EdisonScientific/glyph-datasets huggingface dataset:
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)CC(CCC(=O)O)O)O
InChI: InChI=1S/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,35,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14?,15-,20-,21-,22+,26-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NCC3=CC=C(C=C3)F
InChI: InChI=1S/C22H29FN2O4/c1-14-4-3-5-19(15(14)2)25-12-17(10-21(25)27)22(28)29-13-20(26)24-11-16-6-8-18(23)9-7-16/h6-9,14-15,17,19H,3-5,10-13H2,1-2H3,(H,24,26)/t14-,15-,17-,19+/m1/s1
SMILES: CC1=CSC2=C1NC(=C2)C(=O)N[C@@H](CC3=CC=CC=C3)[C@H](C(=O)N4C[C@H]([C@H](C4)O)O)O
InChI: InChI=1S/C22H25N3O5S/c1-12-11-31-18-8-15(23-19(12)18)21(29)24-14(7-13-5-3-2-4-6-13)20(28)22(30)25-9-16(26)17(27)10-25/h2-6,8,11,14,16-17,20,23,26-28H,7,9-10H2,1H3,(H,24,29)/t14-,16-,17+,20+/m0/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)P(=O)(O)OC3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C15H24N2O16P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-35(28,29)34(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14?/m1/s1
SMILES: CC(=O)N1[C@H]2[C@](C3=CC=CC=C31)(N=C(S2)C4=CC=CC=C4)O
InChI: InChI=1S/C17H14N2O2S/c1-11(20)19-14-10-6-5-9-13(14)17(21)16(19)22-15(18-17)12-7-3-2-4-8-12/h2-10,16,21H,1H3/t16-,17-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H](OC(O2)(C)C)COS(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H26O8S2/c1-15-5-9-17(10-6-15)30(22,23)26-13-19-20(29-21(3,4)28-19)14-27-31(24,25)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3/t19-,20-/m1/s1
SMILES: CO[C@H]1[C@H]2[C@@H](CO[C@@H](O2)C3=CC=C(C=C3)OC)O[C@H]([C@@H]1OC)OC
InChI: InChI=1S/C17H24O7/c1-18-11-7-5-10(6-8-11)16-22-9-12-13(24-16)14(19-2)15(20-3)17(21-4)23-12/h5-8,12-17H,9H2,1-4H3/t12-,13-,14+,15-,16+,17-/m1/s1
SMILES: C[C@H]1CC/C=C(/CC(=O)[C@H]2[C@@H]([C@H]([C@@]3(CC[C@H]1O3)C)O)OC(=O)[C@@]2(C)O)\C
InChI: InChI=1S/C20H30O6/c1-11-6-5-7-12(2)14-8-9-19(3,26-14)17(22)16-15(13(21)10-11)20(4,24)18(23)25-16/h6,12,14-17,22,24H,5,7-10H2,1-4H3/b11-6+/t12-,14+,15-,16-,17+,19-,20-/m0/s1
SMILES: C[C@]12C(CC[C@@]3(C1(CC[C@H]4[C@]35[C@H](O5)[C@H]6[C@H](O4)C(O[C@H](O6)C7C(O7)(C)C)(C)C)C)O)CC8=C2NC9=C8C1=C(C=C9)C(=O)C2C(C1)C(OC2(C)C)(C)C
InChI: InChI=1S/C42H55NO8/c1-35(2)23-18-21-20(28(44)27(23)36(3,4)51-35)11-12-24-26(21)22-17-19-13-16-41(45)39(9,40(19,10)30(22)43-24)15-14-25-42(41)32(49-42)29-31(46-25)37(5,6)50-34(47-29)33-38(7,8)48-33/h11-12,19,23,25,27,29,31-34,43,45H,13-18H2,1-10H3/t19?,23?,25-,27?,29+,31-,32+,33?,34-,39?,40+,41-,42-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)NC(=O)C3=CC=CC=C3C(=O)O)O)O
InChI: InChI=1S/C23H32N2O13/c1-9(28)24-15-17(30)19(13(8-27)37-22(15)35-2)38-23-18(31)14(16(29)12(7-26)36-23)25-20(32)10-5-3-4-6-11(10)21(33)34/h3-6,12-19,22-23,26-27,29-31H,7-8H2,1-2H3,(H,24,28)(H,25,32)(H,33,34)/t12-,13-,14+,15-,16+,17-,18-,19-,22-,23+/m1/s1
SMILES: 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)O[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C62H66O11/c1-63-61-60(58(69-42-51-33-19-7-20-34-51)56(67-40-49-29-15-5-16-30-49)53(71-61)44-64-37-46-23-9-2-10-24-46)73-62-59(70-43-52-35-21-8-22-36-52)57(68-41-50-31-17-6-18-32-50)55(66-39-48-27-13-4-14-28-48)54(72-62)45-65-38-47-25-11-3-12-26-47/h2-36,53-62H,37-45H2,1H3/t53-,54-,55-,56-,57+,58+,59+,60-,61-,62+/m1/s1
SMILES: CC1=CC(=CC=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C18H17FN2O3S/c1-12-3-2-4-15(9-12)21-17-11-25(23,24)10-16(17)20(18(21)22)14-7-5-13(19)6-8-14/h2-9,16-17H,10-11H2,1H3/t16-,17-/m1/s1
SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3C(=O)[C@H]4C=C[C@]3([C@H]2O)C5=CC(=C(C(=C45)O)C(=O)C6=C(C=CC(=C6C(=O)OC)O)O)O
InChI: InChI=1S/C30H22O11/c1-10-7-12-19(16(33)8-10)27(38)23-24(35)11-5-6-30(23,28(12)39)13-9-17(34)22(25(36)18(11)13)26(37)20-14(31)3-4-15(32)21(20)29(40)41-2/h3-9,11,23,28,31-34,36,39H,1-2H3/t11-,23?,28-,30-/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)(C)C)O[C@@H]1OCCO)O
InChI: InChI=1S/C25H47NO7/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(28)26-21-22(29)23-19(18-31-25(2,3)33-23)32-24(21)30-17-16-27/h19,21-24,27,29H,4-18H2,1-3H3,(H,26,28)/t19-,21-,22-,23-,24+/m1/s1
SMILES: CC(=O)OC1=C(C=C(C=C1)C(=O)C(CO)OC2=C(C=C(C=C2)/C=C/C(=O)OC[C@H]3[C@@H]([C@H]([C@@H](O3)OC)O)O)OC)OC
InChI: InChI=1S/C28H32O13/c1-15(30)39-18-9-7-17(12-21(18)36-3)25(32)22(13-29)40-19-8-5-16(11-20(19)35-2)6-10-24(31)38-14-23-26(33)27(34)28(37-4)41-23/h5-12,22-23,26-29,33-34H,13-14H2,1-4H3/b10-6+/t22?,23-,26-,27+,28+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=CC3=C(C=C2)OCCO3
InChI: InChI=1S/C18H25NO3S/c1-12-4-3-5-15(13(12)2)19-18(20)11-23-14-6-7-16-17(10-14)22-9-8-21-16/h6-7,10,12-13,15H,3-5,8-9,11H2,1-2H3,(H,19,20)/t12-,13+,15+/m0/s1
SMILES: CCC1=CC=C(C=C1)NC(=O)[C@H]2[C@@H](NC(=S)NC2=C)C3=CC=CC=C3OCC4=CC=CC=C4
InChI: InChI=1S/C27H27N3O2S/c1-3-19-13-15-21(16-14-19)29-26(31)24-18(2)28-27(33)30-25(24)22-11-7-8-12-23(22)32-17-20-9-5-4-6-10-20/h4-16,24-25H,2-3,17H2,1H3,(H,29,31)(H2,28,30,33)/t24-,25+/m1/s1
SMILES: C[C@@]12CCC(=O)C([C@H]1CC[C@]34[C@H]2C[C@H]([C@H](C3=O)O)C(=C)C4)(C)C
InChI: InChI=1S/C20H28O3/c1-11-10-20-8-5-13-18(2,3)15(21)6-7-19(13,4)14(20)9-12(11)16(22)17(20)23/h12-14,16,22H,1,5-10H2,2-4H3/t12-,13+,14-,16+,19+,20-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC4=NC=CC(=N4)C5=CC=CO5
InChI: InChI=1S/C23H22N4O6/c1-13(28)14-4-6-15(7-5-14)25-23(29)33-19-12-32-20-17(11-31-21(19)20)27-22-24-9-8-16(26-22)18-3-2-10-30-18/h2-10,17,19-21H,11-12H2,1H3,(H,25,29)(H,24,26,27)/t17-,19+,20+,21+/m0/s1
SMILES: CC1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NC(C)C(=O)OC)OC3=CC=C(C=C3)F)N=[N+]=[N-]
InChI: InChI=1S/C20H26FN6O8P/c1-11-9-27(20(30)23-18(11)28)17-8-15(24-26-22)16(34-17)10-33-36(31,25-12(2)19(29)32-3)35-14-6-4-13(21)5-7-14/h4-7,11-12,15-17H,8-10H2,1-3H3,(H,25,31)(H,23,28,30)/t11?,12?,15-,16+,17+,36?/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1CN3C4=CC=CC5=C(C=CC(=C54)S3(=O)=O)CC[N+]67CC[N+](CC6)(CC7)CC(=O)N)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C31H37N5O7S/c1-18-22(29(31(40)41)34-28(18)26(19(2)37)30(34)39)16-33-23-5-3-4-21-20(6-7-24(27(21)23)44(33,42)43)8-9-35-10-13-36(14-11-35,15-12-35)17-25(32)38/h3-7,18-19,26,28,37H,8-17H2,1-2H3,(H-2,32,38,40,41)/p+2/t18-,19+,26+,28+,35?,36?/m0/s1
SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1OCC7=CC=C(C=C7)C8=CC=CC=C8)OC5=C(C=C4)O)O
InChI: InChI=1S/C33H35NO4/c35-26-13-12-25-18-28-33(36)15-14-27(37-20-22-8-10-24(11-9-22)23-4-2-1-3-5-23)31-32(33,29(25)30(26)38-31)16-17-34(28)19-21-6-7-21/h1-5,8-13,21,27-28,31,35-36H,6-7,14-20H2/t27-,28-,31+,32+,33-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H]3[C@H](C(=O)N(C3=O)C4=CC=CC=C4)SC5=C2SC(=O)N5
InChI: InChI=1S/C21H16N2O4S2/c1-27-13-9-7-11(8-10-13)14-15-17(28-18-16(14)29-21(26)22-18)20(25)23(19(15)24)12-5-3-2-4-6-12/h2-10,14-15,17H,1H3,(H,22,26)/t14-,15-,17+/m0/s1
SMILES: C[C@@]1(CC[C@]2([C@@H](O2)CC[C@]([C@@H]3[C@@H]1C3)(C)O)C)C/C=C/C(C)(C)C(=O)O
InChI: InChI=1S/C21H34O4/c1-18(2,17(22)23)8-6-9-19(3)11-12-21(5)16(25-21)7-10-20(4,24)15-13-14(15)19/h6,8,14-16,24H,7,9-13H2,1-5H3,(H,22,23)/b8-6+/t14-,15-,16-,19-,20-,21-/m0/s1
SMILES: CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2(CC2)C)NC(=O)[C@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)O)OC4=CC(=NC5=C4C=CC=C5SC)OCC
InChI: InChI=1S/C33H46N4O8S2/c1-8-19-17-33(19,30(41)36-47(42,43)32(6)13-14-32)35-28(39)22-15-20(18-37(22)29(40)27(38)31(3,4)5)45-23-16-25(44-9-2)34-26-21(23)11-10-12-24(26)46-7/h10-12,16,19-20,22,27,38H,8-9,13-15,17-18H2,1-7H3,(H,35,39)(H,36,41)/t19-,20-,22-,27-,33-/m1/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@@H](S1)SC2=CC=C(C=C2)[N+](=O)[O-])N=[N+]=[N-])O)O
InChI: InChI=1S/C11H12N4O4S2/c12-14-13-9-10(17)8(16)5-20-11(9)21-7-3-1-6(2-4-7)15(18)19/h1-4,8-11,16-17H,5H2/t8-,9+,10-,11+/m1/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@@H](COC)O)[C@H](CC2SCCCS2)OC)C
InChI: InChI=1S/C15H28O5S2/c1-15(2)19-13(10(16)9-17-3)14(20-15)11(18-4)8-12-21-6-5-7-22-12/h10-14,16H,5-9H2,1-4H3/t10-,11+,13-,14-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H]2[C@]1([C@@H](CC[C@H]2OC(=O)C)CC(=O)OC)O)C(=C)C
InChI: InChI=1S/C19H30O5/c1-11(2)15-8-6-12(3)19(22)14(10-17(21)23-5)7-9-16(18(15)19)24-13(4)20/h12,14-16,18,22H,1,6-10H2,2-5H3/t12-,14+,15+,16-,18+,19+/m1/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)C#N)O
InChI: InChI=1S/C10H12N4O4/c11-3-5-6(4-15)18-9(8(5)16)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6-,8-,9-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H]([C@@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CN=CC=C3
InChI: InChI=1S/C17H14F3N3O3/c18-17(19,20)16(26)12(14(24)11-7-4-8-21-9-11)13(22-15(25)23-16)10-5-2-1-3-6-10/h1-9,12-13,26H,(H2,22,23,25)/t12-,13-,16+/m1/s1
SMILES: CC(C)C[C@H]1[C@@H](OC(=O)N1CCCN2CCCCC2)C3=CC=CC=C3
InChI: InChI=1S/C21H32N2O2/c1-17(2)16-19-20(18-10-5-3-6-11-18)25-21(24)23(19)15-9-14-22-12-7-4-8-13-22/h3,5-6,10-11,17,19-20H,4,7-9,12-16H2,1-2H3/t19-,20-/m0/s1
SMILES: C[C@@H]1C[C@H]2C[C@@H]2/C=C\C=C\C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1
InChI: InChI=1S/C19H19ClO5/c1-10-6-12-7-11(12)4-2-3-5-13(21)8-14-17(19(24)25-10)15(22)9-16(23)18(14)20/h2-5,9-12,22-23H,6-8H2,1H3/b4-2-,5-3+/t10-,11+,12+/m1/s1
SMILES: C[C@]12CCCC[C@H]1CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@]4(C[NH+]5CC5)O)C
InChI: InChI=1S/C22H37NO/c1-20-10-4-3-5-16(20)6-7-17-18(20)8-11-21(2)19(17)9-12-22(21,24)15-23-13-14-23/h16-19,24H,3-15H2,1-2H3/p+1/t16-,17-,18-,19+,20-,21-,22+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)COC5=CC=CC=C5
InChI: InChI=1S/C35H36O8/c36-31(25-39-29-19-11-4-12-20-29)43-32-30(24-38-21-26-13-5-1-6-14-26)42-35(37)34(41-23-28-17-9-3-10-18-28)33(32)40-22-27-15-7-2-8-16-27/h1-20,30,32-35,37H,21-25H2/t30-,32-,33+,34-,35?/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)OC(=O)C)OC(=O)C)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H38O18/c1-11(28)36-9-18-20(38-13(3)30)22(39-14(4)31)25(42-17(7)34)27(44-18)45-21-19(10-37-12(2)29)43-26(35-8)24(41-16(6)33)23(21)40-15(5)32/h18-27H,9-10H2,1-8H3/t18-,19-,20-,21-,22+,23+,24-,25+,26+,27+/m1/s1
SMILES: C[C@]12CC[C@H](C1(C)C)[C@H](C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H31NO/c1-27(2)24-19-20-28(27,3)26(31)25(24)30-29(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-25,30H,19-20H2,1-3H3/t24-,25+,28+/m0/s1
SMILES: CCN1C[C@H]2C[C@H]([C@H]([C@@]23[C@@H]1CCC3)C4=CC=CC=C4)O
InChI: InChI=1S/C18H25NO/c1-2-19-12-14-11-15(20)17(13-7-4-3-5-8-13)18(14)10-6-9-16(18)19/h3-5,7-8,14-17,20H,2,6,9-12H2,1H3/t14-,15-,16+,17-,18-/m1/s1
SMILES: C[C@@]12CC=C3[C@@H]([C@@H]1CCC2=O)CC[C@@]45[C@@]3(O4)CCC6(C5)OCCO6
InChI: InChI=1S/C20H26O4/c1-17-6-5-15-13(14(17)2-3-16(17)21)4-7-18-12-19(22-10-11-23-19)8-9-20(15,18)24-18/h5,13-14H,2-4,6-12H2,1H3/t13-,14+,17-,18-,20-/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)/C=C/1\C[C@@]2(CCCC[C@]23[C@H]1[C@H](CCC3)C(=O)OCC)O
InChI: InChI=1S/C17H25O3.3C4H9.Sn/c1-3-20-15(18)13-7-6-9-16-8-4-5-10-17(16,19)11-12(2)14(13)16;3*1-3-4-2;/h2,13-14,19H,3-11H2,1H3;3*1,3-4H2,2H3;/t13-,14+,16-,17+;;;;/m0..../s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\CO)C)O)OC
InChI: InChI=1S/C32H48N4O9/c1-18-13-22-27(34-11-12-36(4)5)24(38)16-23(29(22)40)35-31(41)19(2)9-8-10-25(43-6)30(45-32(33)42)21(17-37)15-20(3)28(39)26(14-18)44-7/h8-10,15-16,18,20,25-26,28,30,34,37,39H,11-14,17H2,1-7H3,(H2,33,42)(H,35,41)/b10-8-,19-9+,21-15+/t18-,20+,25+,26+,28-,30+/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=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC[C@@H](C9=CC=CC=C9)O
InChI: InChI=1S/C56H52N6O9/c1-35(37-18-6-2-7-19-37)60-55(69)61-43-29-28-36(17-16-30-58-54(57)68)33-42(43)56(53(61)67)46(51(65)59-34-44(64)38-20-8-3-9-21-38)48-52(66)71-49(40-24-12-5-13-25-40)47(39-22-10-4-11-23-39)62(48)50(56)41-26-14-15-27-45(41)70-32-31-63/h2-15,18-29,33,35,44,46-50,63-64H,30-32,34H2,1H3,(H,59,65)(H,60,69)(H3,57,58,68)/t35-,44+,46-,47-,48-,49+,50+,56-/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@H](C)N2C(=O)[C@@H]3CC=C(C[C@@H]3C2=O)Cl
InChI: InChI=1S/C20H21ClN2O5/c1-3-28-20(27)12-4-7-14(8-5-12)22-17(24)11(2)23-18(25)15-9-6-13(21)10-16(15)19(23)26/h4-8,11,15-16H,3,9-10H2,1-2H3,(H,22,24)/t11-,15-,16+/m1/s1
SMILES: CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CF)O)O)O)OC3CCC(CC3)OC
InChI: InChI=1S/C20H29FO6/c1-11-3-4-12(20-19(24)18(23)17(22)16(10-21)27-20)9-15(11)26-14-7-5-13(25-2)6-8-14/h3-4,9,13-14,16-20,22-24H,5-8,10H2,1-2H3/t13?,14?,16-,17-,18+,19-,20+/m1/s1
SMILES: B1(OC2C[C@H]3C[C@@H]([C@@]2(O1)C)C3(C)C)[C@H](CC=C)NC(=O)[C@H](CC4CCCCC4)N5CCCC(C5=O)(C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C6=NC=CN=C6
InChI: InChI=1S/C41H63BN6O6/c1-9-14-33(42-53-32-23-28-22-31(39(28,6)7)40(32,8)54-42)45-36(50)30(21-27-15-11-10-12-16-27)48-20-13-17-41(26(4)5,38(48)52)47-37(51)34(25(2)3)46-35(49)29-24-43-18-19-44-29/h9,18-19,24-28,30-34H,1,10-17,20-23H2,2-8H3,(H,45,50)(H,46,49)(H,47,51)/t28-,30+,31-,32?,33+,34+,40+,41?/m1/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)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NC=CC=N6
InChI: InChI=1S/C35H34N4O7S/c1-22-29(21-47-34-36-16-5-17-37-34)45-33(46-31(22)25-10-8-23(19-40)9-11-25)26-12-14-27(15-13-26)39-30(41)18-28(32(39)42)38-35(43)44-20-24-6-3-2-4-7-24/h2-17,22,28-29,31,33,40H,18-21H2,1H3,(H,38,43)/t22-,28?,29+,31+,33+/m1/s1
SMILES: CC1=C[C@H]2[C@@H]3[C@H]([C@@H]1P2(=O)OC(C)COC)C(=O)N(C3=O)C4=CC=CC=C4
InChI: InChI=1S/C19H22NO5P/c1-11-9-14-15-16(17(11)26(14,23)25-12(2)10-24-3)19(22)20(18(15)21)13-7-5-4-6-8-13/h4-9,12,14-17H,10H2,1-3H3/t12?,14-,15+,16+,17+,26?/m0/s1
SMILES: C1[C@H]([C@@H](C2=CC=CC=C21)NC(=S)NC(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C17H16N2O2S/c20-14-10-12-8-4-5-9-13(12)15(14)18-17(22)19-16(21)11-6-2-1-3-7-11/h1-9,14-15,20H,10H2,(H2,18,19,21,22)/t14-,15-/m1/s1
SMILES: C=CCCC(=O)N(C[C@H]1CCCO1)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C25H33IN2O6/c1-2-3-10-23(30)28(16-18-7-6-13-33-18)20-14-17(25(32)27-11-12-29)15-22(24(20)31)34-21-9-5-4-8-19(21)26/h2,4-5,8-9,15,18,20,22,24,29,31H,1,3,6-7,10-14,16H2,(H,27,32)/t18-,20-,22+,24+/m1/s1
SMILES: C[C@]12[C@H](CCC[C@H]1N3C(=O)NC(=O)N3)[C@H]4CC[C@@H]2N5N4C(=O)N(C5=O)C
InChI: InChI=1S/C16H22N6O4/c1-16-8(4-3-5-10(16)20-13(24)17-12(23)18-20)9-6-7-11(16)22-15(26)19(2)14(25)21(9)22/h8-11H,3-7H2,1-2H3,(H2,17,18,23,24)/t8-,9-,10-,11+,16+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@H]2[C@H]([C@H]([C@@H]([C@H](N2C(=O)OCC3=CC=CC=C3)CO)OCC4=CC=CC=C4)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)O
InChI: InChI=1S/C63H67NO12/c65-36-53-57(70-39-48-26-12-3-13-27-48)59(56(66)54(44-68-37-46-22-8-1-9-23-46)64(53)63(67)74-43-52-34-20-7-21-35-52)76-62-61(73-42-51-32-18-6-19-33-51)60(72-41-50-30-16-5-17-31-50)58(71-40-49-28-14-4-15-29-49)55(75-62)45-69-38-47-24-10-2-11-25-47/h1-35,53-62,65-66H,36-45H2/t53-,54+,55-,56-,57-,58-,59-,60+,61-,62-/m1/s1
SMILES: CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)CC=O)C(=O)O
InChI: InChI=1S/C16H25NO5/c1-4-13(5-2)22-14-9-12(16(20)21)8-11(6-7-18)15(14)17-10(3)19/h7,9,11,13-15H,4-6,8H2,1-3H3,(H,17,19)(H,20,21)/t11-,14+,15+/m0/s1
SMILES: CC(=O)[C@@H]1[C@H](C2([C@H]3N1C4=C(C=C3)C=C(C=C4)F)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C28H19BrFNO3/c1-15(32)25-24(16-6-9-18(29)10-7-16)28(26(33)20-4-2-3-5-21(20)27(28)34)23-13-8-17-14-19(30)11-12-22(17)31(23)25/h2-14,23-25H,1H3/t23-,24+,25+/m0/s1
SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)CC6=C([C@H]5C7=C(C=CC(=C7)OC(F)(F)F)O)C(=O)C=C(C6=O)Br
InChI: InChI=1S/C33H26BrF3N2O7/c34-24-15-26(41)29-23(30(24)42)14-21-19(27(29)22-13-18(5-8-25(22)40)46-33(35,36)37)6-7-20-28(21)32(44)39(31(20)43)17-3-1-16(2-4-17)38-9-11-45-12-10-38/h1-6,8,13,15,20-21,27-28,40H,7,9-12,14H2/t20-,21+,27+,28-/m0/s1
SMILES: C[C@H]1CC2=C([C@@H](NC3=CC=CC=C3N2)C4=CNC5=CC=CC=C54)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C24H23N3O3/c1-13-11-19-21(23(28)20(13)24(29)30-2)22(27-18-10-6-5-9-17(18)26-19)15-12-25-16-8-4-3-7-14(15)16/h3-10,12-13,20,22,25-27H,11H2,1-2H3/t13-,20-,22-/m0/s1
SMILES: CN(C(=O)C1=NN2[C@H]([C@H]1C3=CC=CC=C3)COC4=C2C=C(C=C4)F)OC
InChI: InChI=1S/C19H18FN3O3/c1-22(25-2)19(24)18-17(12-6-4-3-5-7-12)15-11-26-16-9-8-13(20)10-14(16)23(15)21-18/h3-10,15,17H,11H2,1-2H3/t15-,17+/m0/s1
SMILES: CCNC(=O)CNC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O
InChI: InChI=1S/C16H23N3O6/c1-2-17-12(20)7-18-13(21)9-25-14(22)8-19-15(23)10-5-3-4-6-11(10)16(19)24/h10-11H,2-9H2,1H3,(H,17,20)(H,18,21)/t10-,11-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](O1)C(=O)N(CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NCCCC2=CC=CC=C2
InChI: InChI=1S/C25H36N4O8/c1-5-36-25(35)21-20(37-21)24(34)29(14-18(30)31)28-22(32)16(4)27-23(33)19(15(2)3)26-13-9-12-17-10-7-6-8-11-17/h6-8,10-11,15-16,19-21,26H,5,9,12-14H2,1-4H3,(H,27,33)(H,28,32)(H,30,31)/t16-,19-,20-,21-/m0/s1
SMILES: COC1=C(C=CC(=C1)O)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)CC6=CC=CS6)C(=O)N(C3=O)CC7=CC=CS7
InChI: InChI=1S/C31H28N2O6S2/c1-39-24-12-16(34)6-7-20(24)25-19-8-9-21-26(30(37)32(28(21)35)14-17-4-2-10-40-17)22(19)13-23-27(25)31(38)33(29(23)36)15-18-5-3-11-41-18/h2-8,10-12,21-23,25-27,34H,9,13-15H2,1H3/t21-,22+,23+,25+,26-,27+/m0/s1
SMILES: CC(C)([C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC)O
InChI: InChI=1S/C23H24O8/c1-22(2,25)18-7-12-14(30-18)6-5-11-20(12)31-19-10-29-15-9-17(28-4)16(27-3)8-13(15)23(19,26)21(11)24/h5-6,8-9,18-19,25-26H,7,10H2,1-4H3/t18-,19-,23-/m1/s1
SMILES: CO/N=C/C[C@]1([C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)CO)O
InChI: InChI=1S/C12H17N3O7/c1-21-13-4-3-12(20)7(6-16)22-10(9(12)18)15-5-2-8(17)14-11(15)19/h2,4-5,7,9-10,16,18,20H,3,6H2,1H3,(H,14,17,19)/b13-4+/t7-,9+,10-,12-/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C/C(=C/C5=CC=CC=C5)/C4=O)C)C
InChI: InChI=1S/C28H34O3/c1-18(29)31-22-11-13-27(2)21(17-22)9-10-23-24(27)12-14-28(3)25(23)16-20(26(28)30)15-19-7-5-4-6-8-19/h4-9,15,22-25H,10-14,16-17H2,1-3H3/b20-15-/t22-,23-,24-,25+,27-,28+/m1/s1
SMILES: C/C=C/[C@@H]1[C@H]([C@@H]([C@@H]2[C@@H](O1)[C@@H](OC2=O)C)O)I
InChI: InChI=1S/C11H15IO4/c1-3-4-6-8(12)9(13)7-10(16-6)5(2)15-11(7)14/h3-10,13H,1-2H3/b4-3+/t5-,6+,7+,8+,9+,10-/m0/s1
SMILES: C1[C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C(=O)N1CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C23H21NO4/c25-21-20-19(22(26)27-14-17-9-5-2-6-10-17)18-11-12-23(20,28-18)15-24(21)13-16-7-3-1-4-8-16/h1-12,18-20H,13-15H2/t18-,19+,20+,23-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CN=C(C=C2)Cl
InChI: InChI=1S/C16H20ClN3O4/c1-10-4-2-3-5-12(10)19-16(23)20-14(21)9-24-15(22)11-6-7-13(17)18-8-11/h6-8,10,12H,2-5,9H2,1H3,(H2,19,20,21,23)/t10-,12+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC=C6)C(=O)CC7=CC(=C(C=C7)OC)OC)O)C(=C5)C(=O)C8=CC(=CC=C8)C(F)(F)F)O)C
InChI: InChI=1S/C47H52F3NO6/c1-42-18-15-34(52)26-44(42)21-22-46(35(27-44)41(54)32-11-8-12-33(25-32)47(48,49)50)38(42)16-19-43(2)39(46)17-20-45(43,55)29-51(28-30-9-6-5-7-10-30)40(53)24-31-13-14-36(56-3)37(23-31)57-4/h5-14,21-23,25,27,34,38-39,52,55H,15-20,24,26,28-29H2,1-4H3/t34?,38-,39-,42-,43+,44+,45-,46-/m1/s1
SMILES: CCOC1=NC2=C(C=CC=C2SC)C(=C1)O[C@@H]3C[C@@H](N(C3)C(=O)[C@@H](CC(=O)NC4=CC=CC=C4)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6CC6
InChI: InChI=1S/C40H49N5O8S2/c1-7-24-22-40(24,38(49)44-55(50,51)27-17-18-27)43-36(47)30-19-26(53-31-21-34(52-8-2)42-35-28(31)15-12-16-32(35)54-6)23-45(30)37(48)29(39(3,4)5)20-33(46)41-25-13-10-9-11-14-25/h7,9-16,21,24,26-27,29-30H,1,8,17-20,22-23H2,2-6H3,(H,41,46)(H,43,47)(H,44,49)/t24-,26-,29-,30-,40-/m1/s1
SMILES: CCCN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)O)O)CCCCO)CCCCO)C(=O)NCCOCCO
InChI: InChI=1S/C33H51N3O9/c1-3-13-36(32(41)34-12-17-44-18-16-39)29-21-27(35-43-2)25-19-22(8-4-6-14-37)24(9-5-7-15-38)30-26-20-23(40)10-11-28(26)45-33(29,42)31(25)30/h10-11,19-20,22,24,29-31,37-40,42H,3-9,12-18,21H2,1-2H3,(H,34,41)/t22-,24+,29-,30+,31+,33+/m0/s1
SMILES: CCCOCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=C(C(=C2)Cl)O)OC
InChI: InChI=1S/C18H23ClN2O6/c1-4-5-26-6-7-27-17(23)14-10(2)20-18(24)21-15(14)11-8-12(19)16(22)13(9-11)25-3/h8-9,14-15,22H,2,4-7H2,1,3H3,(H2,20,21,24)/t14-,15+/m1/s1
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H]2CC(=CC[C@H]2C(=O)[O-])Cl
InChI: InChI=1S/C15H15ClN2O6/c1-24-13-7-9(18(22)23)3-5-12(13)17-14(19)11-6-8(16)2-4-10(11)15(20)21/h2-3,5,7,10-11H,4,6H2,1H3,(H,17,19)(H,20,21)/p-1/t10-,11+/m1/s1
SMILES: CC1(CC(=O)[C@H]2[C@@H](N3C(=NC(=N3)SCC4=CC=CC=C4)NC2=C1)C5=CC=CO5)C
InChI: InChI=1S/C22H22N4O2S/c1-22(2)11-15-18(16(27)12-22)19(17-9-6-10-28-17)26-20(23-15)24-21(25-26)29-13-14-7-4-3-5-8-14/h3-11,18-19H,12-13H2,1-2H3,(H,23,24,25)/t18-,19-/m0/s1
SMILES: CC[C@@](CO)([C@@H]1C[C@H]2[C@]3(C[C@@H]([C@H]1CO2)NC(=O)OCC(Cl)(Cl)Cl)C4=CC=CC=C4N(C3=O)OC)O
InChI: InChI=1S/C23H29Cl3N2O7/c1-3-21(32,11-29)15-8-18-22(14-6-4-5-7-17(14)28(33-2)19(22)30)9-16(13(15)10-34-18)27-20(31)35-12-23(24,25)26/h4-7,13,15-16,18,29,32H,3,8-12H2,1-2H3,(H,27,31)/t13-,15+,16-,18-,21+,22-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI: InChI=1S/C24H28N2O4/c1-17-7-5-6-10-21(17)26-22(27)16-30-23(28)15-25-24(29)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-4,8-9,11-14,17,21H,5-7,10,15-16H2,1H3,(H,25,29)(H,26,27)/t17-,21+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C14H18O7/c1-7(16)8-2-4-9(5-3-8)20-14-13(19)12(18)11(17)10(6-15)21-14/h2-5,10-15,17-19H,6H2,1H3/t10-,11-,12+,13-,14-/m0/s1
SMILES: CCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@@H]([C@@H]4Br)Br
InChI: InChI=1S/C21H23Br2NO4/c1-2-3-4-5-15(25)28-12-8-6-11(7-9-12)24-20(26)16-13-10-14(17(16)21(24)27)19(23)18(13)22/h6-9,13-14,16-19H,2-5,10H2,1H3/t13-,14+,16-,17+,18-,19+
SMILES: C1=CC(=C(C=C1CSC2=NC3=CC(=C(C=C3N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl)Cl)Cl)Cl
InChI: InChI=1S/C19H16Cl4N2O4S/c20-9-2-1-8(3-10(9)21)7-30-19-24-13-4-11(22)12(23)5-14(13)25(19)18-17(28)16(27)15(6-26)29-18/h1-5,15-18,26-28H,6-7H2/t15-,16-,17-,18-/m1/s1
SMILES: C1=CC=C2C(=C1)C3=C4C2=CC5=C6C4=C(C=C3)[C@H]([C@@H](C6=CC=C5)O)O
InChI: InChI=1S/C22H14O2/c23-21-15-7-3-4-11-10-17-13-6-2-1-5-12(13)14-8-9-16(22(21)24)20(18(11)15)19(14)17/h1-10,21-24H/t21-,22-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)NC(=O)[C@H](CC4=CC=CC=C4)N)C
InChI: InChI=1S/C40H62N4O11/c1-12-29-40(8)33(44(38(50)55-40)42-35(48)27(41)19-26-16-14-13-15-17-26)23(4)30(45)21(2)20-39(7,51-11)34(24(5)31(46)25(6)36(49)53-29)54-37-32(47)28(43(9)10)18-22(3)52-37/h13-17,21-25,27-29,32-34,37,47H,12,18-20,41H2,1-11H3,(H,42,48)/t21-,22-,23+,24+,25-,27+,28+,29-,32-,33-,34-,37+,39-,40-/m1/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=C5C=CCC6=CC=CC=C6O)C(=O)NCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C48H67N3O11/c1-6-8-14-26-47(27-15-9-7-2)60-40-37-29-48(45(57)49-28-25-38(54)50-35(31-52)23-24-39(55)59-46(3,4)5)42(44(56)58-37)51(62-43(48)41(40)61-47)30-34-19-11-10-17-32(34)20-16-21-33-18-12-13-22-36(33)53/h10-13,16-20,22,35,37,40-43,52-53H,6-9,14-15,21,23-31H2,1-5H3,(H,49,57)(H,50,54)/t35-,37+,40-,41-,42-,43+,48-/m0/s1
SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1OCC7=CC(=CC=C7)[N+](=O)[O-])OC5=C(C=C4)OC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)O
InChI: InChI=1S/C46H44N2O6/c49-45-24-23-39(52-30-32-11-10-18-37(27-32)48(50)51)43-44(45)25-26-47(29-31-19-20-31)40(45)28-33-21-22-38(42(53-43)41(33)44)54-46(34-12-4-1-5-13-34,35-14-6-2-7-15-35)36-16-8-3-9-17-36/h1-18,21-22,27,31,39-40,43,49H,19-20,23-26,28-30H2/t39-,40-,43+,44+,45-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)NC3=NC(=CS3)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C23H19N3O3S/c27-20(12-26-21(28)17-7-3-4-8-18(17)22(26)29)25-23-24-19(13-30-23)16-10-9-14-5-1-2-6-15(14)11-16/h1-6,9-11,13,17-18H,7-8,12H2,(H,24,25,27)/t17-,18+
SMILES: CCN1C2=CC=CC=C2N(C1=O)[C@@H]3CCN(C[C@@H]3C(=O)N[C@H]4CCNC4)CC5CCCCCCC5
InChI: InChI=1S/C28H43N5O2/c1-2-32-25-12-8-9-13-26(25)33(28(32)35)24-15-17-31(19-21-10-6-4-3-5-7-11-21)20-23(24)27(34)30-22-14-16-29-18-22/h8-9,12-13,21-24,29H,2-7,10-11,14-20H2,1H3,(H,30,34)/t22-,23-,24+/m0/s1
SMILES: C[C@@]1(CC(=O)[C@@]2(C3=C(CC[C@@]2(C1)O)C(=O)C4=CC=CC=C4C3=O)O)O
InChI: InChI=1S/C19H18O6/c1-17(23)8-13(20)19(25)14-12(6-7-18(19,24)9-17)15(21)10-4-2-3-5-11(10)16(14)22/h2-5,23-25H,6-9H2,1H3/t17-,18-,19-/m0/s1