EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@H]4O)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: C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=CC=C3OC)[C@@]4(N1)C5=CC=CC=C5N(C4=O)CC#C
InChI: InChI=1S/C24H21N3O4/c1-4-13-26-16-10-6-5-9-15(16)24(23(26)30)20-19(14(2)25-24)21(28)27(22(20)29)17-11-7-8-12-18(17)31-3/h1,5-12,14,19-20,25H,13H2,2-3H3/t14-,19+,20-,24-/m0/s1
SMILES: C[C@]1([C@H]2[C@@]1(C(=O)OC3=C2C=C(C=C3)Br)C(=O)NCC4=CC=CC=C4)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C26H20BrNO4/c1-25(22(29)17-10-6-3-7-11-17)21-19-14-18(27)12-13-20(19)32-24(31)26(21,25)23(30)28-15-16-8-4-2-5-9-16/h2-14,21H,15H2,1H3,(H,28,30)/t21-,25-,26-/m0/s1
SMILES: CCCCCCCCCCCCC(CCCCCCCCCC)CC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)CC(CCCCCCCCCCC)O)O)CO)OP(=O)(O)O
InChI: InChI=1S/C45H88NO11P/c1-4-7-10-13-16-19-21-23-26-29-32-37(31-28-25-22-18-15-12-9-6-3)34-41(50)56-44-42(45(51)55-39(36-47)43(44)57-58(52,53)54)46-40(49)35-38(48)33-30-27-24-20-17-14-11-8-5-2/h37-39,42-45,47-48,51H,4-36H2,1-3H3,(H,46,49)(H2,52,53,54)/t37?,38?,39-,42-,43-,44-,45?/m1/s1
SMILES: CCCCCC[C@H]1[C@H]2CCCC[C@H]2C(=O)N1S(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H31NO3S/c1-3-4-5-6-11-20-18-9-7-8-10-19(18)21(23)22(20)26(24,25)17-14-12-16(2)13-15-17/h12-15,18-20H,3-11H2,1-2H3/t18-,19+,20-/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC3CC3)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC1)C(=O)OC(C)(C)C
InChI: InChI=1S/C42H43N5O7S2/c1-26(48)52-23-28-24-55-38-34(37(50)47(38)35(28)39(51)54-41(2,3)4)44-36(49)33(46-53-22-27-20-21-27)32-25-56-40(43-32)45-42(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31/h5-19,25,27,34,38H,20-24H2,1-4H3,(H,43,45)(H,44,49)/b46-33-/t34-,38-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)OCCCN(C)C)C.Cl
InChI: InChI=1S/C14H27NO6.ClH/c1-14(2)20-12-11(18-7-5-6-15(3)4)10(9(17)8-16)19-13(12)21-14;/h9-13,16-17H,5-8H2,1-4H3;1H/t9-,10-,11+,12-,13-;/m1./s1
SMILES: CC(=C)C[C@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C(=O)N1C4=CC=CC=C4)C(=O)[O-]
InChI: InChI=1S/C19H19NO4/c1-11(2)10-14-19-9-8-13(24-19)15(18(22)23)16(19)17(21)20(14)12-6-4-3-5-7-12/h3-9,13-16H,1,10H2,2H3,(H,22,23)/p-1/t13-,14+,15+,16+,19-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3OC
InChI: InChI=1S/C18H25N5O2S/c1-12-7-3-5-9-14(12)20-16(24)11-26-18-22-21-17(23(18)19)13-8-4-6-10-15(13)25-2/h4,6,8,10,12,14H,3,5,7,9,11,19H2,1-2H3,(H,20,24)/t12-,14-/m1/s1
SMILES: CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2O)/C=C/C(=O)N3CCCCC3)N4CCCCC4)O)C
InChI: InChI=1S/C24H34N2O4/c1-24(2)23(29)21(26-15-7-4-8-16-26)20-18(30-24)11-9-17(22(20)28)10-12-19(27)25-13-5-3-6-14-25/h9-12,21,23,28-29H,3-8,13-16H2,1-2H3/b12-10+/t21-,23+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NN=C(O2)C3=CC=CO3
InChI: InChI=1S/C17H23N3O3S/c1-10-6-4-7-13(11(10)2)18-15(21)12(3)24-17-20-19-16(23-17)14-8-5-9-22-14/h5,8-13H,4,6-7H2,1-3H3,(H,18,21)/t10-,11-,12-,13-/m1/s1
SMILES: C1[C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@H](C[C@H]([C@@H]([C@@H]2F)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)CCN
InChI: InChI=1S/C18H35FN4O8/c19-11-15(30-17-9(25)3-6(28-17)1-2-20)7(21)4-8(22)16(11)31-18-14(27)12(23)13(26)10(5-24)29-18/h6-18,24-27H,1-5,20-23H2/t6-,7+,8-,9-,10-,11-,12+,13-,14-,15-,16+,17-,18-/m1/s1
SMILES: C/C(=N/NC(=O)[C@H]1C[C@H]1C2=CC=CC=C2)/C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C20H22N2O3/c1-13(16-10-9-15(24-2)11-19(16)25-3)21-22-20(23)18-12-17(18)14-7-5-4-6-8-14/h4-11,17-18H,12H2,1-3H3,(H,22,23)/b21-13-/t17-,18-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC(=O)N(C6=O)CC7=CC=CC=C7)OC
InChI: InChI=1S/C38H42N2O9Si/c1-38(2,3)50(6,7)49-35-29(44-4)13-22(14-30(35)45-5)32-23-15-27-28(48-20-47-27)16-24(23)34(25-19-46-37(43)33(25)32)39-26-17-31(41)40(36(26)42)18-21-11-9-8-10-12-21/h8-17,25,32-34,39H,18-20H2,1-7H3/t25-,32+,33-,34+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2CC3=CC=C(C=C3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H32O12/c1-16(30)36-15-24-25(37-17(2)31)26(38-18(3)32)27(39-19(4)33)29(41-24)40-23-9-7-6-8-22(23)14-20-10-12-21(13-11-20)28(34)35-5/h6-13,24-27,29H,14-15H2,1-5H3/t24-,25-,26+,27-,29-/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br
InChI: InChI=1S/C19H22BrN3O2/c20-15-5-6-17-16(9-15)19(25)23(12-21-17)11-18(24)22-8-7-13-3-1-2-4-14(13)10-22/h5-6,9,12-14H,1-4,7-8,10-11H2/t13-,14-/m1/s1
SMILES: CCCCCC(C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
InChI: InChI=1S/C19H36O11/c1-2-3-4-5-9(22)6-10-13(23)16(26)18(12(8-21)28-10)30-19-17(27)15(25)14(24)11(7-20)29-19/h9-27H,2-8H2,1H3/t9?,10-,11-,12-,13+,14-,15+,16-,17-,18-,19+/m1/s1
SMILES: CCCCN1[C@H]([C@@H](CCC1=O)C(=O)OCC(=O)NC(=O)NC)C2=CC=C(C=C2)OC
InChI: InChI=1S/C21H29N3O6/c1-4-5-12-24-18(26)11-10-16(19(24)14-6-8-15(29-3)9-7-14)20(27)30-13-17(25)23-21(28)22-2/h6-9,16,19H,4-5,10-13H2,1-3H3,(H2,22,23,25,28)/t16-,19+/m1/s1
SMILES: C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N
InChI: InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9-/m1/s1
SMILES: CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H31N3O3/c1-17-6-2-3-7-18(17)16-24-12-14-25(15-13-24)21(27)10-11-26-22(28)19-8-4-5-9-20(19)23(26)29/h2-3,6-7,19-20H,4-5,8-16H2,1H3/p+1/t19-,20+
SMILES: CCC[C@H]([C@H]1[C@@H]2C[C@H](C[C@@H](O2)O1)S(=O)(=O)C3=CC=C(C=C3)C)O
InChI: InChI=1S/C17H24O5S/c1-3-4-14(18)17-15-9-13(10-16(21-15)22-17)23(19,20)12-7-5-11(2)6-8-12/h5-8,13-18H,3-4,9-10H2,1-2H3/t13-,14-,15+,16+,17+/m1/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)NCC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C23H27FN2O2/c1-2-18-16-26(23(28)19-6-4-3-5-7-19)13-12-20(18)14-22(27)25-15-17-8-10-21(24)11-9-17/h3-11,18,20H,2,12-16H2,1H3,(H,25,27)/t18-,20-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CS)O)F
InChI: InChI=1S/C10H13FN2O4S/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(3-18)17-9/h2,5-7,9,14,18H,3H2,1H3,(H,12,15,16)/t5-,6+,7-,9-/m1/s1
SMILES: C1=CC2=C(C=C1O)C3=C4C(=C5C6=C(C=CC(=C6)O)N(C5=C3N2)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)N(C4=O)N
InChI: InChI=1S/C26H22N4O9/c27-30-24(37)17-15-10-5-8(32)1-3-12(10)28-19(15)20-16(18(17)25(30)38)11-6-9(33)2-4-13(11)29(20)26-23(36)22(35)21(34)14(7-31)39-26/h1-6,14,21-23,26,28,31-36H,7,27H2/t14-,21-,22+,23-,26-/m1/s1
SMILES: COC(=O)C(C([C@@H]1[C@H](OC2(O1)CCCCC2)[C@H]3COC4(O3)CCCCC4)O)SC5=CC=CC=C5
InChI: InChI=1S/C26H36O7S/c1-29-24(28)23(34-18-11-5-2-6-12-18)20(27)22-21(32-26(33-22)15-9-4-10-16-26)19-17-30-25(31-19)13-7-3-8-14-25/h2,5-6,11-12,19-23,27H,3-4,7-10,13-17H2,1H3/t19-,20?,21-,22-,23?/m1/s1
SMILES: C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3NC(=O)[C@@H]4CC=CC[C@@H]4C(=O)O
InChI: InChI=1S/C25H26FN3O4/c26-17-9-11-18(12-10-17)28-13-15-29(16-14-28)24(31)21-7-3-4-8-22(21)27-23(30)19-5-1-2-6-20(19)25(32)33/h1-4,7-12,19-20H,5-6,13-16H2,(H,27,30)(H,32,33)/t19-,20+/m1/s1
SMILES: CCOC(=O)/C(=C/C1=C(NC2=CC=CC=C21)[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)/NC(=O)C
InChI: InChI=1S/C42H44N2O8/c1-3-48-42(47)35(43-28(2)46)23-33-32-21-13-14-22-34(32)44-37(33)39-41(51-27-31-19-11-6-12-20-31)40(50-26-30-17-9-5-10-18-30)38(36(24-45)52-39)49-25-29-15-7-4-8-16-29/h4-23,36,38-41,44-45H,3,24-27H2,1-2H3,(H,43,46)/b35-23-/t36-,38-,39-,40+,41-/m1/s1
SMILES: CC(=O)NC12[C@@H]3[C@@H]4C1[C@@H]5[C@H]2C3C6(C45Br)OCCO6
InChI: InChI=1S/C13H14BrNO3/c1-4(16)15-11-5-8-6(11)10-7(11)9(5)12(8,14)13(10)17-2-3-18-13/h5-10H,2-3H2,1H3,(H,15,16)/t5?,6-,7+,8+,9-,10?,11?,12?
SMILES: CCN1C[C@@H]2CCC3=C(C=CC(=C3[C@@H]2C1)OCCC4=CC=CC=C4)OC
InChI: InChI=1S/C23H29NO2/c1-3-24-15-18-9-10-19-21(25-2)11-12-22(23(19)20(18)16-24)26-14-13-17-7-5-4-6-8-17/h4-8,11-12,18,20H,3,9-10,13-16H2,1-2H3/t18-,20+/m0/s1
SMILES: C1[C@H]2[C@H](C2NC(=O)NC3=NC=CN=C3)C4=C(C=CC(=C4O1)F)F
InChI: InChI=1S/C15H12F2N4O2/c16-8-1-2-9(17)14-12(8)11-7(6-23-14)13(11)21-15(22)20-10-5-18-3-4-19-10/h1-5,7,11,13H,6H2,(H2,19,20,21,22)/t7-,11-,13?/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)C
InChI: InChI=1S/C20H30N2O/c1-14-10-15(2)20(16(3)11-14)21-19(23)13-22-9-8-17-6-4-5-7-18(17)12-22/h10-11,17-18H,4-9,12-13H2,1-3H3,(H,21,23)/t17-,18+/m0/s1
SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)[C@H]2[C@@H]([C@@]([C@H]3N2C4=CC=CC=C4C=C3)(C#N)C(=O)OC)C5=CC=CO5
InChI: InChI=1S/C28H22N2O6/c1-17(31)36-20-12-9-19(10-13-20)26(32)25-24(22-8-5-15-35-22)28(16-29,27(33)34-2)23-14-11-18-6-3-4-7-21(18)30(23)25/h3-15,23-25H,1-2H3/t23-,24-,25+,28-/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]([C@@H](C2=O)CC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C19H19NO4/c1-23-15-10-8-14(9-11-15)20-17(19(22)24-2)16(18(20)21)12-13-6-4-3-5-7-13/h3-11,16-17H,12H2,1-2H3/t16-,17-/m0/s1
SMILES: COCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC(=C(C=C2)F)Br
InChI: InChI=1S/C15H16BrFN2O4/c1-8-12(14(20)23-6-5-22-2)13(19-15(21)18-8)9-3-4-11(17)10(16)7-9/h3-4,7,12-13H,1,5-6H2,2H3,(H2,18,19,21)/t12-,13+/m0/s1
SMILES: CC(=O)[C@@H]1[C@H]([C@@H]([C@H]1C(=O)OC)C(=O)OC)C(=O)C
InChI: InChI=1S/C12H16O6/c1-5(13)7-8(6(2)14)10(12(16)18-4)9(7)11(15)17-3/h7-10H,1-4H3/t7-,8-,9+,10+/m1/s1
SMILES: CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C(N=C(N=C43)C#CCN5CCSCC5)N)OC(O2)(C)C
InChI: InChI=1S/C22H29N7O4S/c1-4-24-20(30)16-15-17(33-22(2,3)32-15)21(31-16)29-12-25-14-18(23)26-13(27-19(14)29)6-5-7-28-8-10-34-11-9-28/h12,15-17,21H,4,7-11H2,1-3H3,(H,24,30)(H2,23,26,27)/t15-,16+,17-,21-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]([C@H]2C(=O)[O-])C(=O)NCCCC3=CC=CC=C3
InChI: InChI=1S/C18H23NO3/c20-17(19-10-4-7-12-5-2-1-3-6-12)15-13-8-9-14(11-13)16(15)18(21)22/h1-3,5-6,13-16H,4,7-11H2,(H,19,20)(H,21,22)/p-1/t13-,14+,15+,16+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@H]4CCC[C@@H]([C@@H]4CC[C@H]3[C@@H]1CC[C@@H]2O)O
InChI: InChI=1S/C18H30O2/c1-18-10-9-12-11-3-2-4-16(19)14(11)6-5-13(12)15(18)7-8-17(18)20/h11-17,19-20H,2-10H2,1H3/t11-,12-,13-,14-,15+,16+,17+,18+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2C=CC4=CC(=O)C=C[C@]34C)C
InChI: InChI=1S/C21H26O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h4-5,8,10,12,16-19H,6-7,9,11H2,1-3H3/t16-,17-,18+,19+,20+,21+/m1/s1
SMILES: C[C@H]1CCN(C[C@@H]1C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)C
InChI: InChI=1S/C22H25NO/c1-18-14-16-23(2)17-19(18)13-15-22(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,18-19,24H,14,16-17H2,1-2H3/t18-,19-/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)[C@@H]1[C@H]([C@H]1C2=CC=CC=C2)COCOC
InChI: InChI=1S/C12H15O2.3C4H9.Sn/c1-13-9-14-8-11-7-12(11)10-5-3-2-4-6-10;3*1-3-4-2;/h2-7,11-12H,8-9H2,1H3;3*1,3-4H2,2H3;/t11-,12+;;;;/m0..../s1
SMILES: CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C(C)C)NC(=O)C[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CNCC[C@H]3N
InChI: InChI=1S/C42H67N7O9/c1-25(2)18-29(20-36(50)45-28(22-40(55)56)14-15-39(53)54)46-41(57)31-12-8-9-13-34(31)48-38(52)23-35(26(3)4)49-37(51)21-30(19-27-10-6-5-7-11-27)47-42(58)32-24-44-17-16-33(32)43/h5-7,10-11,25-26,28-35,44H,8-9,12-24,43H2,1-4H3,(H,45,50)(H,46,57)(H,47,58)(H,48,52)(H,49,51)(H,53,54)(H,55,56)/t28-,29-,30-,31+,32+,33+,34+,35+/m0/s1
SMILES: C[C@H]1[C@H](O[C@@H]([NH+]1C)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI: InChI=1S/C17H18ClNO/c1-12-16(13-6-4-3-5-7-13)20-17(19(12)2)14-8-10-15(18)11-9-14/h3-12,16-17H,1-2H3/p+1/t12-,16-,17+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@@H]([C@H](C4)Br)Br)C)C
InChI: InChI=1S/C27H44Br2O/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-25(30)22-14-23(28)24(29)15-27(22,5)21(18)11-12-26(19,20)4/h16-24H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,23+,24+,26-,27-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OS(=O)(=O)C)OS(=O)(=O)C)C
InChI: InChI=1S/C30H34O10S2/c1-29(2)37-27-26(40-42(4,33)34)25(36-28(27)38-29)24(39-41(3,31)32)20-35-30(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24-28H,20H2,1-4H3/t24-,25-,26+,27-,28-/m1/s1
SMILES: CC(=O)NC1=CC(=CC=C1)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C17H16N2O3/c1-9(20)18-12-3-2-4-13(8-12)19-16(21)14-10-5-6-11(7-10)15(14)17(19)22/h2-6,8,10-11,14-15H,7H2,1H3,(H,18,20)/t10-,11+,14-,15+
SMILES: CCOC(=O)C1=CC(=CC=C1)N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]5[C@H]4C5
InChI: InChI=1S/C20H19NO4/c1-2-25-20(24)10-4-3-5-11(8-10)21-18(22)16-12-6-7-13(15-9-14(12)15)17(16)19(21)23/h3-8,12-17H,2,9H2,1H3/t12-,13+,14+,15-,16-,17+
SMILES: CCCCCCNC[C@]1(CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C)O
InChI: InChI=1S/C26H45NO2/c1-4-5-6-7-16-27-18-26(29)15-14-24(2)19(17-26)8-9-20-21-10-11-23(28)25(21,3)13-12-22(20)24/h19-22,27,29H,4-18H2,1-3H3/t19-,20-,21-,22-,24-,25-,26+/m0/s1
SMILES: COC1=C(C=C2[C@H]([C@@H]([C@@H](CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O
InChI: InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15+,20+/m0/s1
SMILES: CO[C@@H]1[C@@H]2[C@@H](O2)[C@H](O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C25H24O4/c1-26-24-23-22(29-23)21(28-24)17-27-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-24H,17H2,1H3/t21-,22+,23+,24+/m1/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCCCCCC2)C(C)C)CCCO
InChI: InChI=1S/C21H37NO4/c1-4-25-21-17(11-10-14-23)18(16(2)3)15-19(26-21)20(24)22-12-8-6-5-7-9-13-22/h15-18,21,23H,4-14H2,1-3H3/t17-,18-,21-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C(C=C(C=C2Br)N)Br)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H24Br2N2O9/c1-8(25)24-16-19(31-11(4)28)18(30-10(3)27)15(7-29-9(2)26)32-20(16)33-17-13(21)5-12(23)6-14(17)22/h5-6,15-16,18-20H,7,23H2,1-4H3,(H,24,25)/t15-,16-,18-,19-,20+/m1/s1
SMILES: CC1=NN(C2=C1[C@@H]3[C@@H](CS2)C(OC4=C3C(=NN4C5=CC=CC=C5)C(F)(F)F)(C)C)C6=CC=CC=C6
InChI: InChI=1S/C26H23F3N4OS/c1-15-19-20-18(14-35-24(19)33(30-15)17-12-8-5-9-13-17)25(2,3)34-23-21(20)22(26(27,28)29)31-32(23)16-10-6-4-7-11-16/h4-13,18,20H,14H2,1-3H3/t18-,20+/m1/s1
SMILES: C1[C@H]([C@@H](C([C@@H]([C@H]1N=C(N)N)O)O)O)N=C(N)N
InChI: InChI=1S/C8H18N6O3/c9-7(10)13-2-1-3(14-8(11)12)5(16)6(17)4(2)15/h2-6,15-17H,1H2,(H4,9,10,13)(H4,11,12,14)/t2-,3+,4+,5-,6?
SMILES: CC(=O)OC[C@@]1([C@H]([C@@H]([C@H](O1)CO)O)OC(=O)C2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)OC(=O)C)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C5=CC=CC=C5)O)O)O
InChI: InChI=1S/C36H44O20/c1-17(39)49-16-36(31(25(42)21(13-37)55-36)54-33(47)20-11-7-4-8-12-20)56-35-30(28(45)29(50-18(2)40)22(14-38)51-35)53-34-27(44)26(43)24(41)23(52-34)15-48-32(46)19-9-5-3-6-10-19/h3-12,21-31,34-35,37-38,41-45H,13-16H2,1-2H3/t21-,22-,23-,24-,25-,26+,27-,28+,29-,30-,31+,34+,35+,36+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=CC=C2F
InChI: InChI=1S/C17H22FNO3/c1-11-7-3-6-10-15(11)19-16(20)12(2)22-17(21)13-8-4-5-9-14(13)18/h4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,19,20)/t11-,12-,15-/m1/s1
SMILES: CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)N[C@@H]3CCCN4[C@H]3CC(=O)N(C4=O)CC5=CC=CC=C5)C6=CC=CC=C6N2
InChI: InChI=1S/C32H37N5O5/c1-32(2,3)42-31(41)36-19-25-22(21-12-7-8-13-23(21)33-25)16-27(36)29(39)34-24-14-9-15-35-26(24)17-28(38)37(30(35)40)18-20-10-5-4-6-11-20/h4-8,10-13,24,26-27,33H,9,14-19H2,1-3H3,(H,34,39)/t24-,26+,27?/m1/s1
SMILES: CC(=C)[C@H]1CN([C@@H]([C@H]1CC(=O)OC)C(=O)OC)C(=O)OC
InChI: InChI=1S/C14H21NO6/c1-8(2)10-7-15(14(18)21-5)12(13(17)20-4)9(10)6-11(16)19-3/h9-10,12H,1,6-7H2,2-5H3/t9-,10+,12-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)N=[N+]=[N-])C
InChI: InChI=1S/C19H29N3/c1-18-9-3-4-16(18)15-6-5-13-12-14(21-22-20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17H,4-8,10-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19-/m0/s1
SMILES: CCCC1(CCC1)C(C2=CC=CC(=C2)[C@H]3[C@@H](C[C@H]([C@@H]3CCCCCCC(=O)OC)Cl)O)O
InChI: InChI=1S/C27H41ClO4/c1-3-14-27(15-9-16-27)26(31)20-11-8-10-19(17-20)25-21(22(28)18-23(25)29)12-6-4-5-7-13-24(30)32-2/h8,10-11,17,21-23,25-26,29,31H,3-7,9,12-16,18H2,1-2H3/t21-,22+,23+,25+,26?/m0/s1
SMILES: C[C@H]1CC[C@@]2([C@H]([C@]1(C)CC3=C(C(=O)C(=CC3=O)OC)OC(=O)C)CCCC2=C)C
InChI: InChI=1S/C24H32O5/c1-14-8-7-9-20-23(14,4)11-10-15(2)24(20,5)13-17-18(26)12-19(28-6)21(27)22(17)29-16(3)25/h12,15,20H,1,7-11,13H2,2-6H3/t15-,20+,23-,24+/m0/s1
SMILES: C1CN(CCN1C[C@@H]2[C@H]([C@@H](OC(O2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)CO)C6=CC=CC=C6)C7=NC=CC=N7
InChI: InChI=1S/C38H39N5O5S/c44-27-28-15-17-30(18-16-28)36-35(29-9-3-1-4-10-29)34(26-42-21-23-43(24-22-42)38-39-19-8-20-40-38)47-37(48-36)31-11-7-12-32(25-31)41-49(45,46)33-13-5-2-6-14-33/h1-20,25,34-37,41,44H,21-24,26-27H2/t34-,35-,36+,37?/m1/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OCCC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)CO)C)O
InChI: InChI=1S/C30H35NO5/c1-21(33)30(2)20-31(29(34)19-32)18-26(30)25-13-14-27(35-3)28(17-25)36-16-15-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h4-14,17,21,26,32-33H,15-16,18-20H2,1-3H3/t21-,26+,30+/m1/s1
SMILES: CC[C@H]1C[C@H](C(=O)N2[C@@H]1OC[C@H]2C3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C22H25NO2/c1-2-17-14-19(13-16-9-5-3-6-10-16)21(24)23-20(15-25-22(17)23)18-11-7-4-8-12-18/h3-12,17,19-20,22H,2,13-15H2,1H3/t17-,19+,20-,22+/m0/s1
SMILES: CC(=O)OCOP1(=O)OCC2C(O1)[C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O
InChI: InChI=1S/C13H16N5O8P/c1-6(19)22-5-24-27(21)23-2-7-10(26-27)9(20)13(25-7)18-4-17-8-11(14)15-3-16-12(8)18/h3-4,7,9-10,13,20H,2,5H2,1H3,(H2,14,15,16)/t7?,9-,10?,13-,27?/m1/s1
SMILES: CC1(OCC(O1)[C@@H]2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OS(=O)(=O)C(F)(F)F)C
InChI: InChI=1S/C13H19F3O8S/c1-11(2)19-5-6(21-11)7-8(24-25(17,18)13(14,15)16)9-10(20-7)23-12(3,4)22-9/h6-10H,5H2,1-4H3/t6?,7-,8-,9-,10-/m1/s1
SMILES: C[C@H](CC(C(C(C)C)(F)F)OC(=O)C(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCOC)C)C
InChI: InChI=1S/C32H50F2O6/c1-19(2)32(33,34)27(40-29(36)28(35)38-7)16-20(3)24-10-11-25-23-9-8-21-17-22(39-18-37-6)12-14-30(21,4)26(23)13-15-31(24,25)5/h8,19-20,22-27H,9-18H2,1-7H3/t20-,22+,23+,24-,25+,26+,27?,30+,31-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](C(=O)N1CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)O)C(=O)SC3=CC=C(C=C3)Cl
InChI: InChI=1S/C24H25ClN2O7S/c1-14(23(30)35-18-10-6-16(25)7-11-18)21-20(24(2,3)31)22(29)26(21)12-19(28)34-13-15-4-8-17(9-5-15)27(32)33/h4-11,14,20-21,31H,12-13H2,1-3H3/t14-,20-,21-/m1/s1
SMILES: [2H][C@]12CC[C@H]([C@@H](N1C(=O)[C@@]3(CC[C@H]([C@@H](N3C2=O)C4=CC=C(C=C4)Br)C)[2H])C5=CC=C(C=C5)Br)C
InChI: InChI=1S/C26H28Br2N2O2/c1-15-3-13-21-26(32)30-22(14-4-16(2)24(30)18-7-11-20(28)12-8-18)25(31)29(21)23(15)17-5-9-19(27)10-6-17/h5-12,15-16,21-24H,3-4,13-14H2,1-2H3/t15-,16-,21-,22+,23-,24-/m1/s1/i21D,22D
SMILES: CC(=C1[C@H]2CC[C@@H]1[C@@H]([C@@H]2C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)C(=O)[O-])C
InChI: InChI=1S/C19H22N2O6/c1-9(2)15-11-5-6-12(15)17(19(23)24)16(11)18(22)20-13-8-10(21(25)26)4-7-14(13)27-3/h4,7-8,11-12,16-17H,5-6H2,1-3H3,(H,20,22)(H,23,24)/p-1/t11-,12+,16-,17+/m1/s1
SMILES: C[C@@H]1C[C@@]([C@@H](C[NH+]1C)C)(CC[NH2+]CC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3
InChI: InChI=1S/C25H36N2O2/c1-19-18-27(3)20(2)16-25(19,22-9-7-6-8-10-22)13-14-26-17-21-11-12-23(28-4)24(15-21)29-5/h6-12,15,19-20,26H,13-14,16-18H2,1-5H3/p+2/t19-,20-,25-/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2/C=N\NC(=O)C3=CC(=CC=C3)Br
InChI: InChI=1S/C15H17BrN2O/c16-14-3-1-2-12(8-14)15(19)18-17-9-13-7-10-4-5-11(13)6-10/h1-3,8-11,13H,4-7H2,(H,18,19)/b17-9-/t10-,11-,13+/m0/s1
SMILES: CC1=C(C[C@@H]([C@H](C1)C(=O)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)O)C
InChI: InChI=1S/C17H19Cl2NO3/c1-9-5-12(13(17(22)23)6-10(9)2)16(21)20-8-11-3-4-14(18)15(19)7-11/h3-4,7,12-13H,5-6,8H2,1-2H3,(H,20,21)(H,22,23)/t12-,13-/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]([C@H]([C@@H]([C@H](C1O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C37H51NO7Si/c1-36(2,3)44-35(40)38-33(39)31(42-25-28-20-14-10-15-21-28)30(41-24-27-18-12-9-13-19-27)32(43-26-29-22-16-11-17-23-29)34(38)45-46(7,8)37(4,5)6/h9-23,30-34,39H,24-26H2,1-8H3/t30-,31-,32+,33?,34+/m1/s1
SMILES: C[C@@]12C3=CC4=C(C=C3C[C@@]1(CCN2CC5=CC=CC=C5)C(=O)OC)OCO4
InChI: InChI=1S/C22H23NO4/c1-21-17-11-19-18(26-14-27-19)10-16(17)12-22(21,20(24)25-2)8-9-23(21)13-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12-14H2,1-2H3/t21-,22+/m1/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)CSC3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C23H20ClNOS/c1-16-7-11-19(12-8-16)25-22(17-5-3-2-4-6-17)21(23(25)26)15-27-20-13-9-18(24)10-14-20/h2-14,21-22H,15H2,1H3/t21-,22-/m1/s1
SMILES: [C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
InChI: InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4+,5+,6+/m0/s1
SMILES: CC(C)C1=C2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC1)COC(=O)C)C)C)(C)C)OC(=O)C)C
InChI: InChI=1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h21,25-28H,10-20H2,1-9H3/t25-,26+,27-,28+,31+,32-,33-,34-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H](CCCCCl)[C@H](C)[C@H](CC(=O)[C@H]([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CC(=C)C)OCC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)OC)C)OCC4=CC=C(C=C4)OC)O
InChI: InChI=1S/C51H75ClO10Si/c1-11-63(12-2,13-3)62-46(16-14-15-29-52)36(6)44(53)31-45(54)50(59-33-39-19-25-42(56-9)26-20-39)49-37(7)48(58-32-38-17-23-41(55-8)24-18-38)51(47(61-49)30-35(4)5)60-34-40-21-27-43(57-10)28-22-40/h17-28,36-37,44,46-51,53H,4,11-16,29-34H2,1-3,5-10H3/t36-,37-,44+,46-,47-,48-,49-,50-,51-/m1/s1
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@@H](C)N(C)C(=O)C)C)\C)OC)(NC(=O)O2)O
InChI: InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20-,25+,26-,27+,30+,33+,34+/m1/s1
SMILES: CC/C(=C/C[C@@H]1[C@@H](C[C@@H]([C@@H](O1)C/C=C\C#C[Si](C)(C)C(C)(C)C)Cl)Br)/Br
InChI: InChI=1S/C21H33Br2ClOSi/c1-7-16(22)12-13-19-17(23)15-18(24)20(25-19)11-9-8-10-14-26(5,6)21(2,3)4/h8-9,12,17-20H,7,11,13,15H2,1-6H3/b9-8-,16-12-/t17-,18+,19-,20+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C22H21NO4/c1-14-9-11-15(12-10-14)22(26)27-17-6-4-5-16(13-17)23-20(24)18-7-2-3-8-19(18)21(23)25/h4-6,9-13,18-19H,2-3,7-8H2,1H3/t18-,19+
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@@H]4COCC=C4)O
InChI: InChI=1S/C30H45N3O5/c1-30(2,3)32-28(35)26-17-22-12-7-8-13-23(22)18-33(26)19-27(34)25(16-21-10-5-4-6-11-21)31-29(36)38-24-14-9-15-37-20-24/h4-6,9-11,14,22-27,34H,7-8,12-13,15-20H2,1-3H3,(H,31,36)(H,32,35)/t22-,23+,24-,25-,26-,27+/m0/s1
SMILES: CC(C)(C)[Si]1(OC[C@@H]2[C@@H](O1)C[C@@H]3[C@@H](O2)[C@H](C(=C)[C@@H](O3)CC(=O)OC)O/C=C/C(=O)OC)C(C)(C)C
InChI: InChI=1S/C25H40O9Si/c1-15-16(13-21(27)29-9)32-18-12-17-19(33-23(18)22(15)30-11-10-20(26)28-8)14-31-35(34-17,24(2,3)4)25(5,6)7/h10-11,16-19,22-23H,1,12-14H2,2-9H3/b11-10+/t16-,17-,18+,19+,22-,23+/m0/s1
SMILES: CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC5CCCCO5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CCOCCO)C(=O)OCCOCC7=CC=CC=C7)OCC=C)C
InChI: InChI=1S/C54H72N2O12/c1-4-27-65-54-49(56(23-29-61-30-26-59)53(60)64-32-31-62-37-40-14-6-5-7-15-40)36-47(55-68-50-18-10-13-28-63-50)45-34-41(16-8-11-24-57)44(17-9-12-25-58)51(52(45)54)46-35-43(21-22-48(46)67-54)66-42-20-19-38(2)39(3)33-42/h4-7,14-15,19-22,33-35,41,44,49-52,57-59H,1,8-13,16-18,23-32,36-37H2,2-3H3/t41-,44+,49-,50?,51+,52+,54+/m0/s1
SMILES: CC(=O)O[C@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)N2CCC3=C2C=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C19H22N2O9/c1-10(22)28-16-9-27-19(18(30-12(3)24)17(16)29-11(2)23)20-7-6-13-4-5-14(21(25)26)8-15(13)20/h4-5,8,16-19H,6-7,9H2,1-3H3/t16-,17-,18+,19+/m0/s1
SMILES: CC1=C(C(=NC=C1N2C(=O)[C@H]3[C@@H](C2=O)C4([C@H](CC3(O4)C)O)C)C#N)C
InChI: InChI=1S/C18H19N3O4/c1-8-9(2)11(7-20-10(8)6-19)21-15(23)13-14(16(21)24)18(4)12(22)5-17(13,3)25-18/h7,12-14,22H,5H2,1-4H3/t12-,13+,14-,17?,18?/m0/s1
SMILES: CCCCCCCCCCCCCCCCS[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=CC(=C6)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C57H79NO7S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-24-37-66-54-41-52(58-63-43-44-26-18-17-19-27-44)50-39-46(29-20-22-34-59)49(31-21-23-35-60)55-51-40-48(64-47-30-25-28-45(38-47)42-61)32-33-53(51)65-57(54,56(50)55)62-36-4-2/h4,17-19,25-28,30,32-33,38-40,42,46,49,54-56,59-60H,2-3,5-16,20-24,29,31,34-37,41,43H2,1H3/t46-,49+,54-,55+,56+,57+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCOC
InChI: InChI=1S/C21H29N3O3S/c1-14-7-6-10-18(15(14)2)24-20(26)16-8-4-5-9-17(16)23-21(24)28-13-19(25)22-11-12-27-3/h4-5,8-9,14-15,18H,6-7,10-13H2,1-3H3,(H,22,25)/t14-,15+,18-/m0/s1