EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1[C@H]2[C@@H](C13OCCO3)CC[C@H]([C@@H]2C#C[C@H](C4CCCCC4)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C26H44O4Si/c1-18-24-20(22(27)14-13-21(24)26(18)28-16-17-29-26)12-15-23(19-10-8-7-9-11-19)30-31(5,6)25(2,3)4/h18-24,27H,7-11,13-14,16-17H2,1-6H3/t18-,20+,21+,22-,23-,24-/m1/s1
SMILES: C1CCN2CCC[C@@H]([C@H]2C1)CO[C@H](C(Cl)(Cl)Cl)NC(=O)CC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C24H29Cl3N2O2/c25-24(26,27)23(31-16-19-10-6-14-29-13-4-3-12-21(19)29)28-22(30)15-18-9-5-8-17-7-1-2-11-20(17)18/h1-2,5,7-9,11,19,21,23H,3-4,6,10,12-16H2,(H,28,30)/t19-,21-,23-/m1/s1
SMILES: CC(C)[C@H](C[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(C[C@H]([C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)C)O)O)O)O
InChI: InChI=1S/C27H44O8/c1-13(2)16(28)10-22(33)26(5,34)21-6-7-27(35)15-9-17(29)14-8-18(30)19(31)11-24(14,3)23(15)20(32)12-25(21,27)4/h9,13-14,16,18-23,28,30-35H,6-8,10-12H2,1-5H3/t14-,16-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H]([C@@H]([C@]([C@H]2N=[N+]=[N-])(CO)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C27H29N3O5/c28-30-29-25-23(33-16-20-10-4-1-5-11-20)24(34-17-21-12-6-2-7-13-21)26(27(25,32)19-31)35-18-22-14-8-3-9-15-22/h1-15,23-26,31-32H,16-19H2/t23-,24-,25+,26+,27-/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@H]([C@@]1(CCC(=O)C2)C)CC[C@@]4([C@]3(CCC4=O)O)C
InChI: InChI=1S/C20H30O3/c1-17-8-5-15-14(18(17,2)9-4-13(21)12-17)6-10-19(3)16(22)7-11-20(15,19)23/h14-15,23H,4-12H2,1-3H3/t14-,15-,17-,18-,19-,20+/m0/s1
SMILES: CCOC1=CC(=NC2=NC(=NC(=O)[C@@H]3[C@H](C3(C)C)C=C(Cl)Cl)SN12)OCC
InChI: InChI=1S/C17H20Cl2N4O3S/c1-5-25-11-8-12(26-6-2)23-15(20-11)22-16(27-23)21-14(24)13-9(7-10(18)19)17(13,3)4/h7-9,13H,5-6H2,1-4H3/t9-,13+/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)C(=O)O)CSC4=CC(=O)C5=CC(=C(C(=C5S4)Cl)O)O
InChI: InChI=1S/C24H18ClN5O10S4/c25-14-18(35)11(32)1-8-10(31)2-13(44-19(8)14)41-4-7-5-42-22-16(21(37)30(22)17(7)23(38)39)28-20(36)15(29-40-3-12(33)34)9-6-43-24(26)27-9/h1-2,6,16,22,32,35H,3-5H2,(H2,26,27)(H,28,36)(H,33,34)(H,38,39)/b29-15-/t16-,22-/m1/s1
SMILES: CC1([C@H]([C@@H]1C(=O)NC2=CC=C(C=C2)Br)C=C(Cl)Cl)C
InChI: InChI=1S/C14H14BrCl2NO/c1-14(2)10(7-11(16)17)12(14)13(19)18-9-5-3-8(15)4-6-9/h3-7,10,12H,1-2H3,(H,18,19)/t10-,12+/m0/s1
SMILES: C1C[C@@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CCC(=O)[O-]
InChI: InChI=1S/C12H15NO4/c14-8(15)3-4-13-11(16)9-6-1-2-7(5-6)10(9)12(13)17/h6-7,9-10H,1-5H2,(H,14,15)/p-1/t6-,7-,9-,10+/m1/s1
SMILES: C1[C@]2([C@@H](C3=C(O1)C=C(C=C3)CO)OC4=CC5=C(C=C42)OCO5)O
InChI: InChI=1S/C17H14O6/c18-6-9-1-2-10-12(3-9)20-7-17(19)11-4-14-15(22-8-21-14)5-13(11)23-16(10)17/h1-5,16,18-19H,6-8H2/t16-,17+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C21H27N3O4S/c25-20-18-8-4-5-9-19(18)21(26)24(20)16-22-11-13-23(14-12-22)29(27,28)15-10-17-6-2-1-3-7-17/h1-3,6-7,10,15,18-19H,4-5,8-9,11-14,16H2/p+1/b15-10+/t18-,19-/m1/s1
SMILES: CCOC(=O)N(CCOCCO)[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)OC6=CC(=C(C=C6)C)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C49H63N3O12/c1-5-25-61-49-45(51(48(56)60-6-2)21-26-59-27-24-55)31-43(50-62-32-35-14-16-37(17-15-35)52(57)58)41-29-36(11-7-9-22-53)40(12-8-10-23-54)46(47(41)49)42-30-39(19-20-44(42)64-49)63-38-18-13-33(3)34(4)28-38/h5,13-20,28-30,36,40,45-47,53-55H,1,6-12,21-27,31-32H2,2-4H3/t36-,40+,45-,46+,47+,49+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H](C(O1)CP(=O)(OC)OC)OCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C31H39O8P/c1-23-29(36-19-24-11-7-5-8-12-24)31(38-20-25-13-9-6-10-14-25)30(28(39-23)22-40(32,34-3)35-4)37-21-26-15-17-27(33-2)18-16-26/h5-18,23,28-31H,19-22H2,1-4H3/t23-,28?,29-,30-,31+/m0/s1
SMILES: CCCN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCSC6=CC=CC=C6)OCC=C)CCCCO)CCCCO)C(=O)C7CC7
InChI: InChI=1S/C47H64N2O8S/c1-3-23-49(46(52)33-19-20-33)42-32-40(48-57-43-18-10-13-27-54-43)38-30-34(14-8-11-24-50)37(17-9-12-25-51)44-39-31-35(53-28-29-58-36-15-6-5-7-16-36)21-22-41(39)56-47(42,45(38)44)55-26-4-2/h4-7,15-16,21-22,30-31,33-34,37,42-45,50-51H,2-3,8-14,17-20,23-29,32H2,1H3/t34-,37+,42-,43?,44+,45+,47+/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)OCC=C)CN(C)CCC4=CC=CC=N4
InChI: InChI=1S/C32H39N3O5/c1-4-19-38-32(37)34-20-24-8-14-27(15-9-24)31-39-29(21-35(3)18-16-28-7-5-6-17-33-28)23(2)30(40-31)26-12-10-25(22-36)11-13-26/h4-15,17,23,29-31,36H,1,16,18-22H2,2-3H3,(H,34,37)/t23-,29+,30+,31+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C22H32N4OS/c1-15-8-6-7-9-18(15)23-19(27)14-28-21-25-24-20(26(21)5)16-10-12-17(13-11-16)22(2,3)4/h10-13,15,18H,6-9,14H2,1-5H3,(H,23,27)/t15-,18+/m0/s1
SMILES: C1[C@@H]([C@]12[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N
InChI: InChI=1S/C8H15NO5/c9-4-1-8(4)7(13)6(12)5(11)3(2-10)14-8/h3-7,10-13H,1-2,9H2/t3-,4+,5-,6+,7+,8+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](O2)C(=O)/C=C/C3=CC(=CC=C3)Br
InChI: InChI=1S/C17H13BrO2/c18-14-8-4-5-12(11-14)9-10-15(19)17-16(20-17)13-6-2-1-3-7-13/h1-11,16-17H/b10-9+/t16-,17+/m1/s1
SMILES: CCCCCCCCCCO[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O
InChI: InChI=1S/C16H32O5/c1-3-4-5-6-7-8-9-10-11-20-16-15(19)14(18)13(17)12(2)21-16/h12-19H,3-11H2,1-2H3/t12-,13+,14+,15-,16-/m0/s1
SMILES: CC/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)OC(C)OC(=O)C
InChI: InChI=1S/C21H25N5O7S2/c1-5-6-7-12-8-34-19-15(24-17(28)14(25-31-4)13-9-35-21(22)23-13)18(29)26(19)16(12)20(30)33-11(3)32-10(2)27/h6-7,9,11,15,19H,5,8H2,1-4H3,(H2,22,23)(H,24,28)/b7-6+,25-14-/t11?,15-,19-/m1/s1
SMILES: CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CCC4=C3CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C(=O)OC
InChI: InChI=1S/C31H50O2/c1-20(2)21-10-13-25-30(7)17-14-22-23(29(30,6)18-19-31(21,25)26(32)33-8)11-12-24-27(3,4)15-9-16-28(22,24)5/h20-21,24-25H,9-19H2,1-8H3/t21-,24+,25+,28-,29-,30+,31+/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@@H]3CCCC[C@]3(CCN2CC(=O)N4CCCCC4)O)O
InChI: InChI=1S/C23H34N2O4/c1-29-20-15-17(8-9-19(20)26)22-18-7-3-4-10-23(18,28)11-14-25(22)16-21(27)24-12-5-2-6-13-24/h8-9,15,18,22,26,28H,2-7,10-14,16H2,1H3/t18-,22+,23+/m0/s1
SMILES: CCC=CC(=O)N(CC1=CC=C(C=C1)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C29H31ClN2O7/c1-3-4-5-24(35)32(15-17-6-8-19(30)9-7-17)22-14-21(29(37)31-10-11-33)25-20-12-18(16-34)13-23(38-2)27(20)39-28(25)26(22)36/h4-9,12-14,16,22,25-26,28,33,36H,3,10-11,15H2,1-2H3,(H,31,37)/t22-,25+,26+,28+/m1/s1
SMILES: CCCN([C@H]1CCCC[C@H]1C2=CC(=CC=C2)OC)C(=O)[C@@H](C3=CC=CC=C3)OC
InChI: InChI=1S/C25H33NO3/c1-4-17-26(25(27)24(29-3)19-11-6-5-7-12-19)23-16-9-8-15-22(23)20-13-10-14-21(18-20)28-2/h5-7,10-14,18,22-24H,4,8-9,15-17H2,1-3H3/t22-,23-,24+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)C(=O)C
InChI: InChI=1S/C23H27NO5/c1-14-5-4-6-19(15(14)2)24-22(26)13-28-23(27)21-12-11-20(29-21)18-9-7-17(8-10-18)16(3)25/h7-12,14-15,19H,4-6,13H2,1-3H3,(H,24,26)/t14-,15+,19-/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@@H]2[C@@H](C(OC3=CC4=C(C=C23)OCO4)(CO)O)C(=O)O)OC
InChI: InChI=1S/C20H20O9/c1-25-10-3-4-11(13(5-10)26-2)17-12-6-15-16(28-9-27-15)7-14(12)29-20(24,8-21)18(17)19(22)23/h3-7,17-18,21,24H,8-9H2,1-2H3,(H,22,23)/t17-,18+,20?/m0/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=C(C=C2)CN3[C@H]4C(=O)O[C@@H]5C[C@]4([C@H](O3)[C@@H]6[C@H]5OC(O6)(C7CC7)C8CC8)C(=O)NCC9=CC(=CC=C9)C(=O)NCCO)C
InChI: InChI=1S/C42H47N3O12/c1-40(2)22-52-38(50)35(40)54-30(47)15-10-23-6-8-24(9-7-23)21-45-33-37(49)53-29-19-41(33,39(51)44-20-25-4-3-5-26(18-25)36(48)43-16-17-46)34(57-45)32-31(29)55-42(56-32,27-11-12-27)28-13-14-28/h3-10,15,18,27-29,31-35,46H,11-14,16-17,19-22H2,1-2H3,(H,43,48)(H,44,51)/t29-,31+,32+,33+,34-,35+,41+/m1/s1
SMILES: CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](CCCCN)C(=O)NC)C(=O)NO
InChI: InChI=1S/C25H46N6O7/c1-16(2)15-18-17(22(33)31-37)9-8-14-38-25(36)28-13-7-5-11-20(29-21(18)32)24(35)30-19(23(34)27-3)10-4-6-12-26/h16-20,37H,4-15,26H2,1-3H3,(H,27,34)(H,28,36)(H,29,32)(H,30,35)(H,31,33)/t17-,18+,19-,20-/m0/s1
SMILES: C[C@H](CC[S+](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C.[I-]
InChI: InChI=1S/C29H51OS.HI/c1-19(2)31(7)17-13-20(3)21-8-9-22-23-10-11-24-26(4,5)25(30)12-14-29(24)18-28(23,29)16-15-27(21,22)6;/h19-25,30H,8-18H2,1-7H3;1H/q+1;/p-1/t20-,21-,22+,23+,24+,25+,27-,28+,29-,31?;/m1./s1
SMILES: CC1=CC(=CC(=C1OC)C/C=C(\C)/[C@H]2C(=O)C[C@@]3(CCC[C@@]3([C@@]24C=CC(O4)(C)C)C)C)O
InChI: InChI=1S/C28H38O4/c1-18(9-10-20-16-21(29)15-19(2)24(20)31-7)23-22(30)17-26(5)11-8-12-27(26,6)28(23)14-13-25(3,4)32-28/h9,13-16,23,29H,8,10-12,17H2,1-7H3/b18-9+/t23-,26-,27-,28+/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@@H](CC2CCCCC2)OS(=O)(=O)C)[C@@H](CC3CCCCC3)OS(=O)(=O)C)C
InChI: InChI=1S/C23H42O8S2/c1-23(2)28-21(19(30-32(3,24)25)15-17-11-7-5-8-12-17)22(29-23)20(31-33(4,26)27)16-18-13-9-6-10-14-18/h17-22H,5-16H2,1-4H3/t19-,20-,21-,22-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OS(=O)(=O)CC4=CC=C(C=C4)C(C)(C)C)C
InChI: InChI=1S/C23H34O8S/c1-21(2,3)15-10-8-14(9-11-15)13-32(24,25)31-18-17(16-12-26-22(4,5)28-16)27-20-19(18)29-23(6,7)30-20/h8-11,16-20H,12-13H2,1-7H3/t16-,17-,18-,19-,20-/m1/s1
SMILES: CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
InChI: InChI=1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1
SMILES: COC1=C(C[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)NC7=CC=CC=C7
InChI: InChI=1S/C28H30N2O5/c1-34-23-19(26(32)29-18-5-3-2-4-6-18)14-28(33)21-13-17-9-10-20(31)24-22(17)27(28,25(23)35-24)11-12-30(21)15-16-7-8-16/h2-6,9-10,16,21,25,31,33H,7-8,11-15H2,1H3,(H,29,32)/t21-,25+,27+,28-/m1/s1
SMILES: CC[NH+](CC)C[C@H]1C[C@H](C(C[C@@H]1OC(=O)C2=CC=CC=C2)(C)C)O
InChI: InChI=1S/C20H31NO3/c1-5-21(6-2)14-16-12-18(22)20(3,4)13-17(16)24-19(23)15-10-8-7-9-11-15/h7-11,16-18,22H,5-6,12-14H2,1-4H3/p+1/t16-,17+,18-/m1/s1
SMILES: CC[C@H](C)N(CC(=O)NC1=NOC=C1)C(=O)[C@@H]2C[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C19H23N3O3/c1-3-13(2)22(12-18(23)20-17-9-10-25-21-17)19(24)16-11-15(16)14-7-5-4-6-8-14/h4-10,13,15-16H,3,11-12H2,1-2H3,(H,20,21,23)/t13-,15-,16+/m0/s1
SMILES: CC(=O)OC1[C@@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OC
InChI: InChI=1S/C22H26O6/c1-16(23)27-22-21(24-2)20(26-14-18-11-7-4-8-12-18)19(28-22)15-25-13-17-9-5-3-6-10-17/h3-12,19-22H,13-15H2,1-2H3/t19-,20-,21-,22?/m1/s1
SMILES: CCC[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=CC=C3[N+](=O)[O-])ON1C4=CC=CC=C4
InChI: InChI=1S/C20H19N3O5/c1-2-8-16-17-18(28-22(16)13-9-4-3-5-10-13)20(25)21(19(17)24)14-11-6-7-12-15(14)23(26)27/h3-7,9-12,16-18H,2,8H2,1H3/t16-,17+,18-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C5=NC6=CC=CC=C6N=C5)CN7CCC8(CC7)OCCO8
InChI: InChI=1S/C42H44N4O6/c1-28-38(26-46-20-18-42(19-21-46)49-22-23-50-42)51-41(52-39(28)31-12-10-29(27-47)11-13-31)32-16-14-30(15-17-32)34-7-3-2-6-33(34)24-44-40(48)37-25-43-35-8-4-5-9-36(35)45-37/h2-17,25,28,38-39,41,47H,18-24,26-27H2,1H3,(H,44,48)/t28-,38+,39+,41+/m0/s1
SMILES: COC1=CC=CC2=C1CC[C@@H]3[C@H]2CN(C3)CCN4C(=O)C5=C(C6=CC=CC(=C6S5)C#N)NC4=O
InChI: InChI=1S/C26H24N4O3S/c1-33-21-7-3-5-17-18(21)9-8-16-13-29(14-20(16)17)10-11-30-25(31)24-22(28-26(30)32)19-6-2-4-15(12-27)23(19)34-24/h2-7,16,20H,8-11,13-14H2,1H3,(H,28,32)/t16-,20+/m0/s1
SMILES: C[C@]12CCC3=NON=C3[C@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC6=[N+](ON=C65)[O-])C.C[C@]12CCC3=NON=C3[C@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC6=NO[N+](=C65)[O-])C
InChI: InChI=1S/2C19H24N4O3/c1-18-8-6-14-16(21-25-20-14)12(18)4-3-10-11(18)5-7-19(2)13(10)9-15-17(19)22-26-23(15)24;1-18-8-6-14-16(22-25-20-14)12(18)4-3-10-11(18)5-7-19(2)13(10)9-15-17(19)23(24)26-21-15/h2*10-13H,3-9H2,1-2H3/t2*10-,11+,12-,13+,18-,19+/m11/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3[C@@]4(CCCC=C4)[C@@H](C(=O)N3C2(C)C)C
InChI: InChI=1S/C20H31NO2/c1-13-8-9-15-16(12-13)23-18-20(10-6-5-7-11-20)14(2)17(22)21(18)19(15,3)4/h6,10,13-16,18H,5,7-9,11-12H2,1-4H3/t13-,14-,15-,16-,18+,20+/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
InChI: InChI=1S/C20H28N2O4S/c23-20(22-11-3-5-16-4-1-2-6-19(16)22)17-7-9-18(10-8-17)27(24,25)21-12-14-26-15-13-21/h7-10,16,19H,1-6,11-15H2/t16-,19-/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@H]2[C@@H](N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C29H23N3O2/c1-2-34-23-15-12-21(13-16-23)26-27(28(33)22-9-4-3-5-10-22)32-24-11-7-6-8-20(24)14-17-25(32)29(26,18-30)19-31/h3-17,25-27H,2H2,1H3/t25?,26-,27+/m0/s1
SMILES: COC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)CC=C)O)O)Cl
InChI: InChI=1S/C23H27ClO5/c1-3-4-18-20(13-25)29-23(22(27)21(18)26)15-7-10-19(24)16(12-15)11-14-5-8-17(28-2)9-6-14/h3,5-10,12,18,20-23,25-27H,1,4,11,13H2,2H3/t18-,20-,21+,22-,23+/m1/s1
SMILES: CC(CCCC[C@@H]1[C@@H](COC(O1)(C)C)C(=O)OCC2=CC=CC=C2)C3=CC4=C(C=C3)C=CC(=C4)C(=O)OC
InChI: InChI=1S/C32H38O6/c1-22(25-16-14-24-15-17-26(30(33)35-4)19-27(24)18-25)10-8-9-13-29-28(21-37-32(2,3)38-29)31(34)36-20-23-11-6-5-7-12-23/h5-7,11-12,14-19,22,28-29H,8-10,13,20-21H2,1-4H3/t22?,28-,29-/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@H](C(=O)OC)NC(=O)[C@H]2CCCC[C@H]2C(=O)O)OC
InChI: InChI=1S/C19H25NO7/c1-25-14-9-8-11(10-15(14)26-2)16(19(24)27-3)20-17(21)12-6-4-5-7-13(12)18(22)23/h8-10,12-13,16H,4-7H2,1-3H3,(H,20,21)(H,22,23)/t12-,13+,16+/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@@H]2[C@@H](NCCN2)C3=C(C=C(C=C3Cl)OC)Cl)Cl
InChI: InChI=1S/C18H19Cl3N2O2/c1-24-10-3-4-12(13(19)7-10)17-18(23-6-5-22-17)16-14(20)8-11(25-2)9-15(16)21/h3-4,7-9,17-18,22-23H,5-6H2,1-2H3/t17-,18+/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)[O-]
InChI: InChI=1S/C18H24N2O6S/c21-17(15-3-1-2-4-16(15)18(22)23)19-13-5-7-14(8-6-13)27(24,25)20-9-11-26-12-10-20/h5-8,15-16H,1-4,9-12H2,(H,19,21)(H,22,23)/p-1/t15-,16-/m0/s1
SMILES: C1[C@@H]2[C@@H]3C[C@@H]4[C@H]1[C@@H]5[C@H]2[C@@H]6[C@H]3C7[C@H]4[C@H]5C6C7
InChI: InChI=1S/C15H18/c1-4-6-2-7-5(1)11-8-3-9-14(10(4)8)12(6)13(7)15(9)11/h4-15H,1-3H2/t4-,5+,6+,7-,8?,9?,10+,11-,12-,13+,14-,15+
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(C=C2)OC(F)F)/C#N
InChI: InChI=1S/C18H20F2N2O2/c1-12-4-2-3-5-16(12)22-17(23)14(11-21)10-13-6-8-15(9-7-13)24-18(19)20/h6-10,12,16,18H,2-5H2,1H3,(H,22,23)/b14-10+/t12-,16-/m0/s1
SMILES: COC1=CC=C(C=C1)/C=C/2\[C@H]([C@@H](OC2=O)C(=O)OC)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C21H18O7/c1-24-14-6-3-12(4-7-14)9-15-18(19(21(23)25-2)28-20(15)22)13-5-8-16-17(10-13)27-11-26-16/h3-10,18-19H,11H2,1-2H3/b15-9+/t18-,19-/m1/s1
SMILES: CC[Si](CC)(CC)OCC[C@H]1[C@@H]([C@H]2CC(=O)[C@@H]1[C@@]2(C=C)O[Si](CC)(CC)CC)CCCCC/C=C/C
InChI: InChI=1S/C31H58O3Si2/c1-9-17-18-19-20-21-22-26-27(23-24-33-35(11-3,12-4)13-5)30-29(32)25-28(26)31(30,10-2)34-36(14-6,15-7)16-8/h9-10,17,26-28,30H,2,11-16,18-25H2,1,3-8H3/b17-9+/t26-,27-,28+,30+,31-/m0/s1
SMILES: C[C@H](CCC[C@@H](C)[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)CO
InChI: InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-25,28-30H,5-7,9-16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24+,25+,26+,27+/m1/s1
SMILES: CC[C@]1([C@H](CCN([C@@H]1C#N)C)C(=O)C2=CC3=CC=CC=C3N2C)O
InChI: InChI=1S/C19H23N3O2/c1-4-19(24)14(9-10-21(2)17(19)12-20)18(23)16-11-13-7-5-6-8-15(13)22(16)3/h5-8,11,14,17,24H,4,9-10H2,1-3H3/t14-,17-,19-/m1/s1
SMILES: COC1=CC=CC(=C1)NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3
InChI: InChI=1S/C18H19NO6/c1-23-11-4-2-3-10(7-11)19-14(20)8-24-17(21)15-9-5-12-13(6-9)25-18(22)16(12)15/h2-4,7,9,12-13,15-16H,5-6,8H2,1H3,(H,19,20)/t9-,12+,13-,15-,16+/m1/s1
SMILES: C1CCC(C1)NC2=C3C(=NC=N2)N(C(=N3)Br)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C15H20BrN5O4/c16-15-20-9-12(19-7-3-1-2-4-7)17-6-18-13(9)21(15)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,17,18,19)/t8-,10-,11-,14-/m1/s1
SMILES: C[C@@H]1[C@H](C[C@]2(CC[C@@H](O2)C(=O)O)O[C@@H]1[C@@H](C)[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)OC)OCOC
InChI: InChI=1S/C25H48O8Si/c1-16(14-31-34(9,10)24(4,5)6)21(29-8)18(3)22-17(2)20(30-15-28-7)13-25(33-22)12-11-19(32-25)23(26)27/h16-22H,11-15H2,1-10H3,(H,26,27)/t16-,17-,18+,19-,20+,21+,22+,25+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1COC3=CC=CC4=C(C=CC=C43)C[N+](C)(C)CCN=C(N)SC)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C28H36N4O5S/c1-16-21(25(27(35)36)31-24(16)23(17(2)33)26(31)34)15-37-22-11-7-9-19-18(8-6-10-20(19)22)14-32(3,4)13-12-30-28(29)38-5/h6-11,16-17,23-24,33H,12-15H2,1-5H3,(H2-,29,30,35,36)/p+1/t16-,17+,23+,24+/m0/s1
SMILES: C1C[C@H]2[C@H]([C@H]([C@@H]1O2)C(=O)NCC3=CC=CS3)C(=O)[O-]
InChI: InChI=1S/C13H15NO4S/c15-12(14-6-7-2-1-5-19-7)10-8-3-4-9(18-8)11(10)13(16)17/h1-2,5,8-11H,3-4,6H2,(H,14,15)(H,16,17)/p-1/t8-,9+,10+,11-/m1/s1
SMILES: CC1=CC=C(C=C1)S[C@@]23[C@H]4C[C@@H]([C@@H]2C(=O)C5=C(C3=O)[C@@H]6C[C@H]5C=C6)C=C4
InChI: InChI=1S/C23H20O2S/c1-12-2-8-17(9-3-12)26-23-16-7-6-15(11-16)20(23)21(24)18-13-4-5-14(10-13)19(18)22(23)25/h2-9,13-16,20H,10-11H2,1H3/t13-,14+,15+,16-,20-,23+/m1/s1
SMILES: CC1([C@@H]([C@]2(C[C@@H]([C@@H]1O2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)[C@H](C5=C(CC(CC5)C[C@H]6C[C@@H]6CO[Si](C7=CC=CC=C7)(C8=CC=CC=C8)C(C)(C)C)CO)O)C=C)C
InChI: InChI=1S/C55H72O5Si2/c1-10-49-54(8,9)51-48(60-62(53(5,6)7,45-27-19-13-20-28-45)46-29-21-14-22-30-46)36-55(49,59-51)50(57)47-32-31-39(34-41(47)37-56)33-40-35-42(40)38-58-61(52(2,3)4,43-23-15-11-16-24-43)44-25-17-12-18-26-44/h10-30,39-40,42,48-51,56-57H,1,31-38H2,2-9H3/t39?,40-,42+,48-,49-,50-,51-,55+/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]4C6=C(C=C(C=C6OC)O)OC)Cl)C7=C(C(=C(C(=C7F)F)F)F)F)Cl
InChI: InChI=1S/C35H23Cl3F8N4O7/c1-48(28-15(36)6-7-18(47-28)35(44,45)46)50-29(52)13-5-4-12-14(19(13)30(50)53)10-33(37)31(54)49(27-25(42)23(40)22(39)24(41)26(27)43)32(55)34(33,38)21(12)20-16(56-2)8-11(51)9-17(20)57-3/h4,6-9,13-14,19,21,51H,5,10H2,1-3H3/t13-,14+,19-,21+,33+,34-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@](O1)(C#N)NC(=O)COC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H24N2O11/c1-9(21)27-6-13-15(28-10(2)22)16(29-11(3)23)17(30-12(4)24)18(8-19,31-13)20-14(25)7-26-5/h13,15-17H,6-7H2,1-5H3,(H,20,25)/t13-,15+,16+,17-,18+/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@H]([C@H]2[C@@H]([C@@H](C(=O)N2C(=O)OC(C)(C)C)O)O)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C21H39NO8Si/c1-19(2,3)29-18(26)22-13(14(23)15(24)17(22)25)16(12-11-27-21(7,8)28-12)30-31(9,10)20(4,5)6/h12-16,23-24H,11H2,1-10H3/t12-,13-,14+,15+,16-/m1/s1
SMILES: C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O
InChI: InChI=1S/C18H22N2O4S/c1-9-6-7-12-13(8-9)25-17(14(12)15(19)21)20-16(22)10-4-2-3-5-11(10)18(23)24/h2-3,9-11H,4-8H2,1H3,(H2,19,21)(H,20,22)(H,23,24)/t9-,10-,11-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=CC(=C7O)CC=C)C(=O)N(C5=O)CC8=CC=CC=C8
InChI: InChI=1S/C43H39N3O5/c1-3-11-28-14-10-17-33(38(28)47)37-31-22-23-32-36(41(50)45(39(32)48)25-27-12-6-4-7-13-27)34(31)24-35-40(49)46(44-30-20-18-26(2)19-21-30)42(51)43(35,37)29-15-8-5-9-16-29/h3-10,12-22,32,34-37,44,47H,1,11,23-25H2,2H3/t32-,34+,35-,36-,37+,43+/m0/s1
SMILES: CC(=O)[C@@H]1CC[C@@H]2[C@@]1(C[C@H]([C@@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)OC(=O)CCC(=O)O)C
InChI: InChI=1S/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18-,19-,20+,23-,24-,25+/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)OCC8=CC=C(C=C8)F)C9=C(N6CC1=CC=C(C=C1)F)C=CC(=C9)Cl
InChI: InChI=1S/C40H35ClF2N2O3/c41-27-8-13-32-30(18-27)31-19-40(47-22-25-5-11-29(43)12-6-25)34-17-26-7-14-33(46)37-35(26)39(40,15-16-44(34)20-23-1-2-23)38(48-37)36(31)45(32)21-24-3-9-28(42)10-4-24/h3-14,18,23,34,38,46H,1-2,15-17,19-22H2/t34-,38+,39+,40-/m1/s1
SMILES: C1=CC=C2C(=C1)[C@@H]([C@H](C2=O)N=C3C(=O)C4=CC=CC=C4C3=O)O
InChI: InChI=1S/C18H11NO4/c20-15-9-5-1-2-6-10(9)16(21)13(15)19-14-17(22)11-7-3-4-8-12(11)18(14)23/h1-8,13,15,20H/t13-,15+/m1/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@@H]1[C@@H]([C@@H](O[C@@H](O1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)CO)C
InChI: InChI=1S/C42H60N2O4/c1-4-6-8-10-12-17-29-44(30-18-13-11-9-7-5-2)31-39-33(3)40(35-23-21-34(32-45)22-24-35)48-42(47-39)37-25-27-38(28-26-37)43-41(46)36-19-15-14-16-20-36/h14-16,19-28,33,39-40,42,45H,4-13,17-18,29-32H2,1-3H3,(H,43,46)/t33-,39+,40+,42+/m0/s1
SMILES: CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C
InChI: InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C(=CC=C5)OC)O)C(=O)N(C4=O)CCCCCC(=O)O)Cl
InChI: InChI=1S/C28H30Cl2N2O8/c1-31-25(38)27(29)13-17-14(21(28(27,30)26(31)39)16-7-6-8-18(40-2)22(16)35)10-11-15-20(17)24(37)32(23(15)36)12-5-3-4-9-19(33)34/h6-8,10,15,17,20-21,35H,3-5,9,11-13H2,1-2H3,(H,33,34)/t15-,17+,20-,21+,27+,28-/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@H](C/C=C\CCCOCC4=CC=CC=C4)[C@H](CCO[Si](C)(C)C(C)(C)C)O)C
InChI: InChI=1S/C34H55NO6SSi/c1-32(2,3)43(6,7)41-22-19-29(36)28(17-13-8-9-14-21-40-24-26-15-11-10-12-16-26)31(37)35-30-23-27-18-20-34(30,33(27,4)5)25-42(35,38)39/h8,10-13,15-16,27-30,36H,9,14,17-25H2,1-7H3/b13-8-/t27-,28-,29+,30-,34-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2C=C[C@@H]([C@@H]3[C@@H]2C(=O)N(C3=O)CCOC4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H25NO3/c30-27-25-23(20-10-4-1-5-11-20)16-17-24(21-12-6-2-7-13-21)26(25)28(31)29(27)18-19-32-22-14-8-3-9-15-22/h1-17,23-26H,18-19H2/t23-,24+,25-,26-/m1/s1
SMILES: C[C@H](CCCC(=C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C
InChI: InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h22,24,27-28H,1,10-20H2,2-9H3/t22-,24-,27+,28+,30-,31-,32+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)CCC2=CC=CC=C2F
InChI: InChI=1S/C18H26FN3OS/c1-12-6-5-9-16(13(12)2)20-18(24)22-21-17(23)11-10-14-7-3-4-8-15(14)19/h3-4,7-8,12-13,16H,5-6,9-11H2,1-2H3,(H,21,23)(H2,20,22,24)/t12-,13+,16+/m0/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)C
InChI: InChI=1S/C22H26N2O5/c1-12-4-3-5-16(13(12)2)23-17(25)11-29-18(26)8-9-24-21(27)19-14-6-7-15(10-14)20(19)22(24)28/h3-5,14-15,19-20H,6-11H2,1-2H3,(H,23,25)/t14-,15+,19-,20+
SMILES: C[C@H]1[C@H](OC(=O)N(N1C(C)C)C(=O)[C@H]([C@@H](C(C)(C)C)O)OC2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI: InChI=1S/C27H36N2O6/c1-17(2)28-18(3)22(19-11-9-8-10-12-19)35-26(32)29(28)25(31)23(24(30)27(4,5)6)34-21-15-13-20(33-7)14-16-21/h8-18,22-24,30H,1-7H3/t18-,22-,23-,24-/m0/s1
SMILES: CC(=O)CCC/C=C\1/CC[C@@H]2[C@@]1(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C22H40O2Si/c1-17(23)11-8-9-12-18-14-15-19-20(13-10-16-22(18,19)5)24-25(6,7)21(2,3)4/h12,19-20H,8-11,13-16H2,1-7H3/b18-12-/t19-,20-,22+/m0/s1
SMILES: C[C@@H](C1=CC=CS1)C(=O)N2[C@@H]3C[C@H]4CC[C@@]3(C4(C)C)CS2(=O)=O
InChI: InChI=1S/C17H23NO3S2/c1-11(13-5-4-8-22-13)15(19)18-14-9-12-6-7-17(14,16(12,2)3)10-23(18,20)21/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3/t11-,12+,14+,17+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SS(=O)(=O)C2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H24O11S2/c1-11(21)27-10-16-17(28-12(2)22)18(29-13(3)23)19(30-14(4)24)20(31-16)32-33(25,26)15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17-,18+,19-,20+/m1/s1
SMILES: C[C@H]1C[C@@H](/C(=N/OCC=C)/[C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NC(=O)C3=CC=CC=C3)/C)OC)OC(=O)N)\C)C)OC
InChI: InChI=1S/C38H46N4O9/c1-8-17-50-42-32-24(4)20-25(5)35(51-38(39)47)30(48-6)16-12-13-23(3)36(45)40-28-21-29(43)33(41-37(46)26-14-10-9-11-15-26)27(34(28)44)18-22(2)19-31(32)49-7/h8-16,20-22,24,30-31,35H,1,17-19H2,2-7H3,(H2,39,47)(H,40,45)(H,41,46)/b16-12-,23-13+,25-20+,42-32+/t22-,24+,30+,31+,35+/m1/s1
SMILES: CCCC[C@@H](C(=O)N[C@@H]1CC(=O)NCCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]2[C@H](CCN2C1=O)C3=CC=C(C=C3)Br)CC4=CC=CC=C4)CCCN=C(N)N)CC5=CNC6=CC=CC=C65)C(=O)N)NC(=O)C
InChI: InChI=1S/C56H74BrN13O9/c1-3-4-17-42(64-33(2)71)50(74)69-46-31-47(72)61-26-12-6-9-19-41(49(58)73)65-53(77)45(30-36-32-63-40-18-11-10-16-38(36)40)67-51(75)43(20-13-27-62-56(59)60)66-52(76)44(29-34-14-7-5-8-15-34)68-54(78)48-39(25-28-70(48)55(46)79)35-21-23-37(57)24-22-35/h5,7-8,10-11,14-16,18,21-24,32,39,41-46,48,63H,3-4,6,9,12-13,17,19-20,25-31H2,1-2H3,(H2,58,73)(H,61,72)(H,64,71)(H,65,77)(H,66,76)(H,67,75)(H,68,78)(H,69,74)(H4,59,60,62)/t39-,41+,42+,43+,44-,45+,46-,48-/m1/s1