EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)SC)OCC=C)CCCCO)CCCCO)C(=O)OC
InChI: InChI=1S/C38H50N2O8S/c1-6-21-46-38-34(40(2)37(43)44-3)24-32(39-45-4)30-22-25(11-7-9-19-41)29(12-8-10-20-42)35(36(30)38)31-23-27(15-18-33(31)48-38)47-26-13-16-28(49-5)17-14-26/h6,13-18,22-23,25,29,34-36,41-42H,1,7-12,19-21,24H2,2-5H3/t25-,29+,34-,35+,36+,38+/m0/s1
SMILES: C1CC[C@@H]2[C@H](C1)N(C(=C[N+]2=O)C3=CC=CC=C3)[O-]
InChI: InChI=1S/C14H16N2O2/c17-15-10-14(11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)15/h1-3,6-7,10,12-13H,4-5,8-9H2/t12-,13+/m1/s1
SMILES: C[Si](C)(C)C#C[C@@]([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)(C6=NC=CS6)O
InChI: InChI=1S/C43H47NO6SSi/c1-52(2,3)27-24-43(45,42-44-25-26-51-42)41-40(49-31-36-22-14-7-15-23-36)39(48-30-35-20-12-6-13-21-35)38(47-29-34-18-10-5-11-19-34)37(50-41)32-46-28-33-16-8-4-9-17-33/h4-23,25-26,37-41,45H,28-32H2,1-3H3/t37-,38-,39+,40-,41-,43-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@@H]1CC[C@@H]2OC(C)(C)C)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C23H34O2/c1-22(2,3)25-21-11-10-20-19-8-6-15-14-16(24-5)7-9-17(15)18(19)12-13-23(20,21)4/h7,9,14,18-21H,6,8,10-13H2,1-5H3/t18-,19+,20-,21-,23-/m0/s1
SMILES: C#CC1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C#N
InChI: InChI=1S/C11H11N3O4/c1-2-7-6(3-12)13-5-14(7)11-10(17)9(16)8(4-15)18-11/h1,5,8-11,15-17H,4H2/t8-,9-,10-,11-/m1/s1
SMILES: CC(=O)C1=CC2=C(C=C1)N[C@@H]([C@H]3[C@H]2C=CC3)C4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C20H17Cl2NO/c1-11(24)12-6-8-19-16(9-12)14-3-2-4-15(14)20(23-19)13-5-7-17(21)18(22)10-13/h2-3,5-10,14-15,20,23H,4H2,1H3/t14-,15-,20-/m1/s1
SMILES: CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C.C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5
InChI: InChI=1S/C21H29N5O2.C17H18N4O/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21;1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3,6-7,15-18H,1-2,4-5,8-14H2;3-6,10H,7-9H2,1-2H3,(H,18,19)/t15-,16+,17+,18-;
SMILES: CC1=CC(=O)[C@@H]2C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)C)C5=CC=CC=C5OCCO)C(=O)N(C4=O)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)N(C)C
InChI: InChI=1S/C40H40N4O6/c1-23-21-33(46)32-22-31-28(36(40(32,2)37(23)47)29-7-5-6-8-34(29)50-20-19-45)17-18-30-35(31)39(49)44(38(30)48)27-15-11-25(12-16-27)42-41-24-9-13-26(14-10-24)43(3)4/h5-17,21,30-32,35-36,45H,18-20,22H2,1-4H3/t30-,31+,32-,35-,36+,40+/m0/s1
SMILES: CC1=C(C[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C
InChI: InChI=1S/C22H21NO3/c1-14-12-19-20(13-15(14)2)22(25)23(21(19)24)16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-11,19-20H,12-13H2,1-2H3/t19-,20-/m0/s1
SMILES: C1[C@H]2[C@H]3[C@H]4[C@@H]1[C@@H]5[C@@H]2[C@H]6[C@H]3[C@@H]4[C@@]5(O6)NCC7=CC=CC=C7[N+](=O)[O-]
InChI: InChI=1S/C18H18N2O3/c21-20(22)10-4-2-1-3-7(10)6-19-18-15-9-5-8-11-12(9)16(18)14(11)17(23-18)13(8)15/h1-4,8-9,11-17,19H,5-6H2/t8-,9+,11-,12+,13+,14+,15+,16+,17-,18+/m0/s1
SMILES: C[C@@H]1CC[C@@]23[C@@H]1[C@@H]2C(CC[C@@H]3C)(C(C)C)OC
InChI: InChI=1S/C16H28O/c1-10(2)16(17-5)9-7-12(4)15-8-6-11(3)13(15)14(15)16/h10-14H,6-9H2,1-5H3/t11-,12+,13+,14+,15-,16?/m1/s1
SMILES: CC(=O)N[C@@H]1C[C@@H]([C@H](O[C@@H]1OC)COCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C23H29NO5/c1-17(25)24-20-13-21(28-15-19-11-7-4-8-12-19)22(29-23(20)26-2)16-27-14-18-9-5-3-6-10-18/h3-12,20-23H,13-16H2,1-2H3,(H,24,25)/t20-,21+,22-,23+/m1/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CCC3C1CC[C@]2(COC)OC)C5=CC=C(C=C5)/C=N/OC(=O)NC6CCOCC6
InChI: InChI=1S/C34H44N2O6/c1-33-19-29(23-6-4-22(5-7-23)20-35-42-32(38)36-25-13-16-41-17-14-25)31-27-11-9-26(37)18-24(27)8-10-28(31)30(33)12-15-34(33,40-3)21-39-2/h4-7,18,20,25,28-30H,8-17,19,21H2,1-3H3,(H,36,38)/b35-20+/t28?,29-,30?,33+,34-/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=CC=CC(=C5O)CC=C)C(=O)N(C4=O)C6CCN(CC6)CC7=CC=CC=C7)Cl
InChI: InChI=1S/C36H37Cl2N3O5/c1-3-8-22-11-7-12-26(30(22)42)29-24-13-14-25-28(27(24)19-35(37)33(45)39(2)34(46)36(29,35)38)32(44)41(31(25)43)23-15-17-40(18-16-23)20-21-9-5-4-6-10-21/h3-7,9-13,23,25,27-29,42H,1,8,14-20H2,2H3/t25-,27+,28-,29+,35+,36-/m0/s1
SMILES: C1CC(=O)N([C@@H]([C@@H]1S(=O)(=O)C2=CC=CC=C2)CCCOCC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C28H31NO4S/c30-28-19-18-27(34(31,32)25-15-8-3-9-16-25)26(29(28)21-23-11-4-1-5-12-23)17-10-20-33-22-24-13-6-2-7-14-24/h1-9,11-16,26-27H,10,17-22H2/t26-,27-/m1/s1
SMILES: CCOC(=O)[C@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CS3)C(=O)N(C2=O)C)C
InChI: InChI=1S/C15H18N2O4S/c1-4-21-14(20)15(2)10-9(12(18)17(3)13(10)19)11(16-15)8-6-5-7-22-8/h5-7,9-11,16H,4H2,1-3H3/p+1/t9-,10-,11-,15+/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)OCC6=CC=CC(=N6)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C57H82N2O6S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-25-38-66-54-41-52(59-64-42-45-28-19-18-20-29-45)50-39-46(30-21-23-35-60)49(32-22-24-36-61)55-51-40-48(62-43-47-31-26-27-44(3)58-47)33-34-53(51)65-57(54,56(50)55)63-37-5-2/h5,18-20,26-29,31,33-34,39-40,46,49,54-56,60-61H,2,4,6-17,21-25,30,32,35-38,41-43H2,1,3H3/t46-,49+,54-,55+,56+,57+/m0/s1
SMILES: C[C@]1(CC[C@H]2C(=CCC3[C@]2(CCC[C@]3(C)CO)C)C1)C=C
InChI: InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17?,18+,19+,20-/m0/s1
SMILES: C=C[C@H]1C[N@@+]2(CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.[Cl-]
InChI: InChI=1S/C26H29N2O.C20H14O2.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1-12,21-22H;1H/q+1;;/p-1/t20-,21-,25-,26+,28+;;/m0../s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)COC2=CC=C(C=C2)C=O
InChI: InChI=1S/C20H27NO5/c1-13-5-4-6-18(14(13)2)21-20(24)15(3)26-19(23)12-25-17-9-7-16(11-22)8-10-17/h7-11,13-15,18H,4-6,12H2,1-3H3,(H,21,24)/t13-,14-,15-,18-/m1/s1
SMILES: CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@]2(CC3=C([C@H]([C@@H]2[C@H]1O)C)N=C(S3)COC(=O)C(C)(C)C)C
InChI: InChI=1S/C26H42N2O4S/c1-9-28(10-2)23(30)15(3)17-11-12-26(8)13-18-21(16(4)20(26)22(17)29)27-19(33-18)14-32-24(31)25(5,6)7/h15-17,20,22,29H,9-14H2,1-8H3/t15-,16-,17+,20+,22-,26-/m0/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@](O2)(CC3=CC=CC=C3I)C#N)OCC4=CC=C(C=C4)OC)OCC5=CC=C(C=C5)OC
InChI: InChI=1S/C33H36INO7S/c1-4-43-32-31(39-19-23-11-15-26(37-3)16-12-23)30(38-18-22-9-13-25(36-2)14-10-22)29-28(41-32)20-40-33(21-35,42-29)17-24-7-5-6-8-27(24)34/h5-16,28-32H,4,17-20H2,1-3H3/t28-,29-,30+,31-,32+,33+/m1/s1
SMILES: CCOC1=CC=CC=C1NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C19H22N2O4/c1-2-25-16-10-6-5-9-15(16)20-17(22)11-12-21-18(23)13-7-3-4-8-14(13)19(21)24/h3-6,9-10,13-14H,2,7-8,11-12H2,1H3,(H,20,22)/t13-,14-/m1/s1
SMILES: CC(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2C3=CC=CC=C3O)(CCSC)C(=O)[O-]
InChI: InChI=1S/C19H24N2O5S/c1-10(2)21-16(23)13-14(17(21)24)19(18(25)26,8-9-27-3)20-15(13)11-6-4-5-7-12(11)22/h4-7,10,13-15,20,22H,8-9H2,1-3H3,(H,25,26)/t13-,14+,15+,19-/m1/s1
SMILES: CC1=CC(=C(C(=S)N1[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)C#N)C3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C23H22N2O5S/c1-12-9-16(15-8-4-6-13-5-2-3-7-14(13)15)17(10-24)23(31)25(12)22-21(29)20(28)19(27)18(11-26)30-22/h2-9,18-22,26-29H,11H2,1H3/t18-,19-,20-,21-,22-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCNC(=O)N)[C@@]4(C2=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC[C@@H](C9=CC=CC=C9)O
InChI: InChI=1S/C56H52N6O9/c1-35(37-17-6-2-7-18-37)60-55(69)61-44-28-27-36(16-15-29-58-54(57)68)32-43(44)56(53(61)67)46(51(65)59-34-45(64)38-19-8-3-9-20-38)48-52(66)71-49(40-23-12-5-13-24-40)47(39-21-10-4-11-22-39)62(48)50(56)41-25-14-26-42(33-41)70-31-30-63/h2-14,17-28,32-33,35,45-50,63-64H,29-31,34H2,1H3,(H,59,65)(H,60,69)(H3,57,58,68)/t35-,45+,46-,47-,48-,49+,50+,56-/m1/s1
SMILES: CNC(=O)CN(C)C(=O)COC(=O)[C@H]1CCCC[C@@H]1C2=NC3=CC=CC=C3S2
InChI: InChI=1S/C20H25N3O4S/c1-21-17(24)11-23(2)18(25)12-27-20(26)14-8-4-3-7-13(14)19-22-15-9-5-6-10-16(15)28-19/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,21,24)/t13-,14-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1C(=O)OC)C=O)N=[N+]=[N-]
InChI: InChI=1S/C13H23N3O5Si/c1-13(2,3)22(5,6)21-10-9(15-16-14)8(7-17)20-11(10)12(18)19-4/h7-11H,1-6H3/t8-,9-,10-,11-/m1/s1
SMILES: CC1(CC(=O)C2([C@H]3[C@H](C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)ON2)C(=O)C1)C
InChI: InChI=1S/C19H17F3N2O5/c1-17(2)7-11(25)18(12(26)8-17)13-14(29-23-18)16(28)24(15(13)27)10-5-3-4-9(6-10)19(20,21)22/h3-6,13-14,23H,7-8H2,1-2H3/t13-,14+/m0/s1
SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H](C(O2)O)OC(=O)COC3=C(C(=C(C(=C3F)F)F)F)F)OC(=O)COC4=C(C(=C(C(=C4F)F)F)F)F
InChI: InChI=1S/C24H16F10O10/c1-5-38-2-6-19(41-5)22(43-7(35)3-39-20-15(31)11(27)9(25)12(28)16(20)32)23(24(37)42-6)44-8(36)4-40-21-17(33)13(29)10(26)14(30)18(21)34/h5-6,19,22-24,37H,2-4H2,1H3/t5-,6-,19-,22+,23-,24?/m1/s1
SMILES: C1CN(CCN1C2=NNC(=O)C=C2)C3=NC=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C18H22N8O5/c27-7-10-14(29)15(30)18(31-10)26-9-21-13-16(19-8-20-17(13)26)25-5-3-24(4-6-25)11-1-2-12(28)23-22-11/h1-2,8-10,14-15,18,27,29-30H,3-7H2,(H,23,28)/t10-,14-,15-,18-/m1/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)N(C)CC(=O)NC2CC2
InChI: InChI=1S/C17H25N3O7/c1-10-5-14(21)12(13(10)7-20(25)26)6-17(24)27-9-16(23)19(2)8-15(22)18-11-3-4-11/h10-13H,3-9H2,1-2H3,(H,18,22)/t10-,12-,13-/m1/s1
SMILES: C1=CC=C2C(C3=CC=CC=C3[C@@H]4[C@H](C2=C1)C4(F)F)[N+]5=CC=NC=C5.Br
InChI: InChI=1S/C20H15F2N2.BrH/c21-20(22)17-13-5-1-3-7-15(13)19(24-11-9-23-10-12-24)16-8-4-2-6-14(16)18(17)20;/h1-12,17-19H;1H/q+1;/t17-,18+,19?;
SMILES: CCCCCCCCCCC(CCCCCCCCCC)S[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O
InChI: InChI=1S/C27H54O5S/c1-3-5-7-9-11-13-15-17-19-22(20-18-16-14-12-10-8-6-4-2)33-27-25(31)24(30)26(32-27)23(29)21-28/h22-31H,3-21H2,1-2H3/t23-,24-,25-,26+,27+/m1/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)NC2=CC3=C(C=C2)OC4=C3CCCC4)C(=O)[O-]
InChI: InChI=1S/C20H23NO4/c22-19(14-6-1-2-7-15(14)20(23)24)21-12-9-10-18-16(11-12)13-5-3-4-8-17(13)25-18/h9-11,14-15H,1-8H2,(H,21,22)(H,23,24)/p-1/t14-,15+/m0/s1
SMILES: COC(=O)C1=C[C@@H]2[C@H]([C@@](C1)(C#C)O)OC3(O2)CCCCC3
InChI: InChI=1S/C16H20O5/c1-3-15(18)10-11(14(17)19-2)9-12-13(15)21-16(20-12)7-5-4-6-8-16/h1,9,12-13,18H,4-8,10H2,2H3/t12-,13-,15+/m1/s1
SMILES: CC1=C2[C@H](C[C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)[C@H](C1)O)OC(=S)SC)O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H48O4S2Si/c1-16-14-19(30)23-24(31-25(33)34-9)22-17(2)18(29)12-13-28(22,8)15-20(21(16)27(23,6)7)32-35(10,11)26(3,4)5/h18-20,22-24,29-30H,2,12-15H2,1,3-11H3/t18-,19-,20-,22-,23-,24-,28-/m0/s1
SMILES: CC1=CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2C1)C)C(=O)O
InChI: InChI=1S/C29H44O4/c1-17-9-12-29(24(32)33)14-13-27(5)18(19(29)15-17)7-8-22-26(4)16-20(30)23(31)25(2,3)21(26)10-11-28(22,27)6/h7,9,19-23,30-31H,8,10-16H2,1-6H3,(H,32,33)/t19-,20+,21-,22+,23-,26-,27+,28+,29-/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1/C(=N\NC(=O)[C@@H]3COC4=CC=CC=C4O3)/C2
InChI: InChI=1S/C16H16N2O3/c19-16(18-17-12-8-10-4-3-5-11(10)12)15-9-20-13-6-1-2-7-14(13)21-15/h1-4,6-7,10-11,15H,5,8-9H2,(H,18,19)/b17-12-/t10-,11-,15-/m0/s1
SMILES: C[C@@]1(CCCC[C@@H]1OC(=O)C2=CC=CC=C2)[C@]3(CCCC3=C)C
InChI: InChI=1S/C21H28O2/c1-16-10-9-15-20(16,2)21(3)14-8-7-13-18(21)23-19(22)17-11-5-4-6-12-17/h4-6,11-12,18H,1,7-10,13-15H2,2-3H3/t18-,20-,21-/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@H]1CN(C[C@@H]2COC(O2)(C)C)C(=O)C3=CC(=NN3C)C
InChI: InChI=1S/C19H29N3O5/c1-6-25-18(24)15-8-13(15)9-22(10-14-11-26-19(3,4)27-14)17(23)16-7-12(2)20-21(16)5/h7,13-15H,6,8-11H2,1-5H3/t13-,14+,15+/m0/s1
SMILES: CCOC1=CC=C(C=C1)[C@H](NC2=CC=CC=C2)P3(=O)O[C@H]([C@@H](O3)C)C
InChI: InChI=1S/C19H24NO4P/c1-4-22-18-12-10-16(11-13-18)19(20-17-8-6-5-7-9-17)25(21)23-14(2)15(3)24-25/h5-15,19-20H,4H2,1-3H3/t14-,15-,19+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=CC(=C5O)CC=C)C(=O)N(C4=O)CC6=CC=CS6
InChI: InChI=1S/C31H27NO5S/c1-3-6-17-7-4-9-20(29(17)35)25-19-10-11-21-26(31(37)32(30(21)36)15-18-8-5-12-38-18)22(19)14-23-27(25)24(33)13-16(2)28(23)34/h3-5,7-10,12-13,21-22,25-26,35H,1,6,11,14-15H2,2H3/t21-,22+,25+,26-/m0/s1
SMILES: C[C@@H]1[C@H](C2([C@H](CC1=O)C3=CC=C(C=C3)C)C(=O)NC(=S)NC2=O)C4=CC=CC=C4
InChI: InChI=1S/C23H22N2O3S/c1-13-8-10-15(11-9-13)17-12-18(26)14(2)19(16-6-4-3-5-7-16)23(17)20(27)24-22(29)25-21(23)28/h3-11,14,17,19H,12H2,1-2H3,(H2,24,25,27,28,29)/t14-,17+,19-/m0/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CCC4=O)C)N(C)C)O
InChI: InChI=1S/C21H35NO2/c1-20-10-9-14(23)11-13(20)5-6-15-16-7-8-18(24)21(16,2)12-17(19(15)20)22(3)4/h13-17,19,23H,5-12H2,1-4H3/t13-,14+,15-,16-,17+,19+,20-,21-/m0/s1
SMILES: CCC1=NN(C2=C1CCC23CCN(CC3)C[C@H]4C[C@@H](C[C@@H]4C5=CC(=CC(=C5)F)F)N(C)[C@H](C(C)C)C(=O)O)C
InChI: InChI=1S/C31H44F2N4O2/c1-6-27-25-7-8-31(29(25)36(5)34-27)9-11-37(12-10-31)18-21-15-24(35(4)28(19(2)3)30(38)39)17-26(21)20-13-22(32)16-23(33)14-20/h13-14,16,19,21,24,26,28H,6-12,15,17-18H2,1-5H3,(H,38,39)/t21-,24+,26-,28-/m1/s1
SMILES: C([C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)[NH3+])O)O)O
InChI: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/p+1/t2-,3-,4+,5+,6+/m0/s1
SMILES: CC(C)/C=C/C[Se]1(C[C@@]23CC[C@@H](C2(C)C)C[C@H]3O1)Cl
InChI: InChI=1S/C16H27ClOSe/c1-12(2)6-5-9-19(17)11-16-8-7-13(15(16,3)4)10-14(16)18-19/h5-6,12-14H,7-11H2,1-4H3/b6-5+/t13-,14-,16-/m1/s1
SMILES: C[C@@]12CCC3[C@]4([C@H](C[C@H](C(C4CC(=O)[C@]3(C15C(O5)C(=O)O[C@H]2C(=O)O)C)(C)C)O)O)C
InChI: InChI=1S/C23H32O8/c1-19(2)11-8-14(26)22(5)10(21(11,4)13(25)9-12(19)24)6-7-20(3)15(17(27)28)30-18(29)16-23(20,22)31-16/h10-13,15-16,24-25H,6-9H2,1-5H3,(H,27,28)/t10?,11?,12-,13+,15+,16?,20+,21-,22+,23?/m1/s1
SMILES: CC1=C(C=CC(=C1)[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)C(F)(F)F)C(F)(F)F)O
InChI: InChI=1S/C30H21BrCl2F6N2O5/c1-12-6-13(2-5-20(12)42)22-17-3-4-18-21(19(17)10-27(32)25(45)40(11-31)26(46)28(22,27)33)24(44)41(23(18)43)16-8-14(29(34,35)36)7-15(9-16)30(37,38)39/h2-3,5-9,18-19,21-22,42H,4,10-11H2,1H3/t18-,19+,21-,22-,27+,28-/m0/s1
SMILES: C[C@@]1(CCC2=C(C1)CC[C@H]3[C@]2(CCC[C@@]3(C)C(=O)OC)C)C=C
InChI: InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,17H,1,7-14H2,2-5H3/t17-,19-,20-,21+/m0/s1
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=C3C6=C(C=C5)[C@H]([C@@H](C=C6)O)O
InChI: InChI=1S/C26H18O2/c27-23-14-13-20-21(26(23)28)12-11-19-17-7-3-4-8-18(17)24-16-6-2-1-5-15(16)9-10-22(24)25(19)20/h1-14,23,26-28H/t23-,26-/m1/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@H]2[C@@H]3CCCC[C@@]3(CCN2C(=O)C4=CC=C(C=C4)F)O
InChI: InChI=1S/C26H33FN2O2/c1-3-28(4-2)22-14-10-19(11-15-22)24-23-7-5-6-16-26(23,31)17-18-29(24)25(30)20-8-12-21(27)13-9-20/h8-15,23-24,31H,3-7,16-18H2,1-2H3/t23-,24-,26-/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=CC=CC=C3[C@]4(C2=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OCC=C
InChI: InChI=1S/C45H39N3O7/c1-3-27-54-41(50)36-38-42(51)55-39(31-19-11-6-12-20-31)37(30-17-9-5-10-18-30)48(38)40(32-23-25-33(49)26-24-32)45(36)34-21-13-14-22-35(34)47(43(45)52)44(53)46-28(2)29-15-7-4-8-16-29/h3-26,28,36-40,49H,1,27H2,2H3,(H,46,53)/t28-,36+,37+,38+,39-,40-,45+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(O4)C)C
InChI: InChI=1S/C15H22O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14+,15-/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)O[C@@H]4CO[C@H]([C@@H]([C@@H]4OC(=O)C5=CC=CC=C5)O)N6C=CC(=NC6=O)NCC7=CC=CC=C7
InChI: InChI=1S/C44H41N3O8/c1-51-35-22-18-33(19-23-35)44(32-16-10-5-11-17-32,34-20-24-36(52-2)25-21-34)55-37-29-53-41(39(48)40(37)54-42(49)31-14-8-4-9-15-31)47-27-26-38(46-43(47)50)45-28-30-12-6-3-7-13-30/h3-27,37,39-41,48H,28-29H2,1-2H3,(H,45,46,50)/t37-,39-,40-,41-/m1/s1
SMILES: C[C@]12C[C@@H]3[C@@]4(O3)C(C1CC[C@@]25CCC(=O)O5)C6=C(C6)C7=CC(=O)C=C[C@]47C
InChI: InChI=1S/C23H24O4/c1-20-6-3-12(24)9-16(20)13-10-14(13)19-15-4-7-22(8-5-18(25)27-22)21(15,2)11-17-23(19,20)26-17/h3,6,9,15,17,19H,4-5,7-8,10-11H2,1-2H3/t15?,17-,19?,20+,21+,22-,23-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)C)[C@H](C)OCC2=CC=CC=C2)CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C36H48O5Si/c1-26-33(41-35(27(2)34(26)40-29(4)37)28(3)38-25-30-17-11-8-12-18-30)23-24-39-42(36(5,6)7,31-19-13-9-14-20-31)32-21-15-10-16-22-32/h8-22,26-28,33-35H,23-25H2,1-7H3/t26-,27+,28-,33+,34-,35+/m0/s1
SMILES: CC1=CC=C(C=C1)C2=NO[C@@]3(C2)CC(=O)N([C@H]3O)C4=CC(=CC(=C4)Cl)Cl
InChI: InChI=1S/C19H16Cl2N2O3/c1-11-2-4-12(5-3-11)16-9-19(26-22-16)10-17(24)23(18(19)25)15-7-13(20)6-14(21)8-15/h2-8,18,25H,9-10H2,1H3/t18-,19-/m0/s1
SMILES: C[C@]12CC[C@H](C(C1CC[C@@]3(C2C[C@H](C4[C@]3(CC[C@@H]4C5(CC[C@H](O5)C(C)(C)O)C)C)O)C)(C)C)O
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: CC(=CCC[C@@](C)([C@H]1[C@@H](C2=C(C=CC(=C2O1)C=O)O)O)O)C
InChI: InChI=1S/C17H22O5/c1-10(2)5-4-8-17(3,21)16-14(20)13-12(19)7-6-11(9-18)15(13)22-16/h5-7,9,14,16,19-21H,4,8H2,1-3H3/t14-,16-,17+/m1/s1
SMILES: C[C@H]1[C@H](O[C@@H]2CO[C@H](O[C@H]2C1=O)C3=CC=CC=C3)OC
InChI: InChI=1S/C15H18O5/c1-9-12(16)13-11(19-14(9)17-2)8-18-15(20-13)10-6-4-3-5-7-10/h3-7,9,11,13-15H,8H2,1-2H3/t9-,11-,13-,14+,15-/m1/s1
SMILES: C1[C@H]([C@H](C1)/C(=C/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/O)/C(=C/[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)/O
InChI: InChI=1S/C44H38O2P2/c45-43(33-47(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37)41-31-32-42(41)44(46)34-48(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,33-34,41-42H,31-32H2/p+2/b43-33-,44-34-/t41-,42+
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H16N4O5/c23-17-13-6-1-2-7-14(13)18(24)21(17)9-8-15-19-16(20-27-15)11-4-3-5-12(10-11)22(25)26/h1-5,10,13-14H,6-9H2/t13-,14-/m0/s1
SMILES: C[C@]1([C@H]2C[C@H](/C(=C/[C@H]([C@H]3CCO[C@@H]3C1=O)OC4=CC=C(C=C4)OC)/O2)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)SC7=CC=CC=C7
InChI: InChI=1S/C42H46O6SSi/c1-41(2,3)50(32-17-11-7-12-18-32,33-19-13-8-14-20-33)48-37-28-38-42(4,49-31-15-9-6-10-16-31)40(43)39-34(25-26-45-39)35(27-36(37)47-38)46-30-23-21-29(44-5)22-24-30/h6-24,27,34-35,37-39H,25-26,28H2,1-5H3/b36-27-/t34-,35-,37-,38-,39+,42-/m1/s1
SMILES: CCCCCCCCCCCCC[C@H]1[C@@H](C(C(=O)O1)C(=O)OC)C(=O)O
InChI: InChI=1S/C20H34O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18(21)22)17(19(23)25-2)20(24)26-15/h15-17H,3-14H2,1-2H3,(H,21,22)/t15-,16-,17?/m0/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2CC(=O)OCC(=O)NC(=O)NC3=CC=CC=C3F
InChI: InChI=1S/C18H21FN2O4/c19-14-3-1-2-4-15(14)20-18(24)21-16(22)10-25-17(23)9-13-8-11-5-6-12(13)7-11/h1-4,11-13H,5-10H2,(H2,20,21,22,24)/t11-,12-,13+/m0/s1
SMILES: C1=CC2=C(C=C1Br)C(N(C(=O)O2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C13H15BrN2O6/c14-5-1-2-7-6(3-5)11(15)16(13(20)22-7)12-10(19)9(18)8(4-17)21-12/h1-3,8-12,17-19H,4,15H2/t8-,9-,10-,11?,12-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H]([C@@H]2[C@H]3C1=CCN3CC4=CC(=C(C=C24)OC)OC)O)OC
InChI: InChI=1S/C20H25NO6/c1-10(22)27-19-12-5-6-21-9-11-7-14(24-2)15(25-3)8-13(11)16(17(12)21)18(23)20(19)26-4/h5,7-8,16-20,23H,6,9H2,1-4H3/t16-,17+,18-,19+,20+/m0/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN4C[C@@]5(C[C@H]4CC(C5)(C)C)C
InChI: InChI=1S/C25H39NO2/c1-16-7-6-8-25(5)12-21-18(9-20(16)25)19(22(27)28-21)13-26-15-24(4)11-17(26)10-23(2,3)14-24/h17-21H,1,6-15H2,2-5H3/t17-,18-,19-,20+,21-,24-,25-/m1/s1
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C[C@@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)OO)C)C(C)C
InChI: InChI=1S/C31H50O4/c1-8-23(20(2)3)10-9-21(4)26-11-12-27-25-14-18-31(35-33)19-24(34-22(5)32)13-17-30(31,7)28(25)15-16-29(26,27)6/h9-10,14,18,20-21,23-28,33H,8,11-13,15-17,19H2,1-7H3/b10-9+/t21-,23-,24+,25+,26-,27+,28+,29-,30-,31-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O
InChI: InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16-,17+,20+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)OC(=O)N(CCCCN=C(N)N)CCCN=C(N)N)C)C
InChI: InChI=1S/C37H67N7O2/c1-25(2)10-8-11-26(3)30-14-15-31-29-13-12-27-24-28(16-18-36(27,4)32(29)17-19-37(30,31)5)46-35(45)44(23-9-21-43-34(40)41)22-7-6-20-42-33(38)39/h12,25-26,28-32H,6-11,13-24H2,1-5H3,(H4,38,39,42)(H4,40,41,43)/t26-,28?,29?,30-,31?,32?,36+,37-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2O)O[C@H]3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)C)O)C)N)O
InChI: InChI=1S/C33H39NO13/c1-12-27(37)17(34)8-21(44-12)47-32-13(2)45-22(9-18(32)36)46-20-11-33(42,14(3)35)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40/h5-7,12-13,17-18,20-22,27,32,36-37,39,41-42H,8-11,34H2,1-4H3/t12-,13-,17-,18-,20-,21-,22-,27+,32+,33-/m0/s1
SMILES: C1[C@@H]([C@@H]([C@@H]([C@H](O1)NC2=CC=C(C=C2)C(=O)O)O)O)O
InChI: InChI=1S/C12H15NO6/c14-8-5-19-11(10(16)9(8)15)13-7-3-1-6(2-4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)/t8-,9-,10-,11-/m0/s1
SMILES: CC(C)(C)OC(=O)NCC[C@@H]1[C@H](NC(=O)O1)CC2=CC=CC=C2
InChI: InChI=1S/C17H24N2O4/c1-17(2,3)23-15(20)18-10-9-14-13(19-16(21)22-14)11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,18,20)(H,19,21)/t13-,14-/m1/s1
SMILES: C1[C@H]([C@@H]1[C@@]2(C(=O)NC(=O)N2)CC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C21H20N2O4/c24-18(25)15-11-17(15)21(19(26)22-20(27)23-21)12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2,(H,24,25)(H2,22,23,26,27)/t15-,17-,21-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=CC=C3C(=O)O)C4=CC=C(C=C4)F
InChI: InChI=1S/C19H16FNO2/c20-12-9-7-11(8-10-12)17-14-4-1-3-13(14)15-5-2-6-16(19(22)23)18(15)21-17/h1-3,5-10,13-14,17,21H,4H2,(H,22,23)/t13-,14-,17-/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)OCC(=O)NCCSC3=CC=CC=C3
InChI: InChI=1S/C19H25NO3S/c21-18(20-8-9-24-17-4-2-1-3-5-17)13-23-19(22)12-16-11-14-6-7-15(16)10-14/h1-5,14-16H,6-13H2,(H,20,21)/t14-,15+,16+/m0/s1
SMILES: C[C@@H](C(=O)NC1=CN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C25H30N4O10/c1-14(27-25(34)36-11-18-8-6-5-7-9-18)23(33)28-20-10-29(13-26-20)24-22(38-17(4)32)21(37-16(3)31)19(39-24)12-35-15(2)30/h5-10,13-14,19,21-22,24H,11-12H2,1-4H3,(H,27,34)(H,28,33)/t14-,19+,21+,22+,24+/m0/s1
SMILES: CC1=CC(=CC=C1)NC[C@@]2([C@H]([C@@H]([C@@H](CO2)O)O)O)O
InChI: InChI=1S/C13H19NO5/c1-8-3-2-4-9(5-8)14-7-13(18)12(17)11(16)10(15)6-19-13/h2-5,10-12,14-18H,6-7H2,1H3/t10-,11-,12+,13-/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CCCC4)C)O)C
InChI: InChI=1S/C24H40O3/c1-15(7-10-22(26)27)17-8-9-18-16-14-21(25)20-6-4-5-12-23(20,2)19(16)11-13-24(17,18)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
SMILES: CC1=C(C(=O)[C@@]2([C@H](C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)CCCC(=O)O)C)C
InChI: InChI=1S/C30H33NO8/c1-14-15(2)27(36)30(3)20(26(14)35)13-19-17(25(30)16-7-10-21(32)22(12-16)39-4)8-9-18-24(19)29(38)31(28(18)37)11-5-6-23(33)34/h7-8,10,12,18-20,24-25,32H,5-6,9,11,13H2,1-4H3,(H,33,34)/t18-,19+,20-,24-,25-,30+/m0/s1
SMILES: CC1=NN(C2=C1[C@@H]3[C@@H](C2)C3(C)C)C4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C20H20N2/c1-12-18-17(11-15-19(18)20(15,2)3)22(21-12)16-10-6-8-13-7-4-5-9-14(13)16/h4-10,15,19H,11H2,1-3H3/t15-,19+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C2([C@H]3N1N=CC4=CC=CC=C34)C(=O)OC5(CCCCC5)OC2=O)C6=CC(=C(C=C6)OC)OC
InChI: InChI=1S/C30H32N2O8/c1-4-38-26(33)24-23(18-12-13-21(36-2)22(16-18)37-3)30(25-20-11-7-6-10-19(20)17-31-32(24)25)27(34)39-29(40-28(30)35)14-8-5-9-15-29/h6-7,10-13,16-17,23-25H,4-5,8-9,14-15H2,1-3H3/t23-,24+,25+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]([C@H]2C(=O)[O-])C(=O)NC3=NC4=CC=CC=C4S3
InChI: InChI=1S/C16H16N2O3S/c19-14(12-8-5-6-9(7-8)13(12)15(20)21)18-16-17-10-3-1-2-4-11(10)22-16/h1-4,8-9,12-13H,5-7H2,(H,20,21)(H,17,18,19)/p-1/t8-,9+,12+,13+/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)[C@H](C)OC(=O)C)CN4CC[C@H](C4)O
InChI: InChI=1S/C29H38N2O7/c1-18-26(16-31-13-12-25(34)15-31)37-29(38-27(18)23-8-6-22(17-32)7-9-23)24-10-4-21(5-11-24)14-30-28(35)19(2)36-20(3)33/h4-11,18-19,25-27,29,32,34H,12-17H2,1-3H3,(H,30,35)/t18-,19-,25+,26+,27+,29?/m0/s1