)CN(CCO3)C)OC(=O)C7=CC=CC=C7NC
InChI: InChI=1S/C32H42N2O6/c1-20(39-27(36)22-7-5-6-8-24(22)33-3)23-11-12-31-25-10-9-21-17-30(37)14-13-28(21,2)32(25,40-30)26(35)18-29(23,31)19-34(4)15-16-38-31/h5-8,10-11,20-21,26,33,35,37H,9,12-19H2,1-4H3/t20?,21-,26-,28+,29?,30+,31+,32?/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C26H24O6S2/c27-33(28,21-12-6-2-7-13-21)24-23-16-17-26(32-23,19-31-18-20-10-4-1-5-11-20)25(24)34(29,30)22-14-8-3-9-15-22/h1-17,23-25H,18-19H2/t23-,24-,25+,26-/m1/s1
SMILES: C[C@H]1[C@@](NC(=N1)C2=CN(C(=O)C=C2)OC)(C3=CC=C(C=C3)F)C4=CC(=NC=C4)F
InChI: InChI=1S/C21H18F2N4O2/c1-13-21(15-4-6-17(22)7-5-15,16-9-10-24-18(23)11-16)26-20(25-13)14-3-8-19(28)27(12-14)29-2/h3-13H,1-2H3,(H,25,26)/t13-,21+/m0/s1
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC(=CC=C5)C=CC(=O)N(C)C)OC(O4)(C6CC6)C7CC7)O
InChI: InChI=1S/C34H44N4O10/c1-18(40)25(30(42)35-13-14-39)36-32(44)33-16-23-26-27(47-34(46-26,21-8-9-21)22-10-11-22)29(33)48-38(28(33)31(43)45-23)17-20-6-4-5-19(15-20)7-12-24(41)37(2)3/h4-7,12,15,18,21-23,25-29,39-40H,8-11,13-14,16-17H2,1-3H3,(H,35,42)(H,36,44)/t18-,23+,25+,26-,27-,28-,29+,33-/m0/s1