EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](OC(=O)[C@@H]3N2[C@H]([C@]4([C@H]3C(=O)NCC5=NC6=CC=CC=C6N5)C7=C(C=CC(=C7)C#CCN8C9=CC=CC=C9N=N8)NC4=O)C1=CC(=CC=C1)OCCO)C1=CC=CC=C1
InChI: InChI=1S/C52H42N8O6/c61-27-28-65-36-19-11-18-35(30-36)48-52(37-29-32(24-25-38(37)56-51(52)64)13-12-26-59-42-23-10-9-22-41(42)57-58-59)44(49(62)53-31-43-54-39-20-7-8-21-40(39)55-43)46-50(63)66-47(34-16-5-2-6-17-34)45(60(46)48)33-14-3-1-4-15-33/h1-11,14-25,29-30,44-48,61H,26-28,31H2,(H,53,62)(H,54,55)(H,56,64)/t44-,45-,46-,47+,48+,52-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CN(C)CC#N)C(C)(C)NCC=C
InChI: InChI=1S/C18H31N3O2/c1-6-10-20-18(3,4)15-8-7-14(2)12-16(15)23-17(22)13-21(5)11-9-19/h6,14-16,20H,1,7-8,10-13H2,2-5H3/t14-,15-,16-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC3=NC=CC(=N3)C4=CC=CS4)[NH2+]CC5=CNC6=CC=CC=C65
InChI: InChI=1S/C23H23N5O2S/c1-2-5-16-15(4-1)14(10-25-16)11-26-18-12-29-22-19(13-30-21(18)22)28-23-24-8-7-17(27-23)20-6-3-9-31-20/h1-10,18-19,21-22,25-26H,11-13H2,(H,24,27,28)/p+1/t18-,19-,21+,22+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H]3[C@H](C4=CC=CC=C4OC3=O)C5=C(S2)NC(=O)S5
InChI: InChI=1S/C19H13NO3S2/c21-18-14-13(11-8-4-5-9-12(11)23-18)16-17(20-19(22)25-16)24-15(14)10-6-2-1-3-7-10/h1-9,13-15H,(H,20,22)/t13-,14+,15-/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC=C3C=COCCO)C(=O)NCCO)CCCCC
InChI: InChI=1S/C31H45NO8/c1-3-5-9-14-31(15-10-6-4-2)39-27-22-24(29(35)32-16-17-33)21-26(28(27)40-31)38-30(36)25-12-8-7-11-23(25)13-19-37-20-18-34/h7-8,11-13,19,22,26-28,33-34H,3-6,9-10,14-18,20-21H2,1-2H3,(H,32,35)/t26-,27-,28+/m1/s1
SMILES: C[C@]1(CO[C@@H]([C@H]([C@@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O
InChI: InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12-,13+,14+,15+,16+,17-,18-,19-/m1/s1
SMILES: CC/C(=C/C(=O)O[C@@H]1[C@@H]([C@]2(CC3=C(C(=O)O[C@H]3C[C@H]2C[C@@H]1O)C)C)C)/C
InChI: InChI=1S/C21H30O5/c1-6-11(2)7-18(23)26-19-13(4)21(5)10-15-12(3)20(24)25-17(15)9-14(21)8-16(19)22/h7,13-14,16-17,19,22H,6,8-10H2,1-5H3/b11-7+/t13-,14+,16-,17-,19+,21+/m0/s1
SMILES: CCOC(=O)N(CC1=CC=C(C=C1)OC(F)(F)F)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7=CC=CC=C7)C)O
InChI: InChI=1S/C40H46F3NO6/c1-4-49-34(47)44(24-26-10-12-29(13-11-26)50-40(41,42)43)25-38(48)19-16-32-36(38,3)18-15-31-35(2)17-14-28(45)22-37(35)20-21-39(31,32)30(23-37)33(46)27-8-6-5-7-9-27/h5-13,20-21,23,28,31-32,45,48H,4,14-19,22,24-25H2,1-3H3/t28?,31-,32-,35-,36+,37+,38-,39-/m1/s1
SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)N4CCC[C@H]5[C@H]4CCCC5
InChI: InChI=1S/C25H27N3O2/c1-17-8-10-19(11-9-17)23-26-27-24(30-23)20-12-14-21(15-13-20)25(29)28-16-4-6-18-5-2-3-7-22(18)28/h8-15,18,22H,2-7,16H2,1H3/t18-,22+/m0/s1
SMILES: CC1=C2C[C@@H](C3=CC=CC=C3[C@@H]([C@@](C2(C)C)(C[C@@H]1O[Si](C)(C)C(C)(C)C)O)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C30H52O4Si2/c1-20-23-18-24(31)21-16-14-15-17-22(21)26(34-36(12,13)28(5,6)7)30(32,29(23,8)9)19-25(20)33-35(10,11)27(2,3)4/h14-17,24-26,31-32H,18-19H2,1-13H3/t24-,25-,26-,30+/m0/s1
SMILES: C[C@@H](C(=O)O[C@@H](C)C(=O)NC1=C(C=CC=C1F)F)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H20F2N2O5/c1-10(24-18(26)12-6-3-4-7-13(12)19(24)27)20(28)29-11(2)17(25)23-16-14(21)8-5-9-15(16)22/h3-5,8-13H,6-7H2,1-2H3,(H,23,25)/t10-,11-,12-,13+/m0/s1
SMILES: CC(C)(C)NC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H]3CCCN4[C@H]3CC(=O)N(C4=O)CC5=CC=CC=C5
InChI: InChI=1S/C31H38N6O4/c1-31(2,3)35-29(40)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(39)33-24-14-9-15-36-26(24)17-27(38)37(30(36)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,39)(H2,34,35,40)/t24-,25+,26+/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@@H]6C(=CCN7N6C(=O)N(C7=O)C)[C@@H]([C@@]5(C4=O)C)C8=CC=C(C=C8)O)C
InChI: InChI=1S/C33H29ClN6O5S/c1-16-21-13-18(34)7-10-25(21)46-28(16)23-15-26(37(4)35-23)39-29(42)22-14-24-20(11-12-38-31(44)36(3)32(45)40(24)38)27(33(22,2)30(39)43)17-5-8-19(41)9-6-17/h5-11,13,15,22,24,27,41H,12,14H2,1-4H3/t22-,24+,27-,33+/m0/s1
SMILES: CC1(O[C@@H]2C=C[C@H]([C@H]([C@@]2(O1)C(=O)OC)O)O)C
InChI: InChI=1S/C11H16O6/c1-10(2)16-7-5-4-6(12)8(13)11(7,17-10)9(14)15-3/h4-8,12-13H,1-3H3/t6-,7-,8-,11-/m1/s1
SMILES: C1C[C@H]2[C@@H](N(N=C2/C(=C/C3=CC=CC=C3)/C1)C4=NC(=CS4)C5=CC6=C(C=CC(=C6)Br)OC5=O)C7=CC=CC=C7
InChI: InChI=1S/C32H24BrN3O2S/c33-24-14-15-28-23(17-24)18-26(31(37)38-28)27-19-39-32(34-27)36-30(21-10-5-2-6-11-21)25-13-7-12-22(29(25)35-36)16-20-8-3-1-4-9-20/h1-6,8-11,14-19,25,30H,7,12-13H2/b22-16+/t25-,30+/m1/s1
SMILES: C1=CC=C(C=C1)C2[C@H]3[C@@H]2C(=NN=C3C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C23H18N2/c1-4-10-16(11-5-1)19-20-21(19)23(18-14-8-3-9-15-18)25-24-22(20)17-12-6-2-7-13-17/h1-15,19-21H/t19?,20-,21+
SMILES: CCOCCOC[C@H]1[C@](O1)(C)C#CC(=O)C2=CC=CC=C2O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H34O5Si/c1-8-25-15-16-26-17-21-23(5,27-21)14-13-19(24)18-11-9-10-12-20(18)28-29(6,7)22(2,3)4/h9-12,21H,8,15-17H2,1-7H3/t21-,23-/m0/s1
SMILES: CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H22ClN3O4/c1-23(12-17(25)22-14-8-6-13(21)7-9-14)18(26)10-11-24-19(27)15-4-2-3-5-16(15)20(24)28/h2-3,6-9,15-16H,4-5,10-12H2,1H3,(H,22,25)/t15-,16-/m0/s1
SMILES: C1CC[C@H]2CN[C@H](C[C@H]2C1)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C=O
InChI: InChI=1S/C21H36N6O3/c22-21(23)24-9-3-7-16(13-28)26-19(29)18-8-4-10-27(18)20(30)17-11-14-5-1-2-6-15(14)12-25-17/h13-18,25H,1-12H2,(H,26,29)(H4,22,23,24)/t14-,15+,16+,17-,18+/m1/s1
SMILES: COC1=C(C=C(C=C1)NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)OC
InChI: InChI=1S/C19H25NO5/c1-23-16-6-5-15(10-17(16)24-2)20-18(21)11-25-19(22)9-14-8-12-3-4-13(14)7-12/h5-6,10,12-14H,3-4,7-9,11H2,1-2H3,(H,20,21)/t12-,13+,14-/m0/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC(=CC=C5)C=COCCO)C(=O)N6CCC[C@@H]6C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C45H67N3O12/c1-6-8-10-20-44(21-11-9-7-2)58-36-34-27-45(42(54)47-22-13-16-33(47)40(52)46-32(29-50)17-18-35(51)57-43(3,4)5)38(41(53)56-34)48(60-39(45)37(36)59-44)28-31-15-12-14-30(26-31)19-24-55-25-23-49/h12,14-15,19,24,26,32-34,36-39,49-50H,6-11,13,16-18,20-23,25,27-29H2,1-5H3,(H,46,52)/t32-,33+,34+,36-,37-,38-,39+,45-/m0/s1
SMILES: CO[C@@H]1[C@H](C[C@H](O1)[C@@H](C(=O)OC)O)OCC2=CC=CC=C2
InChI: InChI=1S/C15H20O6/c1-18-14(17)13(16)11-8-12(15(19-2)21-11)20-9-10-6-4-3-5-7-10/h3-7,11-13,15-16H,8-9H2,1-2H3/t11-,12-,13-,15-/m0/s1
SMILES: C[C@H]1C[C@@H]2[C@@](C1=O)(C[C@@]3(C[C@@H]4[C@]2(O3)[C@@H](C(=O)[C@@]5([C@H]4C5(C)C)OC(=O)C)C)CO)O[Si](C)(C)C
InChI: InChI=1S/C25H38O7Si/c1-13-9-17-23(19(13)28,32-33(6,7)8)11-22(12-26)10-16-18-21(4,5)25(18,30-15(3)27)20(29)14(2)24(16,17)31-22/h13-14,16-18,26H,9-12H2,1-8H3/t13-,14+,16-,17+,18+,22-,23+,24+,25+/m0/s1
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(CC4=CC5=CC=CC=C5C=C4)CC(=O)O)O
InChI: InChI=1S/C36H48N7O19P3S/c1-36(2,30(48)33(49)39-10-9-25(44)38-11-12-66-35(50)23(15-26(45)46)14-20-7-8-21-5-3-4-6-22(21)13-20)17-59-65(56,57)62-64(54,55)58-16-24-29(61-63(51,52)53)28(47)34(60-24)43-19-42-27-31(37)40-18-41-32(27)43/h3-8,13,18-19,23-24,28-30,34,47-48H,9-12,14-17H2,1-2H3,(H,38,44)(H,39,49)(H,45,46)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/t23?,24-,28-,29-,30+,34-/m1/s1
SMILES: C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C(=O)CC(=O)C5(C)C)C)C)[C@@H]1CC(CC2)(C)C)C
InChI: InChI=1S/C30H46O2/c1-25(2)13-14-27(5)15-16-28(6)19(20(27)18-25)9-10-22-29(28,7)12-11-21-26(3,4)23(31)17-24(32)30(21,22)8/h9,20-22H,10-18H2,1-8H3/t20-,21-,22-,27+,28+,29+,30-/m0/s1
SMILES: CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C
InChI: InChI=1S/C40H63NO9/c1-9-26-11-10-12-34(50-37-16-15-33(41(5)6)23(3)46-37)22(2)39(43)32-19-30-28(31(32)20-36(42)48-26)14-13-25-17-27(18-29(25)30)49-38-21-35(44-7)40(45-8)24(4)47-38/h13-14,19,22-31,33-35,37-38,40H,9-12,15-18,20-21H2,1-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,35+,37+,38+,40+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C19H22N2O5/c1-12-5-3-4-6-15(12)21-18(24)17(23)20(19(21)25)11-16(22)13-7-9-14(26-2)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3/t12-,15+/m1/s1
SMILES: CC1=CC(=CC=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C18H17ClN2O3S/c1-12-4-2-6-14(8-12)20-16-10-25(23,24)11-17(16)21(18(20)22)15-7-3-5-13(19)9-15/h2-9,16-17H,10-11H2,1H3/t16-,17-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](C=[N+](O[C@@H]1O[C@@H]2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)[O-])C5CCCCC5
InChI: InChI=1S/C29H35NO5/c1-21(31)33-27-25(22-12-5-2-6-13-22)20-30(32)35-28(27)34-26-18-11-19-29(26,23-14-7-3-8-15-23)24-16-9-4-10-17-24/h3-4,7-10,14-17,20,22,25-28H,2,5-6,11-13,18-19H2,1H3/t25-,26-,27-,28+/m1/s1
SMILES: CCOC1=C(C=C2C(=C1)[C@H]3C[C@H](C=C[C@H]3N=C2C4=C(N=CC=C4)OC)O)OC
InChI: InChI=1S/C22H24N2O4/c1-4-28-20-11-15-16-10-13(25)7-8-18(16)24-21(17(15)12-19(20)26-2)14-6-5-9-23-22(14)27-3/h5-9,11-13,16,18,25H,4,10H2,1-3H3/t13-,16+,18+/m0/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=C(C=C5)OCC6=CC=CC=C6)O)C(=O)N(C4=O)C7=CC=C(C=C7)N8CCOCC8)Cl
InChI: InChI=1S/C38H35Cl2N3O7/c1-41-35(47)37(39)20-29-26(32(38(37,40)36(41)48)27-12-11-25(19-30(27)44)50-21-22-5-3-2-4-6-22)13-14-28-31(29)34(46)43(33(28)45)24-9-7-23(8-10-24)42-15-17-49-18-16-42/h2-13,19,28-29,31-32,44H,14-18,20-21H2,1H3/t28-,29+,31-,32+,37+,38-/m0/s1
SMILES: CCCOC1=C(C=C(C=C1)[C@@H]2[C@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(C)C)OC
InChI: InChI=1S/C25H29N5O2/c1-5-10-32-21-7-6-17(11-22(21)31-4)23-20-13-30(16(2)3)9-8-18(20)19(12-26)24(29)25(23,14-27)15-28/h6-8,11,16,20,23H,5,9-10,13,29H2,1-4H3/t20-,23+/m0/s1
SMILES: CCC(=O)[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=O)NC2=O)C
InChI: InChI=1S/C13H21N2O14P3/c1-3-9(16)8-4-11(15-5-7(2)12(17)14-13(15)18)27-10(8)6-26-31(22,23)29-32(24,25)28-30(19,20)21/h5,8,10-11H,3-4,6H2,1-2H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t8-,10-,11-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@]14CC(=O)C[C@@H]4CC2=O)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C22H26O3/c1-21-8-7-18-17-5-4-16(25-2)9-13(17)3-6-19(18)22(21)12-15(23)10-14(22)11-20(21)24/h4-5,9,14,18-19H,3,6-8,10-12H2,1-2H3/t14-,18-,19-,21-,22-/m1/s1
SMILES: CC(=O)OC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4CCCN4[C@@]5([C@@H]3C2=O)C6=C(C=CC(=C6)Cl)NC5=O
InChI: InChI=1S/C24H20ClN3O5/c1-12(29)33-15-7-5-14(6-8-15)28-21(30)19-18-3-2-10-27(18)24(20(19)22(28)31)16-11-13(25)4-9-17(16)26-23(24)32/h4-9,11,18-20H,2-3,10H2,1H3,(H,26,32)/t18-,19+,20+,24-/m1/s1
SMILES: CC1([C@H]([C@H]1C(=O)NCCOC(=O)NC2=CC=CC3=CC=CC=C32)C=C(Cl)Cl)C
InChI: InChI=1S/C21H22Cl2N2O3/c1-21(2)15(12-17(22)23)18(21)19(26)24-10-11-28-20(27)25-16-9-5-7-13-6-3-4-8-14(13)16/h3-9,12,15,18H,10-11H2,1-2H3,(H,24,26)(H,25,27)/t15-,18-/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: C[C@H]1C[C@@H](CC[C@@H]1NC2=NC(=NC3=C2C=C(C=C3)C)/C=C/C4=CC=CC=N4)N
InChI: InChI=1S/C23H27N5/c1-15-6-9-21-19(13-15)23(27-20-10-7-17(24)14-16(20)2)28-22(26-21)11-8-18-5-3-4-12-25-18/h3-6,8-9,11-13,16-17,20H,7,10,14,24H2,1-2H3,(H,26,27,28)/b11-8+/t16-,17+,20-/m0/s1
SMILES: CC1(O[C@@H]2[C@@H](CC(=O)[C@H]([C@H]2O1)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C23H26O5/c1-23(2)27-21-19(25-14-16-9-5-3-6-10-16)13-18(24)20(22(21)28-23)26-15-17-11-7-4-8-12-17/h3-12,19-22H,13-15H2,1-2H3/t19-,20-,21-,22-/m1/s1
SMILES: CC(C)C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCOC)[C@@]3([NH2+]1)C4=C(C=CC(=C4)Cl)NC3=O
InChI: InChI=1S/C20H24ClN3O4/c1-10(2)8-14-15-16(18(26)24(17(15)25)6-7-28-3)20(23-14)12-9-11(21)4-5-13(12)22-19(20)27/h4-5,9-10,14-16,23H,6-8H2,1-3H3,(H,22,27)/p+1/t14-,15+,16-,20-/m0/s1
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)F
InChI: InChI=1S/C12H13FN2O9/c13-9-11(18)10(17)8(4-16)24-12(9)23-7-2-1-5(14(19)20)3-6(7)15(21)22/h1-3,8-12,16-18H,4H2/t8-,9-,10+,11-,12-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CC3=NC=CN=C3C=C2
InChI: InChI=1S/C19H22N4O4/c1-12-4-2-3-5-14(12)22-19(26)23-17(24)11-27-18(25)13-6-7-15-16(10-13)21-9-8-20-15/h6-10,12,14H,2-5,11H2,1H3,(H2,22,23,24,26)/t12-,14-/m1/s1
SMILES: CC1=CC2=C(CC(=O)[C@H]3[C@]2(C[C@H]([C@@H]4[C@]3(CC=CC4)C)O[Si](C)(C)C(C)(C)C)C)C(=C1)OCOC
InChI: InChI=1S/C29H44O4Si/c1-19-14-22-20(24(15-19)32-18-31-7)16-23(30)26-28(5)13-11-10-12-21(28)25(17-29(22,26)6)33-34(8,9)27(2,3)4/h10-11,14-15,21,25-26H,12-13,16-18H2,1-9H3/t21-,25-,26-,28-,29+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@](O1)(N2C=CC(=O)NC2=O)[Se]C3=CC=CC=C3)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H22N2O9Se/c1-12(24)29-11-16-18(30-13(2)25)19(31-14(3)26)21(32-16,33-15-7-5-4-6-8-15)23-10-9-17(27)22-20(23)28/h4-10,16,18-19H,11H2,1-3H3,(H,22,27,28)/t16-,18-,19-,21+/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CC5C4[C@@H]([C@]6(O5)CC[C@@H](CO6)C)C)C)C
InChI: InChI=1S/C43H72O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-39(44)46-34-23-25-41(4)33(28-34)20-21-35-36(41)24-26-42(5)37(35)29-38-40(42)32(3)43(47-38)27-22-31(2)30-45-43/h20,31-32,34-38,40H,6-19,21-30H2,1-5H3/t31-,32-,34-,35?,36?,37?,38?,40?,41-,42-,43+/m0/s1
SMILES: COCO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC(=NN5C=C4)N)C(=O)[O-]
InChI: InChI=1S/C20H20N10O6S2/c1-35-8-36-26-12(15-24-20(22)38-27-15)16(31)23-13-17(32)30-14(19(33)34)9(7-37-18(13)30)6-28-4-5-29-11(28)3-2-10(21)25-29/h2-5,13,18H,6-8H2,1H3,(H5-,21,22,23,24,25,27,31,33,34)/b26-12-/t13-,18-/m1/s1
SMILES: CC(C)/C=C/C[C@@H]1C2CCC(=C)[C@@]2(CCC1[C@]3(CC[C@@H](C[C@@H]3O)O)C)C.CC(=O)[O-].[NH4+]
InChI: InChI=1S/C24H40O2.C2H4O2.H3N/c1-16(2)7-6-8-19-20-10-9-17(3)23(20,4)14-12-21(19)24(5)13-11-18(25)15-22(24)26;1-2(3)4;/h6-7,16,18-22,25-26H,3,8-15H2,1-2,4-5H3;1H3,(H,3,4);1H3/b7-6+;;/t18-,19+,20?,21?,22-,23-,24+;;/m0../s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC
InChI: InChI=1S/C22H34O2/c1-14(24-4)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,2)20(17)10-12-22(18,19)3/h13-14,17-20H,5-12H2,1-4H3/t14-,17-,18+,19-,20-,21-,22+/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@H]([C@@H]([C@H](NC[C@@H](C[C@]2(C)O)C)C)O)C)C3CCCC3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)OC)C)O)N(C)C
InChI: InChI=1S/C40H74N2O11/c1-21-18-39(8,47)36(53-38-32(44)29(42(10)11)17-22(2)49-38)24(4)33(51-30-19-40(9,48-12)35(45)27(7)50-30)25(5)37(46)52-34(28-15-13-14-16-28)23(3)31(43)26(6)41-20-21/h21-36,38,41,43-45,47H,13-20H2,1-12H3/t21-,22-,23-,24+,25-,26-,27+,29+,30+,31+,32-,33+,34+,35+,36-,38+,39+,40-/m1/s1
SMILES: CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)CO
InChI: InChI=1S/C46H66O17/c1-9-10-11-12-13-14-38(50)61-42-30(21-40(52)57-8)20-33-24-36(27-47)60-41(53)23-31(49)22-34-25-37(58-28(2)48)44(5,6)45(54,62-34)26-35-18-29(19-39(51)56-7)17-32(59-35)15-16-43(3,4)46(42,55)63-33/h11-16,19,21,31-37,42,47,49,54-55H,9-10,17-18,20,22-27H2,1-8H3/b12-11+,14-13+,16-15+,29-19+,30-21+/t31-,32+,33+,34-,35+,36-,37+,42+,45+,46-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC[C@@H](COC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)O
InChI: InChI=1S/C24H31F2NO2/c1-16-4-3-5-23(17(16)2)27-14-22(28)15-29-24(18-6-10-20(25)11-7-18)19-8-12-21(26)13-9-19/h6-13,16-17,22-24,27-28H,3-5,14-15H2,1-2H3/t16-,17-,22+,23+/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@H]4CC(=O)[C@@H]([C@@H]3C2=O)C5=CC=CC=C45)C
InChI: InChI=1S/C22H19NO3/c1-11-7-8-13(9-12(11)2)23-21(25)19-16-10-17(24)18(20(19)22(23)26)15-6-4-3-5-14(15)16/h3-9,16,18-20H,10H2,1-2H3/t16-,18-,19+,20-/m0/s1
SMILES: COCOC1=C2C(=CC3=C1[C@@H]4C[C@@H](O[C@@H]4O3)O)C(=O)C5=C(C2=O)C(=CC(=C5)OCOCC[Si](C)(C)C)OCOCC[Si](C)(C)C
InChI: InChI=1S/C32H44O11Si2/c1-36-16-41-31-27-22-15-25(33)43-32(22)42-24(27)14-21-28(31)30(35)26-20(29(21)34)12-19(39-17-37-8-10-44(2,3)4)13-23(26)40-18-38-9-11-45(5,6)7/h12-14,22,25,32-33H,8-11,15-18H2,1-7H3/t22-,25+,32-/m0/s1
SMILES: C1[C@@H]([C@H]1NC(=O)C2=COC(=N2)C3=CC=C(C=C3)/C(=C\CCCCC(=O)O)/C4=CN=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C31H29N3O4/c35-29(36)12-6-2-5-11-25(24-10-7-17-32-19-24)22-13-15-23(16-14-22)31-34-28(20-38-31)30(37)33-27-18-26(27)21-8-3-1-4-9-21/h1,3-4,7-11,13-17,19-20,26-27H,2,5-6,12,18H2,(H,33,37)(H,35,36)/b25-11+/t26-,27+/m1/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C(=CC=C6)F)O)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C40H36FNO5/c41-32-18-10-17-28(37(32)45)35-26-19-20-27-34(39(47)42(38(27)46)25-15-8-3-9-16-25)30(26)21-31-36(44)29(23-11-4-1-5-12-23)22-33(43)40(31,35)24-13-6-2-7-14-24/h1-2,4-7,10-14,17-19,22,25,27,30-31,34-35,45H,3,8-9,15-16,20-21H2/t27-,30+,31-,34-,35+,40-/m0/s1
SMILES: COC1=C(C=C(C=C1)C(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)Cl
InChI: InChI=1S/C20H20ClNO6/c1-27-17-7-6-12(10-15(17)21)16(23)11-28-18(24)8-9-22-19(25)13-4-2-3-5-14(13)20(22)26/h2-3,6-7,10,13-14H,4-5,8-9,11H2,1H3/t13-,14-/m0/s1
SMILES: COC1=C2C(=CC=C1)SC3=C2NC(=O)N(C3=O)CCN4C[C@@H]5CCC6=C([C@@H]5C4)C=CC=C6OC
InChI: InChI=1S/C26H27N3O4S/c1-32-19-6-3-5-16-17(19)10-9-15-13-28(14-18(15)16)11-12-29-25(30)24-23(27-26(29)31)22-20(33-2)7-4-8-21(22)34-24/h3-8,15,18H,9-14H2,1-2H3,(H,27,31)/t15-,18+/m0/s1
SMILES: C1=CC=C(C=C1)C[C@H](C(=O)OC[C@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)N
InChI: InChI=1S/C15H21NO7/c16-9(6-8-4-2-1-3-5-8)14(20)22-7-10-11(17)12(18)13(19)15(21)23-10/h1-5,9-13,15,17-19,21H,6-7,16H2/t9-,10+,11+,12+,13-,15+/m1/s1
SMILES: CC1([C@H](C[C@]23[C@@H]4CC(=O)N2CC=C5[C@]1(N3C6=C4C=CC(=C6)Br)NC(=O)N5)Cl)C
InChI: InChI=1S/C20H20BrClN4O2/c1-18(2)14(22)9-19-12-8-16(27)25(19)6-5-15-20(18,24-17(28)23-15)26(19)13-7-10(21)3-4-11(12)13/h3-5,7,12,14H,6,8-9H2,1-2H3,(H2,23,24,28)/t12-,14+,19+,20-/m1/s1
SMILES: C1=CC=C2C(=C1)C=CC3=C(C4=C(C=C[C@@H]([C@H]4O)O)C(=C32)CO)CO
InChI: InChI=1S/C20H18O4/c21-9-15-14-7-8-17(23)20(24)19(14)16(10-22)13-6-5-11-3-1-2-4-12(11)18(13)15/h1-8,17,20-24H,9-10H2/t17-,20+/m0/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)O)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C29H43N5O6Si2/c1-17(2)41(18(3)4)37-14-22-25(39-42(40-41,19(5)6)20(7)8)24(35)29(38-22)34-16-32-23-26(30-15-31-27(23)34)33-28(36)21-12-10-9-11-13-21/h9-13,15-20,22,24-25,29,35H,14H2,1-8H3,(H,30,31,33,36)/t22-,24-,25+,29-/m1/s1
SMILES: CCNC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@@H]3O[C@@H]([C@@H]([C@@H](O3)C4=CC=C(C=C4)CO)C)CSC5=CC=CC=C5C(=O)O
InChI: InChI=1S/C36H38N2O6S/c1-3-37-36(42)38-20-28-8-4-5-9-29(28)25-16-18-27(19-17-25)35-43-31(22-45-32-11-7-6-10-30(32)34(40)41)23(2)33(44-35)26-14-12-24(21-39)13-15-26/h4-19,23,31,33,35,39H,3,20-22H2,1-2H3,(H,40,41)(H2,37,38,42)/t23-,31+,33+,35+/m0/s1
SMILES: CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)N[C@@H]2CCC[C@@H]([C@@H]2C)C
InChI: InChI=1S/C16H30N2O3S/c1-4-22(20,21)18-10-6-8-14(11-18)16(19)17-15-9-5-7-12(2)13(15)3/h12-15H,4-11H2,1-3H3,(H,17,19)/t12-,13-,14-,15+/m0/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(CCOCCO)C(=O)C6=CC=C(C=C6)C#N)OCC=C)C=O
InChI: InChI=1S/C48H57N3O11/c1-4-23-60-48-44(51(19-24-59-25-22-54)47(56)33-13-11-32(30-49)12-14-33)29-41(50-58-3)39-27-34(9-5-7-20-52)38(10-6-8-21-53)45(46(39)48)40-28-37(16-18-43(40)62-48)61-36-15-17-42(57-2)35(26-36)31-55/h4,11-18,26-28,31,34,38,44-46,52-54H,1,5-10,19-25,29H2,2-3H3/t34-,38+,44-,45+,46+,48+/m0/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6+,7-,8-/m1/s1
SMILES: CCN1C(=NN=C1SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)C4=CC=C(C=C4)NC(=O)C
InChI: InChI=1S/C21H27N5O2S/c1-3-26-20(15-6-8-17(9-7-15)22-13(2)27)24-25-21(26)29-12-19(28)23-18-11-14-4-5-16(18)10-14/h6-9,14,16,18H,3-5,10-12H2,1-2H3,(H,22,27)(H,23,28)/t14-,16+,18-/m0/s1
SMILES: CN1C[C@H]([C@H]([C@@H]1C(=O)C2=CC=CC=C2)N)[C@H](C3=CC=CC=C3)O
InChI: InChI=1S/C19H22N2O2/c1-21-12-15(18(22)13-8-4-2-5-9-13)16(20)17(21)19(23)14-10-6-3-7-11-14/h2-11,15-18,22H,12,20H2,1H3/t15-,16-,17-,18+/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2CC(=O)N[C@H]2CN=[N+]=[N-])OC3CCCC3
InChI: InChI=1S/C17H22N4O3/c1-23-15-7-6-11(8-16(15)24-12-4-2-3-5-12)13-9-17(22)20-14(13)10-19-21-18/h6-8,12-14H,2-5,9-10H2,1H3,(H,20,22)/t13-,14+/m1/s1
SMILES: CC1=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)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)N=NC9=CC=C(C=C9)N(C)C)O
InChI: InChI=1S/C47H38Cl2F3N7O5/c1-24-5-4-6-34(40(24)60)39-32-19-20-33-38(44(63)58(42(33)61)31-17-13-29(14-18-31)55-54-28-11-15-30(16-12-28)57(2)3)35(32)22-36-43(62)59(45(64)46(36,39)25-7-9-27(48)10-8-25)56-41-37(49)21-26(23-53-41)47(50,51)52/h4-19,21,23,33,35-36,38-39,60H,20,22H2,1-3H3,(H,53,56)/t33-,35+,36-,38-,39+,46+/m0/s1
SMILES: CC1CC(=O)[C@@H]2[C@H]([C@]3([C@@]2([C@@]1(CC3)C)C)C)CC/C(=C/CCC4=CC(=O)OC4)/C
InChI: InChI=1S/C25H36O3/c1-16(7-6-8-18-14-21(27)28-15-18)9-10-19-22-20(26)13-17(2)23(3)11-12-24(19,4)25(22,23)5/h7,14,17,19,22H,6,8-13,15H2,1-5H3/b16-7+/t17?,19-,22+,23-,24+,25+/m1/s1
SMILES: C[C@@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)C(=C[C@]34C)C=O)O)C)O
InChI: InChI=1S/C21H28O4/c1-19-9-12(11-22)16(23)8-13(19)4-5-14-15-6-7-21(3,25)20(15,2)10-17(24)18(14)19/h8-9,11,14-15,17-18,24-25H,4-7,10H2,1-3H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1
SMILES: C1CC2=C([C@H]([C@@H]1OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=C(S2)C6=CC=CC7=C6C5=CC=C7
InChI: InChI=1S/C32H22O4S/c33-31(20-9-3-1-4-10-20)35-24-17-18-25-28(29(24)36-32(34)21-11-5-2-6-12-21)27-22-15-7-13-19-14-8-16-23(26(19)22)30(27)37-25/h1-16,24,29H,17-18H2/t24-,29+/m1/s1
SMILES: C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@]34[C@@H]([C@](O2)(O[C@@H]1C4O)O)O)N)O)O)O
InChI: InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3?,4-,5-,6-,7+,9+,10-,11+/m1/s1
SMILES: C[C@]12CC=C3C4CC[C@@H](CC4=CC=C3[C@@H]1CC[C@@H]2O)O
InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,4,8,12-13,16-17,19-20H,3,5-7,9-10H2,1H3/t12-,13?,16-,17-,18-/m0/s1
SMILES: C[C@H]1CC[C@@H](C[C@@H]1OC(=O)C[N+]2=CC=CC(=C2)C(=O)NCCO)C(C)C
InChI: InChI=1S/C20H30N2O4/c1-14(2)16-7-6-15(3)18(11-16)26-19(24)13-22-9-4-5-17(12-22)20(25)21-8-10-23/h4-5,9,12,14-16,18,23H,6-8,10-11,13H2,1-3H3/p+1/t15-,16-,18-/m0/s1
SMILES: COC1=CC=CC=C1NC(=O)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C18H20N2O4/c1-24-13-5-3-2-4-12(13)19-14(21)9-20-17(22)15-10-6-7-11(8-10)16(15)18(20)23/h2-5,10-11,15-16H,6-9H2,1H3,(H,19,21)/t10-,11+,15-,16-/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCCO)[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)N
InChI: InChI=1S/C48H44N4O8/c1-30(32-15-5-2-6-16-32)50-47(58)51-38-24-23-31(14-11-12-25-53)28-37(38)48(46(51)57)39(44(49)55)41-45(56)60-42(34-19-9-4-10-20-34)40(33-17-7-3-8-18-33)52(41)43(48)35-21-13-22-36(29-35)59-27-26-54/h2-10,13,15-24,28-30,39-43,53-54H,12,25-27H2,1H3,(H2,49,55)(H,50,58)/t30-,39+,40+,41+,42-,43-,48+/m1/s1
SMILES: CC[C@]12C3=CC=CC=C3N([C@]1(NC(=O)C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C24H20N2O2/c1-2-23-19-15-9-10-16-20(19)26(18-13-7-4-8-14-18)24(23,25-22(28)21(23)27)17-11-5-3-6-12-17/h3-16H,2H2,1H3,(H,25,28)/t23-,24-/m1/s1
SMILES: CC(C)[C@H](C(=O)N1[C@@H]2C[C@@H]3CC[C@]2(C3(C)C)CS1(=O)=O)NOCC4=CC=CC=C4
InChI: InChI=1S/C22H32N2O4S/c1-15(2)19(23-28-13-16-8-6-5-7-9-16)20(25)24-18-12-17-10-11-22(18,21(17,3)4)14-29(24,26)27/h5-9,15,17-19,23H,10-14H2,1-4H3/t17-,18+,19+,22-/m0/s1
SMILES: CC[C@@H]1CC[C@@H]2C(=CC[C@H]1N2C(=O)OCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H37NO3Si/c1-7-19-13-14-21-22(28-29(5,6)24(2,3)4)16-15-20(19)25(21)23(26)27-17-18-11-9-8-10-12-18/h8-12,16,19-21H,7,13-15,17H2,1-6H3/t19-,20-,21-/m1/s1
SMILES: CCOC1=C(C=C(C=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)NC3=CC=CC=C3OC)OC
InChI: InChI=1S/C22H25N3O5/c1-5-30-17-11-10-14(12-18(17)29-4)20-19(13(2)23-22(27)25-20)21(26)24-15-8-6-7-9-16(15)28-3/h6-12,19-20H,2,5H2,1,3-4H3,(H,24,26)(H2,23,25,27)/t19-,20+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OCC=C
InChI: InChI=1S/C22H29NO4/c1-4-14-26-19-11-8-18(9-12-19)10-13-22(25)27-15-21(24)23-20-7-5-6-16(2)17(20)3/h4,8-13,16-17,20H,1,5-7,14-15H2,2-3H3,(H,23,24)/b13-10+/t16-,17-,20-/m1/s1