EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN1CC[C@]23[C@H]\4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O)C/C4=C\C6=CC=CC=C6
InChI: InChI=1S/C27H29NO3/c1-28-13-12-27-23-19(14-17-6-4-3-5-7-17)16-26(27,11-10-20(23)29)22(28)15-18-8-9-21(31-2)25(30)24(18)27/h3-9,14,22-23,30H,10-13,15-16H2,1-2H3/b19-14+/t22-,23-,26-,27-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN([C@@H]3[C@H]2OCCO3)S(=O)(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C20H24N2O6S2/c1-15-3-7-17(8-4-15)29(23,24)21-11-12-22(20-19(21)27-13-14-28-20)30(25,26)18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3/t19-,20+
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@@H](CC1=CC=CC=C1)N(C)C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC(=CC=C6)C=CC(=O)OCC(F)(F)F)OCO5
InChI: InChI=1S/C41H48F3N3O12/c1-39(2,3)58-31(50)16-14-27(21-48)45-36(51)28(18-24-9-6-5-7-10-24)46(4)38(53)40-19-29-32-33(56-23-55-32)35(40)59-47(34(40)37(52)57-29)20-26-12-8-11-25(17-26)13-15-30(49)54-22-41(42,43)44/h5-13,15,17,27-29,32-35,48H,14,16,18-23H2,1-4H3,(H,45,51)/t27-,28+,29+,32-,33-,34-,35+,40-/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)OS(=O)(=O)O)O)O)OS(=O)(=O)O
InChI: InChI=1S/C6H12O12S2/c7-3-2(1-16-19(10,11)12)17-6(9)5(4(3)8)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3+,4+,5-,6?/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC[C@]4([C@H]3CC5=C(O4)C=CC(=C5)OC)C)C)(C)C
InChI: InChI=1S/C27H40O2/c1-24(2)12-7-13-25(3)21(24)10-14-26(4)22(25)11-15-27(5)23(26)17-18-16-19(28-6)8-9-20(18)29-27/h8-9,16,21-23H,7,10-15,17H2,1-6H3/t21-,22+,23-,25-,26+,27-/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2C[C@]34C=C[C@H](O3)[C@H]([C@@H]4C2=O)C(=O)O
InChI: InChI=1S/C17H17NO4/c1-10(11-5-3-2-4-6-11)18-9-17-8-7-12(22-17)13(16(20)21)14(17)15(18)19/h2-8,10,12-14H,9H2,1H3,(H,20,21)/t10-,12-,13+,14+,17-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)[C@@H](O3)C(=O)NN)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H44N4O7Si2/c1-14-12-28(21(31)26-18(14)29)20-17(35-37(10,11)23(5,6)7)24(16(34-24)19(30)27-25)15(33-20)13-32-36(8,9)22(2,3)4/h12,15-17,20H,13,25H2,1-11H3,(H,27,30)(H,26,29,31)/t15-,16+,17+,20-,24?/m1/s1
SMILES: C[C@]12CC[C@@H]3C4=C(CC[C@]3([C@@H]1CC[C@@H]2O)C=C)C=C(C=C4)O
InChI: InChI=1S/C20H26O2/c1-3-20-11-8-13-12-14(21)4-5-15(13)16(20)9-10-19(2)17(20)6-7-18(19)22/h3-5,12,16-18,21-22H,1,6-11H2,2H3/t16-,17-,18+,19+,20-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@]2(C13[C@H](C(C[C@@H]2OC(=O)C4=CC=CC=C4)C(O3)(C)C)OC(=O)C5=CC=CC=C5)C)OC(=O)C
InChI: InChI=1S/C31H36O7/c1-19-16-17-24(35-20(2)32)30(5)25(36-27(33)21-12-8-6-9-13-21)18-23-26(31(19,30)38-29(23,3)4)37-28(34)22-14-10-7-11-15-22/h6-15,19,23-26H,16-18H2,1-5H3/t19-,23?,24+,25+,26+,30+,31?/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](OC(=O)[C@H]3N2[C@@H]([C@@]4([C@@H]3C(=O)NC[C@@H](C5=CC=CC=C5)O)C6=C(C=CC(=C6)C#CCNC(=O)N)NC4=O)C7=CC=C(C=C7)OCCO)C8=CC=CC=C8
InChI: InChI=1S/C47H43N5O8/c48-46(58)49-24-10-11-29-18-23-36-35(27-29)47(45(57)51-36)38(43(55)50-28-37(54)30-12-4-1-5-13-30)40-44(56)60-41(32-16-8-3-9-17-32)39(31-14-6-2-7-15-31)52(40)42(47)33-19-21-34(22-20-33)59-26-25-53/h1-9,12-23,27,37-42,53-54H,24-26,28H2,(H,50,55)(H,51,57)(H3,48,49,58)/t37-,38-,39-,40-,41+,42+,47-/m0/s1
SMILES: C/C(=C\[C@H]1[C@@H](OC(=O)O1)COCC2=CC=CC=C2)/C=C/C(=O)OC
InChI: InChI=1S/C18H20O6/c1-13(8-9-17(19)21-2)10-15-16(24-18(20)23-15)12-22-11-14-6-4-3-5-7-14/h3-10,15-16H,11-12H2,1-2H3/b9-8+,13-10+/t15-,16-/m0/s1
SMILES: C1=CC(=C(C=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O
InChI: InChI=1S/C30H26O15/c31-14-9-19(36)23-20(10-14)43-28(13-3-5-16(33)18(35)8-13)29(25(23)39)45-30-27(41)26(40)24(38)21(44-30)11-42-22(37)6-2-12-1-4-15(32)17(34)7-12/h1-10,21,24,26-27,30-36,38,40-41H,11H2/b6-2+/t21-,24-,26+,27-,30+/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C17H17NO4/c19-15(22-11-12-6-2-1-3-7-12)10-18-16(20)13-8-4-5-9-14(13)17(18)21/h1-7,13-14H,8-11H2/t13-,14+
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@@H]3C[NH+](C)C[C@H](C4=CC=C(C=C4)O)O
InChI: InChI=1S/C24H33NO4/c1-15-5-4-10-24(2)12-22-18(11-20(15)24)19(23(28)29-22)13-25(3)14-21(27)16-6-8-17(26)9-7-16/h6-9,18-19,21-22,26-27H,4-5,10-14H2,1-3H3/p+1/t18-,19-,21-,22-,24-/m1/s1
SMILES: C1C[C@H]([C@@H](CC1)N/C=C/2\C(=O)C=CC=C2)N/C=C/3\C(=O)C=CC=C3.[Cu]
InChI: InChI=1S/C20H22N2O2.Cu/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-2,5-8,11-14,17-18,21-22H,3-4,9-10H2;/b15-13-,16-14-;/t17-,18-;/m1./s1
SMILES: C1[C@H]2[C@H]3CC4=NN([C@H]([C@@H]41)CC2=NN3CC5=CC=CC=C5)CC6=CC=CC=C6
InChI: InChI=1S/C23H24N4/c1-3-7-16(8-4-1)14-26-22-12-21-19-11-18(22)20(24-26)13-23(19)27(25-21)15-17-9-5-2-6-10-17/h1-10,18-19,22-23H,11-15H2/t18-,19-,22-,23+/m1/s1
SMILES: CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-]
InChI: InChI=1S/C22H26N2O3S/c1-12(2)9-13-3-5-14(6-4-13)17-11-28-22(23-17)24-20(25)18-15-7-8-16(10-15)19(18)21(26)27/h3-6,11-12,15-16,18-19H,7-10H2,1-2H3,(H,26,27)(H,23,24,25)/p-1/t15-,16+,18+,19+/m1/s1
SMILES: CC(=C)[C@@H]1C[C@@H]2[C@@](O2)(C(C1)OC(=S)OC3=CC=CC=C3)C
InChI: InChI=1S/C17H20O3S/c1-11(2)12-9-14(17(3)15(10-12)20-17)19-16(21)18-13-7-5-4-6-8-13/h4-8,12,14-15H,1,9-10H2,2-3H3/t12-,14?,15+,17-/m0/s1
SMILES: CC(=C)C(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H25NO10/c1-8(2)17(24)19-14-16(27-11(5)22)15(26-10(4)21)13(7-25-9(3)20)29-18(14)28-12(6)23/h13-16,18H,1,7H2,2-6H3,(H,19,24)/t13-,14-,15-,16-,18-/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)OC6=CC=C(C=C6)SC)OCC=C)CCCCO)CCCCO)C(=O)CCC7CCCC7
InChI: InChI=1S/C50H64N2O7S/c1-4-30-56-50-46(52(2)47(55)27-20-35-14-8-9-15-35)33-44(51-57-34-36-16-6-5-7-17-36)42-31-37(18-10-12-28-53)41(19-11-13-29-54)48(49(42)50)43-32-39(23-26-45(43)59-50)58-38-21-24-40(60-3)25-22-38/h4-7,16-17,21-26,31-32,35,37,41,46,48-49,53-54H,1,8-15,18-20,27-30,33-34H2,2-3H3/t37-,41+,46-,48+,49+,50+/m0/s1
SMILES: COC1=C(C(=CC(=C1)CO)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(C3CCCCCC3)C(=O)C4=CC5=CC=CC=C5OC4=O)C(=O)NCCO
InChI: InChI=1S/C34H39IN2O9/c1-44-29-15-20(19-39)14-25(35)31(29)45-28-18-22(32(41)36-12-13-38)17-26(30(28)40)37(23-9-4-2-3-5-10-23)33(42)24-16-21-8-6-7-11-27(21)46-34(24)43/h6-8,11,14-16,18,23,26,28,30,38-40H,2-5,9-10,12-13,17,19H2,1H3,(H,36,41)/t26-,28+,30+/m1/s1
SMILES: C[C@H](CC[C@@H]1[C@@H]2[C@H](C(=O)O1)OC(O2)(C)C)[C@H]3CC[C@]4([C@H]3CC[C@@]5([C@@H]4CC[C@H]6[C@]5(CCC7[C@@]6(CCCC7(C)C)C)C)C)C
InChI: InChI=1S/C38H62O4/c1-23(11-12-26-30-31(32(39)40-26)42-34(4,5)41-30)24-15-20-35(6)25(24)16-21-37(8)28(35)13-14-29-36(7)19-10-18-33(2,3)27(36)17-22-38(29,37)9/h23-31H,10-22H2,1-9H3/t23-,24-,25+,26-,27?,28-,29-,30-,31-,35+,36+,37-,38-/m1/s1
SMILES: C/C=C\1/CN2CCC34[C@@]2([C@@H]5CC1C3([C@@H](O5)O)C(=O)OC)N(C6=CC=CC=C46)C
InChI: InChI=1S/C22H26N2O4/c1-4-13-12-24-10-9-20-14-7-5-6-8-16(14)23(2)22(20,24)17-11-15(13)21(20,18(25)27-3)19(26)28-17/h4-8,15,17,19,26H,9-12H2,1-3H3/b13-4-/t15?,17-,19+,20?,21?,22-/m0/s1
SMILES: CC1=C(C=C(C=C1)OC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C
InChI: InChI=1S/C19H21NO4/c1-12-7-8-14(11-13(12)2)24-17(21)9-10-20-18(22)15-5-3-4-6-16(15)19(20)23/h3-4,7-8,11,15-16H,5-6,9-10H2,1-2H3/t15-,16-/m1/s1
SMILES: CC1=CC(=C(C2=C1CC[C@@H]([C@H]2O)[C@H](C)C(=O)NCC3=CN=CC=C3)C)OCC=C
InChI: InChI=1S/C24H30N2O3/c1-5-11-29-21-12-15(2)19-8-9-20(23(27)22(19)17(21)4)16(3)24(28)26-14-18-7-6-10-25-13-18/h5-7,10,12-13,16,20,23,27H,1,8-9,11,14H2,2-4H3,(H,26,28)/t16-,20+,23+/m0/s1
SMILES: CC1=C(SC=C1)C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)[O-])O3
InChI: InChI=1S/C14H16N2O5S/c1-6-4-5-22-11(6)13(18)16-15-12(17)9-7-2-3-8(21-7)10(9)14(19)20/h4-5,7-10H,2-3H2,1H3,(H,15,17)(H,16,18)(H,19,20)/p-1/t7-,8+,9-,10+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4[C@@]3(CCC(=O)C4)C
InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12?,14-,15-,16-,17+,18-,19-/m0/s1
SMILES: COCOC1=CC(=CC(=C1C(=O)[C@H]2[C@@H](O2)C3=CC=C(C=C3)OC)OC)OC
InChI: InChI=1S/C20H22O7/c1-22-11-26-16-10-14(24-3)9-15(25-4)17(16)18(21)20-19(27-20)12-5-7-13(23-2)8-6-12/h5-10,19-20H,11H2,1-4H3/t19-,20-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)[NH+]2CN=C3N(C2)C(=O)/C(=C\C(=O)OC)/S3
InChI: InChI=1S/C16H23N3O3S/c1-10-5-4-6-12(11(10)2)18-8-17-16-19(9-18)15(21)13(23-16)7-14(20)22-3/h7,10-12H,4-6,8-9H2,1-3H3/p+1/b13-7+/t10-,11-,12-/m1/s1
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)[C@H]3[C@H]4CC=C[C@H]4C5=C(N3)C=CC(=C5)C67CC8CC(C6)CC(C8)C7
InChI: InChI=1S/C32H38N2O3S/c35-38(36,34-10-12-37-13-11-34)26-7-4-24(5-8-26)31-28-3-1-2-27(28)29-17-25(6-9-30(29)33-31)32-18-21-14-22(19-32)16-23(15-21)20-32/h1-2,4-9,17,21-23,27-28,31,33H,3,10-16,18-20H2/t21?,22?,23?,27-,28+,31+,32?/m1/s1
SMILES: CS(=O)(=O)[C@H]1[C@H](N(C(=O)C1=N)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C17H16N2O3S/c1-23(21,22)16-14(18)17(20)19(13-10-6-3-7-11-13)15(16)12-8-4-2-5-9-12/h2-11,15-16,18H,1H3/t15-,16-/m1/s1
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C22H26N2O5/c1-3-14-8-7-9-15(4-2)20(14)23-18(25)13-29-19(26)12-24-21(27)16-10-5-6-11-17(16)22(24)28/h5-9,16-17H,3-4,10-13H2,1-2H3,(H,23,25)/t16-,17-/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3)C(C)C
InChI: InChI=1S/C20H28N4O2S/c1-13(2)16-6-5-14(3)11-17(16)26-18(25)12-27-20-23-22-19(24(20)4)15-7-9-21-10-8-15/h7-10,13-14,16-17H,5-6,11-12H2,1-4H3/t14-,16-,17-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)C3=CC4=C(C=C3)C(=O)C5=C4C=C(C=C5)C[N+]6=CN(C=C6)CC7=CC=CC=C7)O
InChI: InChI=1S/C33H27N3O5/c1-19(37)29-28-15-25(30(33(40)41)36(28)32(29)39)22-8-10-24-27(14-22)26-13-21(7-9-23(26)31(24)38)17-35-12-11-34(18-35)16-20-5-3-2-4-6-20/h2-14,18-19,28-29,37H,15-17H2,1H3/p+1/t19-,28-,29-/m1/s1
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)[C@@H]4CCCC[C@H]4C(=O)O
InChI: InChI=1S/C22H22N2O3S/c1-13-6-11-18-19(12-13)28-21(24-18)14-7-9-15(10-8-14)23-20(25)16-4-2-3-5-17(16)22(26)27/h6-12,16-17H,2-5H2,1H3,(H,23,25)(H,26,27)/t16-,17-/m1/s1
SMILES: CCC[C@H]1[C@H](N[C@H](C[C@@]1(CC=C)O)C2=CC=CO2)C3=CC=CO3
InChI: InChI=1S/C19H25NO3/c1-3-7-14-18(17-9-6-12-23-17)20-15(16-8-5-11-22-16)13-19(14,21)10-4-2/h4-6,8-9,11-12,14-15,18,20-21H,2-3,7,10,13H2,1H3/t14-,15+,18-,19+/m0/s1
SMILES: CCN(CCCCNC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC3C4CCC5=C(C4CC[C@@]3([C@@H]2O)C)C=CC(=C5)O)O)O)O)C6=CC7=C(C=C6)C(=O)NNC7=O
InChI: InChI=1S/C38H50N4O10/c1-3-42(20-7-10-25-26(17-20)35(49)41-40-34(25)48)15-5-4-14-39-36(50)32-30(45)29(44)31(46)37(52-32)51-28-18-27-24-9-6-19-16-21(43)8-11-22(19)23(24)12-13-38(27,2)33(28)47/h7-8,10-11,16-17,23-24,27-33,37,43-47H,3-6,9,12-15,18H2,1-2H3,(H,39,50)(H,40,48)(H,41,49)/t23?,24?,27?,28-,29-,30-,31+,32-,33+,37+,38-/m0/s1
SMILES: COC1=C(C=CC(=C1)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=CC=C6)O
InChI: InChI=1S/C30H25BrCl2N2O6/c1-41-23-13-16(8-12-22(23)36)7-11-21-18-9-10-19-24(26(38)35(25(19)37)17-5-3-2-4-6-17)20(18)14-29(32)27(39)34(15-31)28(40)30(21,29)33/h2-9,11-13,19-21,24,36H,10,14-15H2,1H3/t19-,20+,21-,24-,29+,30-/m0/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@H]3C[C@H](O[C@H](O3)C4=CC=C(C=C4)NC(=O)CCCCCC(=O)O)C5=CC=C(C=C5)CO
InChI: InChI=1S/C39H55N3O7/c1-39(2,3)41-37(47)33-22-19-27-9-7-8-10-32(27)42(33)24-31-23-34(28-15-13-26(25-43)14-16-28)49-38(48-31)29-17-20-30(21-18-29)40-35(44)11-5-4-6-12-36(45)46/h13-18,20-21,27,31-34,38,43H,4-12,19,22-25H2,1-3H3,(H,40,44)(H,41,47)(H,45,46)/t27-,31-,32-,33-,34+,38+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O
InChI: InChI=1S/C15H14ClNO4/c16-12-6-5-8(7-11(12)15(20)21)17-13(18)9-3-1-2-4-10(9)14(17)19/h5-7,9-10H,1-4H2,(H,20,21)/t9-,10+
SMILES: CCOC(=O)[C@H]1[C@@H](C[C@@]2(CC1=O)[C@H](C(=NO2)C)[N+](=O)[O-])C3=CC=CC=C3Cl
InChI: InChI=1S/C18H19ClN2O6/c1-3-26-17(23)15-12(11-6-4-5-7-13(11)19)8-18(9-14(15)22)16(21(24)25)10(2)20-27-18/h4-7,12,15-16H,3,8-9H2,1-2H3/t12-,15-,16-,18+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](N1)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
InChI: InChI=1S/C17H31N3O4/c1-6-24-17(23)14-13(20-14)16(22)19-12(9-11(4)5)15(21)18-8-7-10(2)3/h10-14,20H,6-9H2,1-5H3,(H,18,21)(H,19,22)/t12-,13+,14+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](NC(=S)N[C@@]1(C(F)(F)F)O)C2=C(C=CC(=C2)[N+](=O)[O-])O
InChI: InChI=1S/C14H14F3N3O6S/c1-2-26-11(22)9-10(7-5-6(20(24)25)3-4-8(7)21)18-12(27)19-13(9,23)14(15,16)17/h3-5,9-10,21,23H,2H2,1H3,(H2,18,19,27)/t9-,10+,13-/m1/s1
SMILES: CCCCOC(=O)C(C(=O)OCCCC)[C@]1(CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)OC)C)OC=O)OC=O)C)C5=CC=C(C=C5)CN=[N+]=[N-]
InChI: InChI=1S/C45H65N3O10/c1-7-9-21-55-41(52)40(42(53)56-22-10-8-2)45(31-14-12-30(13-15-31)26-47-48-46)20-19-43(4)32(25-45)23-36(57-27-49)39-34-17-16-33(29(3)11-18-38(51)54-6)44(34,5)37(58-28-50)24-35(39)43/h12-15,27-29,32-37,39-40H,7-11,16-26H2,1-6H3/t29-,32-,33-,34+,35+,36-,37+,39+,43+,44-,45+/m1/s1
SMILES: CC1=C(C(=O)[C@@]2([C@H](C1=O)C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C5=CC=CC=C5)[C@@H]2C6=C(C=CC(=C6)OC(F)(F)F)O)C)C
InChI: InChI=1S/C30H26F3N3O6/c1-15-16(2)26(39)29(3)21(25(15)38)14-22-19(24(29)20-13-18(9-10-23(20)37)42-30(31,32)33)11-12-34-27(40)35(28(41)36(22)34)17-7-5-4-6-8-17/h4-11,13,21-22,24,37H,12,14H2,1-3H3/t21-,22+,24+,29+/m0/s1
SMILES: C1CCOC(C1)O[C@@H]2C[C@@H]([C@@H]([C@H]2/C=C/[C@H](CCC3=CC=CC=C3)OC4CCCCO4)CC(CO)O)O
InChI: InChI=1S/C29H44O7/c30-20-22(31)18-25-24(27(19-26(25)32)36-29-11-5-7-17-34-29)15-14-23(35-28-10-4-6-16-33-28)13-12-21-8-2-1-3-9-21/h1-3,8-9,14-15,22-32H,4-7,10-13,16-20H2/b15-14+/t22?,23-,24+,25+,26-,27+,28?,29?/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C[C@H]2[C@@H]1CC(O2)O)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C21H40O4Si/c1-7-8-9-10-15(22)11-12-16-17-13-20(23)24-18(17)14-19(16)25-26(5,6)21(2,3)4/h11-12,15-20,22-23H,7-10,13-14H2,1-6H3/b12-11+/t15-,16-,17+,18-,19+,20?/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=CC=C5)O)C(=O)N(C4=O)CCC(=O)O)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C30H26ClFN2O7/c1-30-20(27(39)34(29(30)41)15-5-8-22(32)21(31)12-15)13-19-17(25(30)14-3-2-4-16(35)11-14)6-7-18-24(19)28(40)33(26(18)38)10-9-23(36)37/h2-6,8,11-12,18-20,24-25,35H,7,9-10,13H2,1H3,(H,36,37)/t18-,19+,20-,24-,25-,30+/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(=C(C(=C6)Br)O)OC)C(=O)N(C5=O)CCC(=O)O)C(=O)N(C3=O)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C37H32BrCl2N3O9/c1-51-20-6-3-18(4-7-20)37-24(34(48)43(36(37)50)41-27-10-5-19(39)15-26(27)40)16-23-21(31(37)17-13-25(38)32(46)28(14-17)52-2)8-9-22-30(23)35(49)42(33(22)47)12-11-29(44)45/h3-8,10,13-15,22-24,30-31,41,46H,9,11-12,16H2,1-2H3,(H,44,45)/t22-,23+,24-,30-,31-,37+/m0/s1
SMILES: CC(CC/C=C(/C)\C=O)[C@H]1CCC2([C@@]1(CC[C@]34C2CCC5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
InChI: InChI=1S/C30H48O2/c1-20(18-31)8-7-9-21(2)22-12-14-28(6)24-11-10-23-26(3,4)25(32)13-15-29(23)19-30(24,29)17-16-27(22,28)5/h8,18,21-25,32H,7,9-17,19H2,1-6H3/b20-8-/t21?,22-,23?,24?,25+,27-,28?,29-,30+/m1/s1
SMILES: C[C@H](CC1=CC=CC=C1)[C@@H](C(=C)CC[C@@]23[C@@H]([C@H]([C@@](O2)([C@@]([C@H](O3)C4=NN=C(O4)NC)(C(=O)O)O)C(=O)O)O)O)OC(=O)C
InChI: InChI=1S/C27H33N3O12/c1-13(17(39-15(3)31)14(2)12-16-8-6-5-7-9-16)10-11-25-18(32)19(33)27(42-25,23(36)37)26(38,22(34)35)20(41-25)21-29-30-24(28-4)40-21/h5-9,14,17-20,32-33,38H,1,10-12H2,2-4H3,(H,28,30)(H,34,35)(H,36,37)/t14-,17-,18-,19-,20-,25+,26-,27+/m1/s1
SMILES: C1=CC=C2C3[C@@H]([C@@H](C(C2=C1)C4=CC=CC=C34)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-])C(=O)O
InChI: InChI=1S/C24H18N2O5/c27-23(25-13-6-5-7-14(12-13)26(30)31)21-19-15-8-1-3-10-17(15)20(22(21)24(28)29)18-11-4-2-9-16(18)19/h1-12,19-22H,(H,25,27)(H,28,29)/t19?,20?,21-,22+/m1/s1
SMILES: C[C@@H](C1=CN(N=N1)[C@@H](CC2=CC=CC=C2)CO)ON=C(C)CCC(=O)OC[C@@H]3[C@H](C=C[C@H](O3)C4=CC=CC=C4)OC5=CC=C(C=C5)OC
InChI: InChI=1S/C37H42N4O7/c1-26(39-48-27(2)33-23-41(40-38-33)30(24-42)22-28-10-6-4-7-11-28)14-21-37(43)45-25-36-35(46-32-17-15-31(44-3)16-18-32)20-19-34(47-36)29-12-8-5-9-13-29/h4-13,15-20,23,27,30,34-36,42H,14,21-22,24-25H2,1-3H3/t27-,30-,34-,35-,36+/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)NC(=O)C4=NC5=CC=CC=C5N=C4)CN6CCOCC6
InChI: InChI=1S/C32H34N4O5/c1-21-29(19-36-14-16-39-17-15-36)40-32(41-30(21)23-8-6-22(20-37)7-9-23)24-10-12-25(13-11-24)34-31(38)28-18-33-26-4-2-3-5-27(26)35-28/h2-13,18,21,29-30,32,37H,14-17,19-20H2,1H3,(H,34,38)/t21-,29+,30+,32+/m0/s1
SMILES: CC1([C@@H]2C[C@@]34CCCN3C(=O)[C@]2(C[C@@]15C(=O)C6=CC=CC=C6N5)NC4=O)C
InChI: InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)/t14-,19+,20+,21+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]([C@@H]([C@H]1CCC(CSC2=CC=CC=C2)O)CCCCCCC(=O)OC)O
InChI: InChI=1S/C29H50O5SSi/c1-29(2,3)36(5,6)34-27-20-26(31)24(16-12-7-8-13-17-28(32)33-4)25(27)19-18-22(30)21-35-23-14-10-9-11-15-23/h9-11,14-15,22,24-27,30-31H,7-8,12-13,16-21H2,1-6H3/t22?,24-,25-,26+,27-/m1/s1
SMILES: C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCOC5=CC=CC=C5.Cl
InChI: InChI=1S/C24H29NO2.ClH/c26-19-10-9-18-16-23-21-8-4-5-11-24(21,22(18)17-19)12-13-25(23)14-15-27-20-6-2-1-3-7-20;/h1-3,6-7,9-10,17,21,23,26H,4-5,8,11-16H2;1H/t21-,23+,24+;/m0./s1
SMILES: CC1=CC=CC=C1[C@@H]2[C@H](C(=NC(=C2C#N)SCC3=CC=CC=C3[N+](=O)[O-])C)C(=O)C
InChI: InChI=1S/C23H21N3O3S/c1-14-8-4-6-10-18(14)22-19(12-24)23(25-15(2)21(22)16(3)27)30-13-17-9-5-7-11-20(17)26(28)29/h4-11,21-22H,13H2,1-3H3/t21-,22+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCCC(=O)O)CN(C)C[C@H](C5=CC(=CC=C5)O)O
InChI: InChI=1S/C40H46N2O8/c1-26-36(24-42(2)23-35(45)32-10-5-12-34(44)21-32)49-40(50-39(26)29-17-15-27(25-43)16-18-29)33-11-4-9-31(20-33)30-8-3-7-28(19-30)22-41-37(46)13-6-14-38(47)48/h3-5,7-12,15-21,26,35-36,39-40,43-45H,6,13-14,22-25H2,1-2H3,(H,41,46)(H,47,48)/t26-,35+,36+,39+,40+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[C@@H]3[C@@H]4C(=NC5=C3C(=O)N(C(=O)N5C)C)C6=CC=CC=C6C4=O
InChI: InChI=1S/C29H23N3O6S/c1-16-8-14-19(15-9-16)39(36,37)38-18-12-10-17(11-13-18)22-23-25(20-6-4-5-7-21(20)26(23)33)30-27-24(22)28(34)32(3)29(35)31(27)2/h4-15,22-23H,1-3H3/t22-,23-/m1/s1
SMILES: C1CN([C@@H](CN1CC2=CC=C(O2)C3=CC=CC=N3)C(=O)NCC(F)(F)F)C[C@H](C[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H]5[C@@H](CC6=CC=CC=C56)O)O
InChI: InChI=1S/C38H42F3N5O5/c39-38(40,41)24-43-37(50)32-23-45(22-29-13-14-34(51-29)31-12-6-7-15-42-31)16-17-46(32)21-28(47)19-27(18-25-8-2-1-3-9-25)36(49)44-35-30-11-5-4-10-26(30)20-33(35)48/h1-15,27-28,32-33,35,47-48H,16-24H2,(H,43,50)(H,44,49)/t27-,28+,32+,33-,35+/m1/s1
SMILES: CC[C@H]1[C@H](CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)O
InChI: InChI=1S/C18H19FN2O4/c1-2-13-16(22)8-21(13)15-6-14-10(5-12(15)19)17(23)11(18(24)25)7-20(14)9-3-4-9/h5-7,9,13,16,22H,2-4,8H2,1H3,(H,24,25)/t13-,16-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCCC(=O)O)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C45H59N3O7/c1-29-39(27-48-37-15-6-5-11-32(37)22-23-38(48)43(53)47-45(2,3)4)54-44(55-42(29)33-20-18-30(28-49)19-21-33)36-14-8-13-35(25-36)34-12-7-10-31(24-34)26-46-40(50)16-9-17-41(51)52/h7-8,10,12-14,18-21,24-25,29,32,37-39,42,44,49H,5-6,9,11,15-17,22-23,26-28H2,1-4H3,(H,46,50)(H,47,53)(H,51,52)/t29-,32+,37+,38+,39+,42+,44+/m0/s1
SMILES: CCCN(C[C@@H](CO)O)C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CCC(C5)O)C)C=C4C(=O)C6=CC=C(S6)C)C)O
InChI: InChI=1S/C34H49NO5S/c1-5-16-35(19-24(38)20-36)21-33(40)13-10-28-31(33,4)12-9-27-30(3)11-8-23(37)17-32(30)14-15-34(27,28)25(18-32)29(39)26-7-6-22(2)41-26/h6-7,14-15,18,23-24,27-28,36-38,40H,5,8-13,16-17,19-21H2,1-4H3/t23?,24-,27+,28+,30+,31-,32-,33+,34+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H]3[C@H](O2)COC(O3)(C)C)O)NC(=O)CCl
InChI: InChI=1S/C16H22ClN3O7/c1-7-5-20(15(24)19-13(7)23)14-10(18-9(21)4-17)11(22)12-8(26-14)6-25-16(2,3)27-12/h5,8,10-12,14,22H,4,6H2,1-3H3,(H,18,21)(H,19,23,24)/t8-,10-,11-,12-,14-/m1/s1
SMILES: C1=C([C@H]([C@H]([C@H]([C@H]1NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)CO
InChI: InChI=1S/C13H25NO9/c15-3-5-1-6(10(20)13(23)9(5)19)14-2-7(17)11(21)12(22)8(18)4-16/h1,6-23H,2-4H2/t6-,7-,8+,9+,10-,11+,12+,13+/m0/s1
SMILES: C1CCC(CC1)[C@H](C(=O)O)N2C[C@@H]([C@H](C2)C3=CC=CC=C3)CN4CCC(CC4)C5=CC(=NO5)CC6=CC=CC=C6
InChI: InChI=1S/C34H43N3O3/c38-34(39)33(28-14-8-3-9-15-28)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-27(17-19-36)32-21-30(35-40-32)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31,33H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,31+,33+/m0/s1
SMILES: CN1C[C@H]2[C@@H](C([C@@H](C(=C2C=C1)C#N)N)(C#N)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C19H16ClN5/c1-25-7-6-12-14(8-21)18(24)19(10-22,11-23)17(15(12)9-25)13-4-2-3-5-16(13)20/h2-7,15,17-18H,9,24H2,1H3/t15-,17+,18-/m1/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)CO
InChI: InChI=1S/C25H19NO3/c27-14-25-18-12-6-4-10-16(18)20(17-11-5-7-13-19(17)25)21-22(25)24(29)26(23(21)28)15-8-2-1-3-9-15/h1-13,20-22,27H,14H2/t20?,21-,22+,25?/m1/s1
SMILES: CN1C=C(C(=O)N(C1=O)C)[C@@H]2C[C@@H]([C@H](O2)COCOC)O
InChI: InChI=1S/C13H20N2O6/c1-14-5-8(12(17)15(2)13(14)18)10-4-9(16)11(21-10)6-20-7-19-3/h5,9-11,16H,4,6-7H2,1-3H3/t9-,10-,11+/m0/s1
SMILES: C/C(=C/C=C/C(C)(C)O)/[C@H]1CC[C@@]2([C@@H]1CC[C@]3([C@@H](C2)O3)C)C
InChI: InChI=1S/C20H32O2/c1-14(7-6-10-18(2,3)21)15-8-11-19(4)13-17-20(5,22-17)12-9-16(15)19/h6-7,10,15-17,21H,8-9,11-13H2,1-5H3/b10-6+,14-7-/t15-,16-,17-,19+,20+/m1/s1
SMILES: COCOC[C@H]1[C@@H]([C@H]([C@H](N1)[C@@H]([C@@H]([C@H](C(=O)O)OCOC)OCOC)OCOC)OCOC)OCOC
InChI: InChI=1S/C21H41NO14/c1-25-8-31-7-14-16(32-9-26-2)17(33-10-27-3)15(22-14)18(34-11-28-4)19(35-12-29-5)20(21(23)24)36-13-30-6/h14-20,22H,7-13H2,1-6H3,(H,23,24)/t14-,15-,16-,17-,18-,19-,20+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC2=CC3=C(C=C2)OC4=CC=CC=C43
InChI: InChI=1S/C21H23NO3/c1-14-6-2-4-8-18(14)22-21(23)13-24-15-10-11-20-17(12-15)16-7-3-5-9-19(16)25-20/h3,5,7,9-12,14,18H,2,4,6,8,13H2,1H3,(H,22,23)/t14-,18+/m0/s1
SMILES: CCOC(=O)[C@]12[C@@H]3CC[C@H]([C@H]1OC(CC2=O)(C)C)C(=O)C3
InChI: InChI=1S/C16H22O5/c1-4-20-14(19)16-9-5-6-10(11(17)7-9)13(16)21-15(2,3)8-12(16)18/h9-10,13H,4-8H2,1-3H3/t9-,10+,13-,16+/m1/s1
SMILES: CCC(=O)C(=O)N(CC1=COC=C1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C26H30N2O9/c1-3-19(31)26(34)28(11-14-4-7-36-13-14)18-10-17(25(33)27-5-6-29)21-16-8-15(12-30)9-20(35-2)23(16)37-24(21)22(18)32/h4,7-10,13,18,21-22,24,29-30,32H,3,5-6,11-12H2,1-2H3,(H,27,33)/t18-,21+,22+,24+/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4CCCN4[C@@H]([C@H]3C2=O)C(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C24H23ClN2O3/c1-2-14-5-11-17(12-6-14)27-23(29)19-18-4-3-13-26(18)21(20(19)24(27)30)22(28)15-7-9-16(25)10-8-15/h5-12,18-21H,2-4,13H2,1H3/t18-,19-,20-,21-/m0/s1
SMILES: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)(C)O)(C3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)COC(=O)C
InChI: InChI=1S/C24H34O10/c1-12-7-16-23(10-30-13(2)25,8-15(12)33-17(27)9-21(4,5)29)22(6)19(32-14(3)26)18(28)20(34-16)24(22)11-31-24/h7,15-16,18-20,28-29H,8-11H2,1-6H3/t15-,16+,18+,19+,20+,22?,23+,24?/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)CNC(=O)C(Cl)(Cl)Cl)CN4C=NC(=C4Cl)Cl
InChI: InChI=1S/C25H24Cl5N3O4/c1-14-19(11-33-13-32-21(26)22(33)27)36-23(37-20(14)17-6-4-16(12-34)5-7-17)18-8-2-15(3-9-18)10-31-24(35)25(28,29)30/h2-9,13-14,19-20,23,34H,10-12H2,1H3,(H,31,35)/t14-,19+,20+,23+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](O[C@H]1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O)OC)C
InChI: InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12-,19-,20+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@](C4)(CS(=O)(=O)NCC5=CC=CC=C5)O)C)C
InChI: InChI=1S/C35H55NO3S/c1-25(2)10-9-11-26(3)30-16-17-31-29-15-14-28-22-35(37,21-20-33(28,4)32(29)18-19-34(30,31)5)24-40(38,39)36-23-27-12-7-6-8-13-27/h6-8,12-14,25-26,29-32,36-37H,9-11,15-24H2,1-5H3/t26-,29+,30-,31+,32+,33+,34-,35+/m1/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)OC
InChI: InChI=1S/C23H24N2O5/c1-29-16-11-12-19(20(13-16)30-2)24-21(26)14-7-9-15(10-8-14)25-22(27)17-5-3-4-6-18(17)23(25)28/h7-13,17-18H,3-6H2,1-2H3,(H,24,26)/t17-,18-/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@H]3[C@@H]2OC(O3)(C)C)C(=O)OC4=CC=C(C=C4)OC)C
InChI: InChI=1S/C19H24O8/c1-18(2)24-12-13(25-18)15-17(27-19(3,4)26-15)23-14(12)16(20)22-11-8-6-10(21-5)7-9-11/h6-9,12-15,17H,1-5H3/t12-,13+,14-,15-,17-/m1/s1
SMILES: C/C(=C\C=O)/CC[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)O)(C)C)C
InChI: InChI=1S/C20H34O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,14,16-17,22H,6-9,11-13H2,1-5H3/b15-10+/t16-,17+,19-,20+/m0/s1