EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)/C=C/[C@H]([C@H]1[C@H](OC(O1)(C)C)[C@H](/C=C/COC2CCCCO2)OCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC
InChI: InChI=1S/C35H46O9/c1-5-38-31(36)21-20-30(42-25-27-16-18-28(37-4)19-17-27)34-33(43-35(2,3)44-34)29(41-24-26-12-7-6-8-13-26)14-11-23-40-32-15-9-10-22-39-32/h6-8,11-14,16-21,29-30,32-34H,5,9-10,15,22-25H2,1-4H3/b14-11+,21-20+/t29-,30+,32?,33+,34-/m0/s1
SMILES: CC1=C2CC[C@@]3([C@H]2N([C@@H](C3)C(=O)OC)C(=O)O1)CCC#C[Si](C)(C)C
InChI: InChI=1S/C19H27NO4Si/c1-13-14-8-10-19(9-6-7-11-25(3,4)5)12-15(17(21)23-2)20(16(14)19)18(22)24-13/h15-16H,6,8-10,12H2,1-5H3/t15-,16-,19-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@]34CC(=O)[C@@H](O3)/C(=C/C(=O)OC)/[C@@H]4C(=O)OC
InChI: InChI=1S/C27H30O7Si/c1-26(2,3)35(18-12-8-6-9-13-18,19-14-10-7-11-15-19)34-27-17-21(28)24(33-27)20(16-22(29)31-4)23(27)25(30)32-5/h6-16,23-24H,17H2,1-5H3/b20-16+/t23-,24+,27-/m1/s1
SMILES: CC(C1=CC=CC=C1)[C@H](C[C@@H](CN2CCN(C[C@H]2C(=O)NC(C)(C)C)CC3=CN=CC=C3)O)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O
InChI: InChI=1S/C37H49N5O4/c1-25(27-12-6-5-7-13-27)31(35(45)39-34-30-15-9-8-14-28(30)19-33(34)44)20-29(43)23-42-18-17-41(22-26-11-10-16-38-21-26)24-32(42)36(46)40-37(2,3)4/h5-16,21,25,29,31-34,43-44H,17-20,22-24H2,1-4H3,(H,39,45)(H,40,46)/t25?,29-,31-,32-,33+,34-/m0/s1
SMILES: CS(=O)(=O)O.C1CC[C@@H]2C[C@@H]([C@@H](C[C@H]2C1)C3=CC=CC=C3)N
InChI: InChI=1S/C16H23N.CH4O3S/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12;1-5(2,3)4/h1-3,6-7,13-16H,4-5,8-11,17H2;1H3,(H,2,3,4)/t13-,14-,15+,16+;/m1./s1
SMILES: CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)CN4C(=O)[C@@H]5CC=CC[C@H]5C4=O
InChI: InChI=1S/C24H24N2O5/c1-14-11-19(15(2)26(14)16-7-8-21-22(12-16)31-10-9-30-21)20(27)13-25-23(28)17-5-3-4-6-18(17)24(25)29/h3-4,7-8,11-12,17-18H,5-6,9-10,13H2,1-2H3/t17-,18-/m1/s1
SMILES: CC([13CH3])CC(=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O
InChI: InChI=1S/C15H25NO3S/c1-10(2)7-13(17)16-12-8-11-5-6-15(12,14(11,3)4)9-20(16,18)19/h10-12H,5-9H2,1-4H3/t11-,12-,15-/m1/s1/i1+1/t10?,11-,12-,15-
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN4CCN(CC4)C5=CC=C(C=C5)OC
InChI: InChI=1S/C26H36N2O3/c1-18-5-4-10-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-11-13-28(14-12-27)19-6-8-20(30-3)9-7-19/h6-9,21-24H,1,4-5,10-17H2,2-3H3/t21-,22-,23+,24-,26-/m1/s1
SMILES: C1C[C@@H]2[C@H](C1)C3=C([C@H]4[C@@H]2C(=O)NC4=O)NC5=CC=CC=C53
InChI: InChI=1S/C17H16N2O2/c20-16-13-9-6-3-5-8(9)12-10-4-1-2-7-11(10)18-15(12)14(13)17(21)19-16/h1-2,4,7-9,13-14,18H,3,5-6H2,(H,19,20,21)/t8-,9+,13+,14+/m0/s1
SMILES: CC1=CC2=C(C=C1)N(C=C2)C[C@@H]3C/C=C/[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)N[C@H](CNC3)CC(=O)N)CC(=O)O)C5=CC=C(C=C5)C(C(=O)O)C(=O)O
InChI: InChI=1S/C40H49N5O9/c1-24-8-13-32-28(18-24)14-17-45(32)23-25-6-5-7-30(26-9-11-27(12-10-26)35(37(50)51)38(52)53)31(20-34(47)48)36(49)44-40(15-3-2-4-16-40)39(54)43-29(19-33(41)46)22-42-21-25/h5,7-14,17-18,25,29-31,35,42H,2-4,6,15-16,19-23H2,1H3,(H2,41,46)(H,43,54)(H,44,49)(H,47,48)(H,50,51)(H,52,53)/b7-5+/t25-,29+,30-,31+/m1/s1
SMILES: CC1(O[C@H]2[C@H]3[C@@H]([C@H]([C@@H]([C@H]2O1)OC(=O)C[C@H](C4=CC=CC=C4)SC5=CC=CC=C5N)OC(=O)C(C)(C)C)OC(O3)(C)C)C
InChI: InChI=1S/C32H41NO8S/c1-30(2,3)29(35)37-24-23(25-27(40-31(4,5)38-25)28-26(24)39-32(6,7)41-28)36-22(34)17-21(18-13-9-8-10-14-18)42-20-16-12-11-15-19(20)33/h8-16,21,23-28H,17,33H2,1-7H3/t21-,23+,24+,25-,26-,27-,28-/m1/s1
SMILES: C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)[C@@H](CC(C[C@H](C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)OCC5=CC=CC=C5)O)OCC6=CC=CC=C6)O
InChI: InChI=1S/C39H42N2O7/c42-29(21-34(47-23-25-11-3-1-4-12-25)38(45)40-36-30-17-9-7-15-27(30)19-32(36)43)22-35(48-24-26-13-5-2-6-14-26)39(46)41-37-31-18-10-8-16-28(31)20-33(37)44/h1-18,29,32-37,42-44H,19-24H2,(H,40,45)(H,41,46)/t32-,33-,34-,35-,36+,37+/m1/s1
SMILES: C[C@@]1([C@H]([C@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4OC3=S)O)C(OC)OC
InChI: InChI=1S/C20H20N2O7S/c1-20(18(26-2)27-3)17(23)16(12-10-11(22(24)25)8-9-14(12)29-20)21-13-6-4-5-7-15(13)28-19(21)30/h4-10,16-18,23H,1-3H3/t16-,17-,20+/m0/s1
SMILES: C/C(=N/NC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2)/C3=CC=CC=C3Cl
InChI: InChI=1S/C18H17ClN2O/c1-12(14-9-5-6-10-17(14)19)20-21-18(22)16-11-15(16)13-7-3-2-4-8-13/h2-10,15-16H,11H2,1H3,(H,21,22)/b20-12-/t15-,16-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI: InChI=1S/C21H25NO2/c1-15-7-6-10-20(16(15)2)22-21(23)17-11-13-19(14-12-17)24-18-8-4-3-5-9-18/h3-5,8-9,11-16,20H,6-7,10H2,1-2H3,(H,22,23)/t15-,16+,20+/m0/s1
SMILES: CC(CN1CCN(CC1)[C@@H]2CC3=CC=CC=C3C[C@H]2O)C(=O)C4=CC=CC=C4.Cl.Cl
InChI: InChI=1S/C24H30N2O2.2ClH/c1-18(24(28)19-7-3-2-4-8-19)17-25-11-13-26(14-12-25)22-15-20-9-5-6-10-21(20)16-23(22)27;;/h2-10,18,22-23,27H,11-17H2,1H3;2*1H/t18?,22-,23-;;/m1../s1
SMILES: C[C@]1(CC[C@H](O1)C(C)(C)O)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)O)C
InChI: InChI=1S/C30H52O4/c1-25(2)20-10-15-28(6)21(27(20,5)13-11-22(25)32)17-19(31)24-18(9-14-29(24,28)7)30(8)16-12-23(34-30)26(3,4)33/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20-,21+,22-,23-,24-,27-,28+,29+,30-/m0/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=C(S2)C#N)N3CCCCC3=O)O)C
InChI: InChI=1S/C15H18N2O3S/c1-15(2)14(19)12(17-6-4-3-5-11(17)18)13-10(20-15)7-9(8-16)21-13/h7,12,14,19H,3-6H2,1-2H3/t12-,14+/m1/s1
SMILES: CCOC(=O)/C=C(\C)/C=C/[C@@H]1C[C@]1(C)C2=CC3=C(C(=C2)C)OCC3(C)C
InChI: InChI=1S/C23H30O3/c1-7-25-20(24)10-15(2)8-9-17-13-23(17,6)18-11-16(3)21-19(12-18)22(4,5)14-26-21/h8-12,17H,7,13-14H2,1-6H3/b9-8+,15-10+/t17-,23+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=CC=C3C(=O)NC4=C(C=CC(=C4)Cl)C
InChI: InChI=1S/C23H23ClN2O3/c1-13-7-10-16-18(11-13)23(29)26(22(16)28)20-6-4-3-5-17(20)21(27)25-19-12-15(24)9-8-14(19)2/h3-6,8-9,12-13,16,18H,7,10-11H2,1-2H3,(H,25,27)/t13-,16+,18+/m1/s1
SMILES: CCOC(=O)C1=CSC(=N1)C2=N[C@@](CC2)(C3=NC(=CS3)C(=O)OCC)[C@@H](C4=CSC(=N4)[C@@H]5[C@H](OC(=O)N5)C)N[S@](=O)C6=CC=C(C=C6)C
InChI: InChI=1S/C31H32N6O7S4/c1-5-42-27(38)21-14-45-25(33-21)19-11-12-31(36-19,29-34-22(15-47-29)28(39)43-6-2)24(37-48(41)18-9-7-16(3)8-10-18)20-13-46-26(32-20)23-17(4)44-30(40)35-23/h7-10,13-15,17,23-24,37H,5-6,11-12H2,1-4H3,(H,35,40)/t17-,23+,24-,31-,48-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H]3C(=O)C4=CC=CC=C4[C@@](O2)(O3)OC
InChI: InChI=1S/C18H16O5/c1-20-12-9-7-11(8-10-12)16-17-15(19)13-5-3-4-6-14(13)18(21-2,22-16)23-17/h3-10,16-17H,1-2H3/t16-,17-,18-/m1/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-/m1/s1
SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CCN5CCC(=O)NC5=O
InChI: InChI=1S/C21H26N4O2/c1-24-12-13(5-7-25-8-6-19(26)23-21(25)27)9-16-15-3-2-4-17-20(15)14(11-22-17)10-18(16)24/h2-4,11,13,16,18,22H,5-10,12H2,1H3,(H,23,26,27)/t13-,16-,18-/m1/s1
SMILES: C/C=C\1/CN2CCC3=NC4=CC=CC=C4[C@@]35[C@H]2C[C@@H]1C5C(=O)OC
InChI: InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-16-20(14-6-4-5-7-15(14)21-16)17(22)10-13(12)18(20)19(23)24-2/h3-7,13,17-18H,8-11H2,1-2H3/b12-3-/t13-,17+,18?,20-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H](C4=O)N5CCCCC5)C
InChI: InChI=1S/C24H35NO2/c1-23-10-8-17(26)14-16(23)6-7-18-19(23)9-11-24(2)20(18)15-21(22(24)27)25-12-4-3-5-13-25/h14,18-21H,3-13,15H2,1-2H3/t18-,19+,20+,21+,23+,24+/m1/s1
SMILES: CN1[C@H]2CCNCC[C@H]2C3=C1C=CC(=C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C20H21F3N2O2S/c1-25-18-7-6-15(12-17(18)16-8-10-24-11-9-19(16)25)28(26,27)14-4-2-13(3-5-14)20(21,22)23/h2-7,12,16,19,24H,8-11H2,1H3/t16-,19-/m0/s1
SMILES: CC12[C@@H](CC[C@@]3(C1[C@@H]([C@]45C3CC[C@](C4)(C(=C)C5)O[Si](C)(C)C)C(=O)OC)OC2=O)O[Si](C)(C)C
InChI: InChI=1S/C26H42O6Si2/c1-16-14-24-15-25(16,32-34(7,8)9)12-10-17(24)26-13-11-18(31-33(4,5)6)23(2,22(28)30-26)20(26)19(24)21(27)29-3/h17-20H,1,10-15H2,2-9H3/t17?,18-,19-,20?,23?,24+,25+,26-/m1/s1
SMILES: CCC1=CC2=C(S1)N=CN=C2SCC(=O)N[C@H]3CCC[C@@H]([C@@H]3C)C
InChI: InChI=1S/C18H25N3OS2/c1-4-13-8-14-17(19-10-20-18(14)24-13)23-9-16(22)21-15-7-5-6-11(2)12(15)3/h8,10-12,15H,4-7,9H2,1-3H3,(H,21,22)/t11-,12-,15-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CO)O)O
InChI: InChI=1S/C11H17N2O8P/c1-6-3-13(11(17)12-10(6)16)9-2-7(15)8(21-9)4-20-22(18,19)5-14/h3,7-9,14-15H,2,4-5H2,1H3,(H,18,19)(H,12,16,17)/t7-,8+,9+/m0/s1
SMILES: CC(C)(CCCCNC(=O)C1=CC=C(C=C1)F)CN(C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)S(=O)(=O)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C39H48FN3O10S/c1-39(2,17-6-7-18-41-36(45)27-10-12-28(40)13-11-27)24-43(54(47,48)29-14-15-33-34(21-29)52-25-51-33)22-32(44)31(20-26-8-4-3-5-9-26)42-38(46)53-35-23-50-37-30(35)16-19-49-37/h3-5,8-15,21,30-32,35,37,44H,6-7,16-20,22-25H2,1-2H3,(H,41,45)(H,42,46)/t30-,31-,32+,35-,37+/m0/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@@H]([C@H]4[C@H](C(=O)N4CC3=C)OCC5=CC=CC=C5)O[C@@H]2O1)C
InChI: InChI=1S/C20H23NO5/c1-11-9-21-14(15-13(11)16-19(24-15)26-20(2,3)25-16)17(18(21)22)23-10-12-7-5-4-6-8-12/h4-8,13-17,19H,1,9-10H2,2-3H3/t13-,14-,15-,16+,17+,19+/m0/s1
SMILES: C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)COC2=O
InChI: InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1
SMILES: C[C@H]1[C@H](OC(O[C@@H]1[C@@H](C)C=O)(C)C)CC[C@H](C)/C=C(\C)/C[C@@H](C)C[C@H](C)CSC2=NC3=CC=CC=C3S2
InChI: InChI=1S/C31H47NO3S2/c1-20(13-14-27-25(6)29(24(5)18-33)35-31(7,8)34-27)15-21(2)16-22(3)17-23(4)19-36-30-32-26-11-9-10-12-28(26)37-30/h9-12,15,18,20,22-25,27,29H,13-14,16-17,19H2,1-8H3/b21-15+/t20-,22+,23-,24-,25-,27+,29+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N\OC)/C2=CSC(=N2)N
InChI: InChI=1S/C12H15N5O8S2/c1-5(18)25-3-7-9(11(20)17(7)27(21,22)23)15-10(19)8(16-24-2)6-4-26-12(13)14-6/h4,7,9H,3H2,1-2H3,(H2,13,14)(H,15,19)(H,21,22,23)/b16-8-/t7-,9-/m1/s1
SMILES: C/C=C/CO[C@H]1[C@H]2[C@@H](O[C@H]([C@@H]1OC(=O)C)COCC3=CC=CC=C3)OC(=N2)C
InChI: InChI=1S/C21H27NO6/c1-4-5-11-25-20-18-21(26-14(2)22-18)28-17(19(20)27-15(3)23)13-24-12-16-9-7-6-8-10-16/h4-10,17-21H,11-13H2,1-3H3/b5-4+/t17-,18-,19-,20-,21+/m0/s1
SMILES: C[C@@H]1C(=O)O[C@@H]2[C@]13C[C@@H]4[C@@H](CC[C@@]4(C)O)[C@](C2)(O3)C
InChI: InChI=1S/C15H22O4/c1-8-12(16)18-11-7-14(3)9-4-5-13(2,17)10(9)6-15(8,11)19-14/h8-11,17H,4-7H2,1-3H3/t8-,9-,10-,11+,13-,14+,15+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]([C@]23CCCC3=O)O[Si](C)(C)C
InChI: InChI=1S/C19H29NO4SSi/c1-15-9-11-16(12-10-15)25(22,23)20-14-6-8-18(24-26(2,3)4)19(20)13-5-7-17(19)21/h9-12,18H,5-8,13-14H2,1-4H3/t18-,19+/m0/s1
SMILES: CC(=O)OC[C@@]12CC[C@@H]([C@@H]1[C@@H]3CC[C@@H]4[C@@]5(CC[C@@H](C([C@@H]5CC[C@@]4([C@]3(CC2)C)C)(C)C)OC(=O)C)C)C=C
InChI: InChI=1S/C33H52O4/c1-9-23-12-17-33(20-36-21(2)34)19-18-31(7)24(28(23)33)10-11-26-30(6)15-14-27(37-22(3)35)29(4,5)25(30)13-16-32(26,31)8/h9,23-28H,1,10-20H2,2-8H3/t23-,24-,25-,26+,27-,28+,30+,31-,32-,33-/m0/s1
SMILES: C[C@H]([C@H](C1=CC=CC=C1)OP2OC([C@H]3[C@H](C(O2)(C4=CC=CC=C4)C5=CC=CC=C5)OC(O3)(C)C)(C6=CC=CC=C6)C7=CC=CC=C7)N(C)C
InChI: InChI=1S/C42H44NO5P/c1-31(43(4)5)37(32-21-11-6-12-22-32)46-49-47-41(33-23-13-7-14-24-33,34-25-15-8-16-26-34)38-39(45-40(2,3)44-38)42(48-49,35-27-17-9-18-28-35)36-29-19-10-20-30-36/h6-31,37-39H,1-5H3/t31-,37-,38-,39-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)S(=O)(=O)C4=C(C=CC=C4Cl)Cl
InChI: InChI=1S/C19H20Cl2N2O2S/c1-12-6-7-17-13(10-12)14-11-22(2)9-8-18(14)23(17)26(24,25)19-15(20)4-3-5-16(19)21/h3-7,10,14,18H,8-9,11H2,1-2H3/t14-,18-/m0/s1
SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[C@@H]3[C@H](C(=O)N3C4=CC=C(C=C4)F)CC[C@@H](C5=CC=C(C=C5)F)O
InChI: InChI=1S/C30H25F2NO5S/c31-22-10-6-20(7-11-22)28(34)19-18-27-29(33(30(27)35)24-14-12-23(32)13-15-24)21-8-16-25(17-9-21)38-39(36,37)26-4-2-1-3-5-26/h1-17,27-29,34H,18-19H2/t27-,28+,29-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@]1(CC[C@@H]2CO[Si](C)(C)C(C)(C)C)O)C3=CC=CC=C3
InChI: InChI=1S/C23H38O2Si/c1-21(2,3)26(5,6)25-17-20-13-15-23(24)16-19(12-14-22(20,23)4)18-10-8-7-9-11-18/h7-11,19-20,24H,12-17H2,1-6H3/t19-,20+,22+,23-/m0/s1
SMILES: C[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(CC[C@H](C([C@@H]5CC[C@@]4([C@]3(CC[C@]2(CCC1=C)C)C)C)(C)C)O)C
InChI: InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24+,25-,27+,28+,29-,30-/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CCCC23OCCO3)(C)C)OC(=S)SC
InChI: InChI=1S/C17H28O3S2/c1-15(2)12-6-5-8-17(18-10-11-19-17)16(12,3)9-7-13(15)20-14(21)22-4/h12-13H,5-11H2,1-4H3/t12-,13-,16-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O/C=C\C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C(C)C
InChI: InChI=1S/C26H31NO3S/c1-19(2)23-14-13-20(3)17-26(23)30-16-15-21-18-27(25-12-8-7-11-24(21)25)31(28,29)22-9-5-4-6-10-22/h4-12,15-16,18-20,23,26H,13-14,17H2,1-3H3/b16-15-/t20-,23+,26-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=S)N)O)O
InChI: InChI=1S/C27H47N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)34-20-21-24(32)25(33)26(35-21)30-19-18-22(28)29-27(30)36/h18-19,21,24-26,32-33H,2-17,20H2,1H3,(H2,28,29,36)/t21-,24-,25+,26-/m1/s1
SMILES: CC1(C=COC2=C(O1)C=CC3=C2NC(=O)[C@@]34C[C@]56[C@H](C4(C)C)C[C@@]7(CCCN7C5=O)C(=O)N6C)C
InChI: InChI=1S/C27H31N3O5/c1-23(2)10-12-34-19-16(35-23)8-7-15-18(19)28-20(31)26(15)14-27-17(24(26,3)4)13-25(21(32)29(27)5)9-6-11-30(25)22(27)33/h7-8,10,12,17H,6,9,11,13-14H2,1-5H3,(H,28,31)/t17-,25-,26+,27-/m0/s1
SMILES: C[C@H]1[C@@H](OC(O[C@H]1/C(=C\CCC2=C3C(=CC(=C2O[Si](C)(C)C(C)(C)C)NC(=O)C[C@H](C#C)OC)NC(=O)CS3)/C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C40H66N2O7SSi2/c1-17-28(45-12)23-33(43)41-30-24-31-37(50-25-34(44)42-31)29(36(30)49-52(15,16)39(7,8)9)20-18-19-26(2)35-27(3)32(47-40(10,11)48-35)21-22-46-51(13,14)38(4,5)6/h1,19,24,27-28,32,35H,18,20-23,25H2,2-16H3,(H,41,43)(H,42,44)/b26-19-/t27-,28-,32-,35-/m0/s1
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C21H25N3O4/c1-28-18-9-5-4-8-17(18)22-10-12-23(13-11-22)19(25)14-24-20(26)15-6-2-3-7-16(15)21(24)27/h2-5,8-9,15-16H,6-7,10-14H2,1H3/t15-,16-/m1/s1
SMILES: CCCCCCCCCCCCCCCCC[C@H]1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
InChI: InChI=1S/C23H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-21(26)23(28)22(27)20(18-25)24-19/h19-28H,2-18H2,1H3/t19-,20+,21-,22+,23+/m0/s1
SMILES: CCCCC[C@@H]1CC(=O)C[C@@]2(N1C(=O)OCC3=CC=CC=C3)CCCC4([C@H]2CCCC)O[C@@H]([C@H](O4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C41H51NO5/c1-3-5-10-24-34-28-35(43)29-40(42(34)39(44)45-30-31-18-11-7-12-19-31)26-17-27-41(36(40)25-6-4-2)46-37(32-20-13-8-14-21-32)38(47-41)33-22-15-9-16-23-33/h7-9,11-16,18-23,34,36-38H,3-6,10,17,24-30H2,1-2H3/t34-,36+,37-,38-,40+/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C#CCCO
InChI: InChI=1S/C25H22N2O5S/c28-14-8-7-13-19-15-33-24-20(26-16-29)23(30)27(24)21(19)25(31)32-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,16,20,22,24,28H,8,14-15H2,(H,26,29)/t20-,24-/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C9=CC=C(C=C9)Br)O
InChI: InChI=1S/C42H36BrClN4O6S/c1-5-54-32-16-21(6-14-31(32)49)36-25-12-13-26-35(40(52)47(38(26)50)24-10-7-22(43)8-11-24)28(25)18-29-39(51)48(41(53)42(29,36)3)34-19-30(45-46(34)4)37-20(2)27-17-23(44)9-15-33(27)55-37/h6-12,14-17,19,26,28-29,35-36,49H,5,13,18H2,1-4H3/t26-,28+,29-,35-,36-,42+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](OC1[C@H]([C@H](CN)O)N)(C(=O)O)OC2=CC(=C(C=C2)C=O)OC)OC
InChI: InChI=1S/C20H29N3O9/c1-10(25)23-17-15(30-3)7-20(19(27)28,32-18(17)16(22)13(26)8-21)31-12-5-4-11(9-24)14(6-12)29-2/h4-6,9,13,15-18,26H,7-8,21-22H2,1-3H3,(H,23,25)(H,27,28)/t13-,15-,16-,17+,18?,20+/m0/s1
SMILES: CCOC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1O)O)OC(=O)C2=CC=CC=C2)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H34O9Si/c1-7-27-21(26)30-18-15(13-28-32(5,6)22(2,3)4)29-20(17(24)16(18)23)31-19(25)14-11-9-8-10-12-14/h8-12,15-18,20,23-24H,7,13H2,1-6H3/t15-,16-,17+,18-,20-/m1/s1
SMILES: [Li+].CC(C)[C@H]1CC[C@]2([C@H]3CC[C@]45CCC[C@H]4[C@]2([C@H]1N5C3)C[CH2-])C
InChI: InChI=1S/C21H34N.Li/c1-5-21-17-7-6-10-20(17)12-8-15-13-22(20)18(21)16(14(2)3)9-11-19(15,21)4;/h14-18H,1,5-13H2,2-4H3;/q-1;+1/t15-,16+,17+,18-,19-,20+,21-;/m0./s1
SMILES: C[C@@]1([C@@H]2[C@@H](C[C@H]([NH2+]1)C(=O)[O-])C3=CC=CC=C3N2)CO
InChI: InChI=1S/C14H18N2O3/c1-14(7-17)12-9(6-11(16-14)13(18)19)8-4-2-3-5-10(8)15-12/h2-5,9,11-12,15-17H,6-7H2,1H3,(H,18,19)/t9-,11-,12-,14-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@@H]([C@@H](C)COCC1=CC=C(C=C1)OC)[C@@H](C)C(=O)N2[C@@H]([C@@H](OC2=O)C3=CC=CC=C3)C
InChI: InChI=1S/C31H45NO6Si/c1-8-39(9-2,10-3)38-28(22(4)20-36-21-25-16-18-27(35-7)19-17-25)23(5)30(33)32-24(6)29(37-31(32)34)26-14-12-11-13-15-26/h11-19,22-24,28-29H,8-10,20-21H2,1-7H3/t22-,23+,24+,28-,29+/m0/s1
SMILES: CC[Si](CC)(CC)OCC#CC1=C(N2[C@H]([C@H]1C)[C@H](C2=O)[C@@H](C)O[Si](CC)(CC)CC)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C31H46N2O7Si2/c1-9-41(10-2,11-3)38-21-15-16-26-22(7)28-27(23(8)40-42(12-4,13-5)14-6)30(34)32(28)29(26)31(35)39-25-19-17-24(18-20-25)33(36)37/h17-20,22-23,27-28H,9-14,21H2,1-8H3/t22-,23+,27+,28+/m0/s1
SMILES: CC(C)C[C@H]([C@]1([C@@H]2N(C1=O)C(=CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Br)O
InChI: InChI=1S/C18H19BrN2O6S/c1-10(2)7-14(22)18(19)16(24)20-13(9-28-17(18)20)15(23)27-8-11-3-5-12(6-4-11)21(25)26/h3-6,9-10,14,17,22H,7-8H2,1-2H3/t14-,17-,18+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)N(C1=O)C6=NC=CS6
InChI: InChI=1S/C27H31N5O4S2/c1-17-24-21(32(25(17)33)27-28-13-16-37-27)12-15-30(24)26(34)22-10-6-14-31(22)38(35,36)23-11-5-7-18-19(23)8-4-9-20(18)29(2)3/h4-5,7-9,11,13,16-17,21-22,24H,6,10,12,14-15H2,1-3H3/t17-,21-,22-,24+/m0/s1
SMILES: CO[C@@H]1C[C@@H]([C@H]([C@H]1O)O)N2CNC3=C(N=CN=C32)N
InChI: InChI=1S/C11H17N5O3/c1-19-6-2-5(8(17)9(6)18)16-4-15-7-10(12)13-3-14-11(7)16/h3,5-6,8-9,15,17-18H,2,4H2,1H3,(H2,12,13,14)/t5-,6+,8+,9-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OC(=O)CSC2=NC(=O)[C@H](C(=O)N2)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C22H28N2O4S/c1-13(2)16-10-9-14(3)11-17(16)28-18(25)12-29-22-23-20(26)19(21(27)24-22)15-7-5-4-6-8-15/h4-8,13-14,16-17,19H,9-12H2,1-3H3,(H,23,24,26,27)/t14-,16+,17+/m1/s1
SMILES: C/C(=N/O)/C1=CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C23H35NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h7,16-18,20-21,26H,5-6,8-13H2,1-4H3/b24-14-/t16-,17-,18+,20+,21-,22-,23+/m0/s1
SMILES: C[C@@]12CC[C@H]3C[C@@H]1C(=NC3(C)C)[C@H](C4=C2NC5=CC=CC=C54)O
InChI: InChI=1S/C20H24N2O/c1-19(2)11-8-9-20(3)13(10-11)16(22-19)17(23)15-12-6-4-5-7-14(12)21-18(15)20/h4-7,11,13,17,21,23H,8-10H2,1-3H3/t11-,13+,17-,20+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C(C)C
InChI: InChI=1S/C21H33NO3/c1-14(2)17-8-6-15(3)12-18(17)21(23)22-11-10-16-7-9-19(24-4)20(13-16)25-5/h7,9,13-15,17-18H,6,8,10-12H2,1-5H3,(H,22,23)/t15-,17+,18+/m0/s1
SMILES: CN1C=C(C2=CC=CC=C21)C[C@]3(C(=O)O[C@H]4[C@@]3(OC[C@@H]4O)O)O
InChI: InChI=1S/C16H17NO6/c1-17-7-9(10-4-2-3-5-11(10)17)6-15(20)14(19)23-13-12(18)8-22-16(13,15)21/h2-5,7,12-13,18,20-21H,6,8H2,1H3/t12-,13+,15+,16-/m0/s1
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NO[C@@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C17H10ClN3O5/c18-10-4-6-11(7-5-10)20-16(22)13-14(19-26-15(13)17(20)23)9-2-1-3-12(8-9)21(24)25/h1-8,13,15H/t13-,15-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)C2=C[C@H]3[C@H]4[C@@H]([C@@H](N3C=C2)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC7=CC=CC=C7C=C6
InChI: InChI=1S/C34H23ClN2O4/c35-25-13-10-22(11-14-25)32(39)30-29-28(27-19-24(16-17-36(27)30)31(38)21-7-2-1-3-8-21)33(40)37(34(29)41)26-15-12-20-6-4-5-9-23(20)18-26/h1-19,27-30H/t27-,28-,29-,30+/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=CN=CC=C4)CN5CCOCC5
InChI: InChI=1S/C29H33N3O5/c1-20-26(18-32-13-15-35-16-14-32)36-29(37-27(20)22-6-4-21(19-33)5-7-22)23-8-10-25(11-9-23)31-28(34)24-3-2-12-30-17-24/h2-12,17,20,26-27,29,33H,13-16,18-19H2,1H3,(H,31,34)/t20-,26+,27+,29+/m1/s1
SMILES: CCCN1CC2(CCN(CC2)C(=O)[C@@H]3CCNC[C@H]3C4=C(C=C(C=C4)F)F)C5C1CCCC5
InChI: InChI=1S/C27H39F2N3O/c1-2-13-32-18-27(23-5-3-4-6-25(23)32)10-14-31(15-11-27)26(33)21-9-12-30-17-22(21)20-8-7-19(28)16-24(20)29/h7-8,16,21-23,25,30H,2-6,9-15,17-18H2,1H3/t21-,22+,23?,25?/m1/s1
SMILES: CC[NH+](CC)CC.C1=CC(=CC=C1NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)S(=O)(=O)[O-]
InChI: InChI=1S/C16H17N5O7S.C6H15N/c22-5-10-12(23)13(24)16(28-10)21-7-19-11-14(17-6-18-15(11)21)20-8-1-3-9(4-2-8)29(25,26)27;1-4-7(5-2)6-3/h1-4,6-7,10,12-13,16,22-24H,5H2,(H,17,18,20)(H,25,26,27);4-6H2,1-3H3/t10-,12-,13-,16-;/m1./s1
SMILES: C1[C@H]2CN(C[C@H]2N1)C3=CC(=C(N=C3)Cl)Cl.C(=C\C(=O)O)\C(=O)O
InChI: InChI=1S/C10H11Cl2N3.C4H4O4/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15;5-3(6)1-2-4(7)8/h1,3,6,9,13H,2,4-5H2;1-2H,(H,5,6)(H,7,8)/b;2-1-/t6-,9+;/m0./s1
SMILES: C[C@@]1(C(=O)N(C(=O)N1)CC(=O)N2CCC[C@H]3[C@@H]2CCCC3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C22H29N3O4/c1-22(16-9-11-17(29-2)12-10-16)20(27)25(21(28)23-22)14-19(26)24-13-5-7-15-6-3-4-8-18(15)24/h9-12,15,18H,3-8,13-14H2,1-2H3,(H,23,28)/t15-,18-,22-/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(C2=O)CC4=CC=C(C=C4)C
InChI: InChI=1S/C21H24N2O4S/c1-3-27-18-10-8-17(9-11-18)23-20-14-28(25,26)13-19(20)22(21(23)24)12-16-6-4-15(2)5-7-16/h4-11,19-20H,3,12-14H2,1-2H3/t19-,20+/m0/s1
SMILES: CCCCCCCCCCCCC[C@H]1C[C@H](N[C@H]2CCCC[C@H]2N[C@H](C[C@H](N[C@H]3CCCC[C@H]3N1)C)C)C
InChI: InChI=1S/C34H68N4/c1-5-6-7-8-9-10-11-12-13-14-15-20-30-26-29(4)37-32-22-17-16-21-31(32)35-27(2)25-28(3)36-33-23-18-19-24-34(33)38-30/h27-38H,5-26H2,1-4H3/t27-,28+,29+,30-,31+,32-,33-,34+/m0/s1
SMILES: CC(=O)CC[C@@]1([C@H]2CC[C@@]3([C@@H]4CC(CC(=O)[C@@]4(CC[C@]3([C@@]2(CCC1=O)C)C)C)(C)C)F)C
InChI: InChI=1S/C28H43FO3/c1-18(30)8-11-24(4)19-9-13-28(29)20-16-23(2,3)17-22(32)25(20,5)14-15-27(28,7)26(19,6)12-10-21(24)31/h19-20H,8-17H2,1-7H3/t19-,20-,24-,25-,26-,27+,28+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)Br)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H35BrO17/c1-10(28)35-8-18-20(38-12(3)30)22(40-14(5)32)24(42-16(7)34)26(44-18)36-9-17-19(37-11(2)29)21(39-13(4)31)23(25(27)43-17)41-15(6)33/h17-26H,8-9H2,1-7H3/t17-,18-,19+,20+,21+,22+,23-,24-,25+,26-/m1/s1
SMILES: CCCCCCCCCCCCCCCCOC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C)OC
InChI: InChI=1S/C49H72O9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-26-33-52-37-44(51-3)38-56-49-48(57-40(2)50)47(55-36-43-31-24-19-25-32-43)46(54-35-42-29-22-18-23-30-42)45(58-49)39-53-34-41-27-20-17-21-28-41/h17-25,27-32,44-49H,4-16,26,33-39H2,1-3H3/t44-,45-,46-,47+,48-,49-/m1/s1
SMILES: CC[C@@H](C)N1C(=O)[C@@H]2[C@H](N[C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)Cl)NC3=O)CCSC
InChI: InChI=1S/C20H24ClN3O3S/c1-4-10(2)24-17(25)15-14(7-8-28-3)23-20(16(15)18(24)26)12-9-11(21)5-6-13(12)22-19(20)27/h5-6,9-10,14-16,23H,4,7-8H2,1-3H3,(H,22,27)/t10-,14-,15-,16+,20-/m1/s1
SMILES: CC(C)C(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2[C@H]5C[C@@H]([C@H](O5)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)O
InChI: InChI=1S/C48H46N6O8/c1-31(2)44(56)51-46-50-43-42(45(52-46)62-47(57)54(35-16-10-6-11-17-35)36-18-12-7-13-19-36)49-30-53(43)41-28-39(55)40(61-41)29-60-48(32-14-8-5-9-15-32,33-20-24-37(58-3)25-21-33)34-22-26-38(59-4)27-23-34/h5-27,30-31,39-41,55H,28-29H2,1-4H3,(H,50,51,52,56)/t39-,40+,41+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4([C@H](C[C@@H](C6)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)N7N5C(=O)N(C7=O)C8=CC=CC=C8)C
InChI: InChI=1S/C49H73N3O7SSi2/c1-33-20-22-37(23-21-33)60(55,56)57-32-34(2)38-24-25-39-46(38,9)27-26-40-47(10)41(59-62(13,14)45(6,7)8)30-36(58-61(11,12)44(3,4)5)31-48(47)28-29-49(39,40)52-43(54)50(42(53)51(48)52)35-18-16-15-17-19-35/h15-23,28-29,34,36,38-41H,24-27,30-32H2,1-14H3/t34-,36+,38-,39-,40-,41+,46-,47+,48-,49+/m1/s1
SMILES: COC(=O)/C=C/CC[C@]1([C@@H](O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H20O3/c1-22-18(21)14-8-9-15-20(17-12-6-3-7-13-17)19(23-20)16-10-4-2-5-11-16/h2-8,10-14,19H,9,15H2,1H3/b14-8+/t19-,20+/m0/s1
SMILES: CC1=C2C(=CC(=C1O)O)[C@@]3(CC[C@]4([C@@H]5C[C@](CC[C@@]5(CC[C@@]4(C3=CC2=O)C)C)(C)C(=O)OC)C)C
InChI: InChI=1S/C30H40O5/c1-17-23-18(14-20(32)24(17)33)28(4)11-13-30(6)22-16-27(3,25(34)35-7)9-8-26(22,2)10-12-29(30,5)21(28)15-19(23)31/h14-15,22,32-33H,8-13,16H2,1-7H3/t22-,26-,27-,28+,29-,30+/m1/s1
SMILES: C1C[C@@H]2[C@@H](N[C@H]([C@H](C1)C2=NN)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H23N3/c21-23-20-16-12-7-13-17(20)19(15-10-5-2-6-11-15)22-18(16)14-8-3-1-4-9-14/h1-6,8-11,16-19,22H,7,12-13,21H2/t16-,17+,18-,19-/m0/s1