EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)I)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C41H31ClFIN2O7/c1-41-28(38(50)46(40(41)52)24-12-15-30(43)29(42)18-24)19-27-25(34(41)22-16-31(44)36(48)32(17-22)53-2)13-14-26-33(27)39(51)45(37(26)49)23-10-8-21(9-11-23)35(47)20-6-4-3-5-7-20/h3-13,15-18,26-28,33-34,48H,14,19H2,1-2H3/t26-,27+,28-,33-,34-,41+/m0/s1
SMILES: CC[C@@H](CC=C)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O
InChI: InChI=1S/C15H24N2O4/c1-4-6-11(5-2)21-13-8-10(15(19)20)7-12(16)14(13)17-9(3)18/h4,8,11-14H,1,5-7,16H2,2-3H3,(H,17,18)(H,19,20)/t11-,12-,13+,14+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C
InChI: InChI=1S/C20H27N3O2/c1-13(2)12-23-20(25)16-10-6-5-9-15(16)18(22-23)19(24)21-17-11-7-4-8-14(17)3/h5-6,9-10,13-14,17H,4,7-8,11-12H2,1-3H3,(H,21,24)/t14-,17-/m0/s1
SMILES: C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@H](C[C@H](O4)CO)N=[N+]=[N-]
InChI: InChI=1S/C15H20N8O2/c16-22-21-11-5-10(6-24)25-15(11)23-8-19-12-13(17-7-18-14(12)23)20-9-3-1-2-4-9/h7-11,15,24H,1-6H2,(H,17,18,20)/t10-,11-,15+/m0/s1
SMILES: CCCN(C)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C
InChI: InChI=1S/C14H23N5O5/c1-4-5-19(3)12(21)11-10(17-7(2)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11H,4-5H2,1-3H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8-,10+,11+/m0/s1
SMILES: C1CC(=O)[C@@H]([C@H]([C@@H]1O)/C=C/C(CC2=CC=CC=C2)O)C/C=C\CCCC(=O)O
InChI: InChI=1S/C23H30O5/c24-18(16-17-8-4-3-5-9-17)12-13-20-19(21(25)14-15-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,12-13,18-20,22,24,26H,2,7,10-11,14-16H2,(H,27,28)/b6-1-,13-12+/t18?,19-,20-,22-/m1/s1
SMILES: COC1=CC(=CC(=C1)NC(=S)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C#C)OC
InChI: InChI=1S/C19H25N3O2S/c1-4-13-12-22-6-5-14(13)7-16(22)11-20-19(25)21-15-8-17(23-2)10-18(9-15)24-3/h1,8-10,13-14,16H,5-7,11-12H2,2-3H3,(H2,20,21,25)/p+1/t13-,14-,16+/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C
InChI: InChI=1S/C24H36O5/c1-13(4-7-22(28)29)15-5-6-16-14-10-19(25)18-11-20(26)21(27)12-24(18,3)17(14)8-9-23(15,16)2/h10,13,15-18,20-21,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,15-,16+,17+,18-,20-,21+,23-,24-/m1/s1
SMILES: C1=CC(=CC=C1/C=N/NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl
InChI: InChI=1S/C17H18ClN7O4/c18-9-3-1-8(2-4-9)5-21-24-17-22-14(19)11-15(23-17)25(7-20-11)16-13(28)12(27)10(6-26)29-16/h1-5,7,10,12-13,16,26-28H,6H2,(H3,19,22,23,24)/b21-5+/t10-,12-,13-,16-/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@H]2[C@@H](O1)COC(O2)C3=CC=CC=C3)O)OCC4=CC=CC=C4
InChI: InChI=1S/C21H24O6/c1-23-21-19(24-12-14-8-4-2-5-9-14)17(22)18-16(26-21)13-25-20(27-18)15-10-6-3-7-11-15/h2-11,16-22H,12-13H2,1H3/t16-,17-,18+,19+,20?,21+/m0/s1
SMILES: COC1=CC2=C(C=C1)N([C@H]3[C@@H]2C[C@@](N3C(=O)OC)(C=O)C(=O)OC)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H22N2O8S/c1-30-14-9-10-18-16(11-14)17-12-22(13-25,20(26)31-2)23(21(27)32-3)19(17)24(18)33(28,29)15-7-5-4-6-8-15/h4-11,13,17,19H,12H2,1-3H3/t17-,19+,22-/m1/s1
SMILES: CCOC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C4=CC=C(C=C4)N)N)O)O
InChI: InChI=1S/C18H22N6O4/c1-2-27-7-11-13(25)14(26)18(28-11)24-8-21-12-15(20)22-16(23-17(12)24)9-3-5-10(19)6-4-9/h3-6,8,11,13-14,18,25-26H,2,7,19H2,1H3,(H2,20,22,23)/t11-,13-,14-,18-/m1/s1
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@H]([C@H](O4)C(C)C)C)O
InChI: InChI=1S/C24H30O5/c1-7-8-14-11-16(25)27-23-17(14)22-15(9-10-24(5,6)29-22)21-18(23)19(26)13(4)20(28-21)12(2)3/h9-13,19-20,26H,7-8H2,1-6H3/t13-,19+,20-/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H22N2O3/c1-12(2)13-7-9-14(10-8-13)20-17(22)11-21-18(23)15-5-3-4-6-16(15)19(21)24/h3-4,7-10,12,15-16H,5-6,11H2,1-2H3,(H,20,22)/t15-,16+
SMILES: CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)O)O)CC)OC)C(=O)OC)O
InChI: InChI=1S/C54H64N6O9/c1-6-50(66)26-31-27-53(49(65)69-5,43-35(17-21-59(29-31)30-50)34-14-9-11-16-39(34)56-43)37-24-36-41(25-42(37)68-4)58(3)46-52(36)19-22-60-20-12-18-51(7-2,45(52)60)47(63)54(46,67)48(64)57-40(44(61)62)23-32-28-55-38-15-10-8-13-33(32)38/h8-16,18,24-25,28,31,40,45-47,55-56,63,66-67H,6-7,17,19-23,26-27,29-30H2,1-5H3,(H,57,64)(H,61,62)/t31-,40-,45-,46+,47+,50-,51+,52+,53-,54-/m0/s1
SMILES: CC1=C(C2=C(N1)C(=O)C=C3[C@@]24C[C@@H]4CN3C(=O)/C=C/C5=CC=C(C=C5)OC)C(=O)OC
InChI: InChI=1S/C24H22N2O5/c1-13-20(23(29)31-3)21-22(25-13)17(27)10-18-24(21)11-15(24)12-26(18)19(28)9-6-14-4-7-16(30-2)8-5-14/h4-10,15,25H,11-12H2,1-3H3/b9-6+/t15-,24+/m1/s1
SMILES: C1[C@@H]([C@H](C(=O)N1)C(=O)N/N=C/C2=C(C(=CC(=C2)Cl)[N+](=O)[O-])[O-])C3=CC=CC=C3
InChI: InChI=1S/C18H15ClN4O5/c19-12-6-11(16(24)14(7-12)23(27)28)8-21-22-18(26)15-13(9-20-17(15)25)10-4-2-1-3-5-10/h1-8,13,15,24H,9H2,(H,20,25)(H,22,26)/p-1/b21-8+/t13-,15-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N
InChI: InChI=1S/C16H19N5OS/c1-10-4-2-3-5-13(10)20-14(22)9-23-16-12(8-18)6-11(7-17)15(19)21-16/h6,10,13H,2-5,9H2,1H3,(H2,19,21)(H,20,22)/t10-,13-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)OC(=O)C)O)(C(=O)OCC2=CC=CC=C2)SC3=CC=C(C=C3)N)O
InChI: InChI=1S/C26H32N2O9S/c1-15(30)28-22-20(32)12-26(38-19-10-8-18(27)9-11-19,25(34)35-14-17-6-4-3-5-7-17)37-24(22)23(33)21(13-29)36-16(2)31/h3-11,20-24,29,32-33H,12-14,27H2,1-2H3,(H,28,30)/t20-,21+,22+,23+,24+,26-/m0/s1
SMILES: C1=C[C@H]2[C@@H]([C@H]([C@@H]1O2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O
InChI: InChI=1S/C15H11ClF3NO4/c16-7-2-1-6(15(17,18)19)5-8(7)20-13(21)11-9-3-4-10(24-9)12(11)14(22)23/h1-5,9-12H,(H,20,21)(H,22,23)/t9-,10+,11+,12+/m1/s1
SMILES: C1CCC(C1)C(C2=CC=CC=C2)(C(=O)NC3[C@H]4[C@@H]3CN(C4)CC5=CN=CC=C5)O
InChI: InChI=1S/C24H29N3O2/c28-23(24(29,19-10-4-5-11-19)18-8-2-1-3-9-18)26-22-20-15-27(16-21(20)22)14-17-7-6-12-25-13-17/h1-3,6-9,12-13,19-22,29H,4-5,10-11,14-16H2,(H,26,28)/t20-,21+,22?,24?
SMILES: C1=CC(=C2C(=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)C(=O)NCCCOCCOCCOCCCNC6=C7C(=NC=N6)N(C=N7)[C@H]8[C@@H]([C@@H]([C@H](O8)COP(=O)(O)O)O)O
InChI: InChI=1S/C41H45N6O16P/c48-23-6-8-26-29(18-23)61-30-19-24(49)7-9-27(30)41(26)28-5-1-4-25(32(28)40(53)63-41)38(52)43-11-3-13-58-15-17-59-16-14-57-12-2-10-42-36-33-37(45-21-44-36)47(22-46-33)39-35(51)34(50)31(62-39)20-60-64(54,55)56/h1,4-9,18-19,21-22,31,34-35,39,48-51H,2-3,10-17,20H2,(H,43,52)(H,42,44,45)(H2,54,55,56)/t31-,34-,35-,39-/m1/s1
SMILES: CCNCCO[C@@H]1[C@@H](C2CC[C@H](C3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C
InChI: InChI=1S/C19H33NO5/c1-5-20-10-11-21-16-13(3)15-7-6-12(2)14-8-9-18(4)23-17(22-16)19(14,15)25-24-18/h12-17,20H,5-11H2,1-4H3/t12-,13-,14?,15?,16+,17-,18-,19-/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC6=CC=CC=C6C=C5)CCCCO)CCCCO)OCC=C)N(C)C(=O)C7CC7
InChI: InChI=1S/C46H58N2O7/c1-6-25-52-46-41(48(5)44(51)31-17-18-31)29-39(47-55-45(2,3)4)37-27-33(15-9-11-23-49)36(16-10-12-24-50)42(43(37)46)38-28-35(21-22-40(38)54-46)53-34-20-19-30-13-7-8-14-32(30)26-34/h6-8,13-14,19-22,26-28,31,33,36,41-43,49-50H,1,9-12,15-18,23-25,29H2,2-5H3/t33-,36+,41-,42+,43+,46+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]([C@@H]2Cl)SC3=CC=CC=[N+]3O
InChI: InChI=1S/C12H15ClNOS/c13-11-8-4-5-9(7-8)12(11)16-10-3-1-2-6-14(10)15/h1-3,6,8-9,11-12,15H,4-5,7H2/q+1/t8-,9+,11+,12-/m0/s1
SMILES: COC1=C(C=CC(=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C(=O)N
InChI: InChI=1S/C28H22Cl2FN3O7/c1-41-19-10-14(35)6-7-16(19)21-15-8-9-17-20(23(37)34(22(17)36)26(32)40)18(15)11-27(29)24(38)33(25(39)28(21,27)30)13-4-2-12(31)3-5-13/h2-8,10,17-18,20-21,35H,9,11H2,1H3,(H2,32,40)/t17-,18+,20-,21+,27+,28-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@@H]3CS(=O)(=O)C[C@@H]3O
InChI: InChI=1S/C15H22N2O5S2/c1-12-2-4-13(5-3-12)24(21,22)17-8-6-16(7-9-17)14-10-23(19,20)11-15(14)18/h2-5,14-15,18H,6-11H2,1H3/t14-,15+/m1/s1
SMILES: C1[C@@H]2[C@@H](C(=O)N(C1=O)CC3=CC=CC=C3)C(=O)OC4=C2C=C(C=C4)Br
InChI: InChI=1S/C19H14BrNO4/c20-12-6-7-15-13(8-12)14-9-16(22)21(10-11-4-2-1-3-5-11)18(23)17(14)19(24)25-15/h1-8,14,17H,9-10H2/t14-,17-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=S)NCCC[NH+](C)C
InChI: InChI=1S/C15H31N5S2/c1-11-7-5-8-13(12(11)2)17-15(22)19-18-14(21)16-9-6-10-20(3)4/h11-13H,5-10H2,1-4H3,(H2,16,18,21)(H2,17,19,22)/p+1/t11-,12+,13-/m0/s1
SMILES: CC1=C(C=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)C
InChI: InChI=1S/C24H22ClN3O3/c1-12-5-7-15(10-13(12)2)28-21(29)19-18-4-3-9-27(18)24(20(19)22(28)30)16-11-14(25)6-8-17(16)26-23(24)31/h5-8,10-11,18-20H,3-4,9H2,1-2H3,(H,26,31)/t18-,19+,20+,24+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCSC(=O)C(C)(C)C)OC3=CC=C(C=C3)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)N=[N+]=[N-]
InChI: InChI=1S/C32H45N6O12PS/c1-19-17-38(29(42)35-26(19)39)25-16-22(36-37-33)24(48-25)18-47-51(44,46-13-14-52-28(41)31(2,3)4)50-21-11-9-20(10-12-21)15-23(27(40)45-8)34-30(43)49-32(5,6)7/h9-12,17,22-25H,13-16,18H2,1-8H3,(H,34,43)(H,35,39,42)/t22-,23-,24+,25+,51?/m0/s1
SMILES: C[C@H]1[C@H](C1(C(=O)OC)C(=O)OC)/C=C/[C@H]2[C@@H]([C@H](C[C@H](O2)CC(=O)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C32H38O9/c1-21-25(32(21,30(34)37-3)31(35)38-4)15-16-26-29(40-20-23-13-9-6-10-14-23)27(17-24(41-26)18-28(33)36-2)39-19-22-11-7-5-8-12-22/h5-16,21,24-27,29H,17-20H2,1-4H3/b16-15+/t21-,24-,25+,26-,27-,29-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=COC(=N3)C4=CC=CS4
InChI: InChI=1S/C17H19N3O3S/c1-11-5-2-3-7-17(11)15(21)20(16(22)19-17)9-12-10-23-14(18-12)13-6-4-8-24-13/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,19,22)/t11-,17+/m0/s1
SMILES: CCCCCN1CC[C@@]23CC(=O)CC[C@]2([C@@H]1CC4=C3C(=C(C=C4)OC)O)O
InChI: InChI=1S/C22H31NO4/c1-3-4-5-11-23-12-10-21-14-16(24)8-9-22(21,26)18(23)13-15-6-7-17(27-2)20(25)19(15)21/h6-7,18,25-26H,3-5,8-14H2,1-2H3/t18-,21-,22+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
InChI: InChI=1S/C36H58O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(38)39-34-24-23-33-32-21-19-28-27-29(37)20-22-30(28)31(32)25-26-36(33,34)2/h20,22,27,31-34,37H,3-19,21,23-26H2,1-2H3/t31-,32-,33+,34+,36+/m1/s1
SMILES: C[C@H]1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C25H23NO6/c1-15-4-3-5-20-22(15)24(29)26(23(20)28)18-10-6-17(7-11-18)25(30)32-14-21(27)16-8-12-19(31-2)13-9-16/h3-4,6-13,15,20,22H,5,14H2,1-2H3/t15-,20-,22+/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=CC4=CC=C(C=C4)CN5[C@H]6C(=O)O[C@@H]7C[C@]6([C@H](O5)[C@@H]8[C@H]7OC9(O8)CC3=CC=CC=C3C9)C(=O)NCC3=CC(=CC=C3)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCC1O2
InChI: InChI=1S/C57H69N3O11/c1-53(2,3)68-45(62)21-19-40(32-61)59-50(63)37-13-9-10-35(25-37)30-58-52(65)57-29-43-46-47(70-56(69-46)26-38-11-7-8-12-39(38)27-56)49(57)71-60(48(57)51(64)66-43)31-34-16-14-33(15-17-34)24-36-18-20-44-55(6,67-44)23-22-42-41(36)28-54(42,4)5/h7-17,24-25,40-44,46-49,61H,18-23,26-32H2,1-6H3,(H,58,65)(H,59,63)/t40-,41+,42+,43+,44?,46-,47-,48-,49+,55+,57-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](CO[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C
InChI: InChI=1S/C15H24O4/c1-9-4-5-11-10(2)8-16-13-15(11)12(9)6-7-14(3,17-13)18-19-15/h9-13H,4-8H2,1-3H3/t9-,10+,11+,12+,13-,14-,15+/m1/s1
SMILES: CN1CCN(CC1)C2=CC=C(C=C2)CN3[C@@H]4C[C@H](CC[C@@H]4C[C@H]3C(=O)OC)O
InChI: InChI=1S/C22H33N3O3/c1-23-9-11-24(12-10-23)18-6-3-16(4-7-18)15-25-20-14-19(26)8-5-17(20)13-21(25)22(27)28-2/h3-4,6-7,17,19-21,26H,5,8-15H2,1-2H3/t17-,19+,20-,21+/m1/s1
SMILES: C[C@]12CC[C@H](C([C@@H]1CC[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(CC[C@@]4([C@@]5(CC[C@@H](O5)C(C)(C)O)C)O)C)O)C)(C)C)O
InChI: InChI=1S/C30H52O5/c1-24(2)19-9-13-27(6)20(26(19,5)12-10-21(24)32)17-18(31)23-28(27,7)15-16-30(23,34)29(8)14-11-22(35-29)25(3,4)33/h18-23,31-34H,9-17H2,1-8H3/t18-,19+,20-,21-,22-,23+,26+,27-,28-,29+,30-/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=CC=CC=C4OCCO)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=CC=C8
InChI: InChI=1S/C42H35NO6/c44-22-23-49-35-19-11-10-18-30(35)38-29-20-21-31-37(41(48)43(40(31)47)28-16-8-3-9-17-28)33(29)24-34-39(46)32(26-12-4-1-5-13-26)25-36(45)42(34,38)27-14-6-2-7-15-27/h1-20,25,31,33-34,37-38,44H,21-24H2/t31-,33+,34-,37-,38+,42-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1[C@H](CC[C@H](O1)C2CC2)O
InChI: InChI=1S/C17H34O3Si/c1-11(2)21(12(3)4,13(5)6)20-17-15(18)9-10-16(19-17)14-7-8-14/h11-18H,7-10H2,1-6H3/t15-,16-,17+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)OCC(C)C3=C(C=CC(=C3)I)[N+](=O)[O-])O
InChI: InChI=1S/C20H22IN3O9/c1-10-7-23(19(27)22-18(10)26)17-6-15(25)16(33-17)9-32-20(28)31-8-11(2)13-5-12(21)3-4-14(13)24(29)30/h3-5,7,11,15-17,25H,6,8-9H2,1-2H3,(H,22,26,27)/t11?,15-,16+,17+/m0/s1
SMILES: CC(CC[C@@H](C(=C)C)O)[C@@H]1[C@H](C[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
InChI: InChI=1S/C30H48O3/c1-18(2)22(31)11-9-19(3)26-23(32)17-30(8)21-10-12-24-27(4,5)25(33)14-15-28(24,6)20(21)13-16-29(26,30)7/h10,19-20,22-24,26,31-32H,1,9,11-17H2,2-8H3/t19?,20-,22-,23-,24-,26+,28+,29-,30+/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@@H]([C@@]3(C)C=O)O)O)C
InChI: InChI=1S/C30H46O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](C(=C(NC1=O)SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C23H18Cl3N3O4S/c1-2-33-23(32)20-19(13-5-3-4-6-15(13)24)14(10-27)22(29-21(20)31)34-11-18(30)28-12-7-8-16(25)17(26)9-12/h3-9,19-20H,2,11H2,1H3,(H,28,30)(H,29,31)/t19-,20+/m1/s1
SMILES: C[C@@H]1[C@@H]2C[C@@H]([C@H]3[C@]45CCC[C@]([C@H]4C[C@@H](C3([C@@H]2O)C1=O)OC)(COC5)C)OC(=O)C
InChI: InChI=1S/C23H34O6/c1-12-14-8-15(29-13(2)24)18-22-7-5-6-21(3,10-28-11-22)16(22)9-17(27-4)23(18,19(12)25)20(14)26/h12,14-18,20,26H,5-11H2,1-4H3/t12-,14+,15+,16-,17+,18+,20-,21+,22+,23?/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C28H21BrN2O3/c1-16-6-12-20(13-7-16)31-27(33)22-23(28(31)34)25(26(32)18-8-10-19(29)11-9-18)30-15-14-17-4-2-3-5-21(17)24(22)30/h2-15,22-25H,1H3/t22-,23+,24+,25-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=CC(=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)N(C)C
InChI: InChI=1S/C38H34N4O6/c1-20-17-32(44)35-30(36(20)45)19-28-26(33(35)29-18-25(48-4)13-16-31(29)43)14-15-27-34(28)38(47)42(37(27)46)24-11-7-22(8-12-24)40-39-21-5-9-23(10-6-21)41(2)3/h5-14,16-18,27-28,33-34,43H,15,19H2,1-4H3/t27-,28+,33+,34-/m0/s1
SMILES: CO[C@@H]1C[C@H]2[C@@]3(CCN(CC4=C3C(=C(C=C4)O)O2)CC5CC5)C=C1
InChI: InChI=1S/C20H25NO3/c1-23-15-6-7-20-8-9-21(11-13-2-3-13)12-14-4-5-16(22)19(18(14)20)24-17(20)10-15/h4-7,13,15,17,22H,2-3,8-12H2,1H3/t15-,17-,20-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](CO[C@H]([C@@H]2O1)OC)OS(=O)(=O)C(F)(F)F)C
InChI: InChI=1S/C10H15F3O7S/c1-9(2)18-6-5(20-21(14,15)10(11,12)13)4-17-8(16-3)7(6)19-9/h5-8H,4H2,1-3H3/t5-,6+,7+,8+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CI)OC(=O)SC)OC(=O)C)(C(=O)OC)OC)OC(=O)C
InChI: InChI=1S/C19H28INO11S/c1-9(22)21-14-12(29-10(2)23)7-19(28-5,17(25)27-4)32-16(14)15(30-11(3)24)13(8-20)31-18(26)33-6/h12-16H,7-8H2,1-6H3,(H,21,22)/t12-,13+,14+,15+,16+,19-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC(=C(C=C2)OC)OCC(C)C)/C#N
InChI: InChI=1S/C22H30N2O3/c1-15(2)14-27-21-12-17(9-10-20(21)26-4)11-18(13-23)22(25)24-19-8-6-5-7-16(19)3/h9-12,15-16,19H,5-8,14H2,1-4H3,(H,24,25)/b18-11+/t16-,19-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@@H](O[C@@H]2O1)C=[13CH2])OCC3=CC=CC=C3)C
InChI: InChI=1S/C16H20O4/c1-4-12-13(17-10-11-8-6-5-7-9-11)14-15(18-12)20-16(2,3)19-14/h4-9,12-15H,1,10H2,2-3H3/t12-,13-,14+,15+/m0/s1/i1+1
SMILES: CC1=C(N2[C@H]([C@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=C5N=NN(C(=O)N5C=N4)C)SC1)C(=O)O
InChI: InChI=1S/C22H20N8O6S/c1-10-8-37-20-14(19(33)30(20)15(10)21(34)35)25-17(31)12(11-6-4-3-5-7-11)24-18(32)13-16-26-27-28(2)22(36)29(16)9-23-13/h3-7,9,12,14,20H,8H2,1-2H3,(H,24,32)(H,25,31)(H,34,35)/t12-,14+,20+/m1/s1
SMILES: CCCC[C@]1(CN1)C(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)(C)C3=CC=CC=C3)C
InChI: InChI=1S/C23H35NO2/c1-5-6-14-23(16-24-23)21(25)26-20-15-17(2)12-13-19(20)22(3,4)18-10-8-7-9-11-18/h7-11,17,19-20,24H,5-6,12-16H2,1-4H3/t17-,19-,20-,23+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2OC
InChI: InChI=1S/C19H26N2O5/c1-13-7-3-5-9-15(13)21-17(22)12-26-18(23)11-20-19(24)14-8-4-6-10-16(14)25-2/h4,6,8,10,13,15H,3,5,7,9,11-12H2,1-2H3,(H,20,24)(H,21,22)/t13-,15-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2Cl)N)Cl)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H23Cl2NO10/c1-8(24)28-7-15-17(29-9(2)25)18(30-10(3)26)19(31-11(4)27)20(32-15)33-16-13(21)5-12(23)6-14(16)22/h5-6,15,17-20H,7,23H2,1-4H3/t15-,17-,18+,19-,20+/m1/s1
SMILES: C[C@H]1CC=C(CN1)C2=CSC(=N2)SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@@H](C)O)C(=O)O
InChI: InChI=1S/C19H23N3O4S2/c1-8-4-5-11(6-20-8)12-7-27-19(21-12)28-16-9(2)14-13(10(3)23)17(24)22(14)15(16)18(25)26/h5,7-10,13-14,20,23H,4,6H2,1-3H3,(H,25,26)/t8-,9+,10+,13+,14+/m0/s1
SMILES: C[C@@H]1[C@H]2CO[C@@]3([C@H]2C(=C([C@H]1C3=O)C)OC(=O)C)OC
InChI: InChI=1S/C14H18O5/c1-6-9-5-18-14(17-4)11(9)12(19-8(3)15)7(2)10(6)13(14)16/h6,9-11H,5H2,1-4H3/t6-,9-,10+,11-,14-/m1/s1
SMILES: C[C@@H]1[C@@H](C[C@@H](N[C@H]1CO)C(=O)O)OCC2=CC=CC=C2
InChI: InChI=1S/C15H21NO4/c1-10-13(8-17)16-12(15(18)19)7-14(10)20-9-11-5-3-2-4-6-11/h2-6,10,12-14,16-17H,7-9H2,1H3,(H,18,19)/t10-,12+,13-,14+/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C=C[C@@H]([C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H25NO3/c1-2-32-22-15-13-21(14-16-22)29-27(30)25-23(19-9-5-3-6-10-19)17-18-24(26(25)28(29)31)20-11-7-4-8-12-20/h3-18,23-26H,2H2,1H3/t23-,24-,25+,26+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](O1)C2=CC=CC=C2)[Se]C3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C19H20O3Se/c1-13-16(19(20)21-2)18(23-15-11-7-4-8-12-15)17(22-13)14-9-5-3-6-10-14/h3-13,16-18H,1-2H3/t13-,16-,17-,18+/m1/s1
SMILES: CC(=O)[C@H]1[C@@H](C([C@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C24H19N3O3/c1-15(28)22-21(17-7-9-18(10-8-17)23(29)30-2)24(13-25,14-26)20-12-11-16-5-3-4-6-19(16)27(20)22/h3-12,20-22H,1-2H3/t20-,21-,22-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)NCC4=CC=CC=C4)CN5CCC6(CC5)C(=O)NCN6C7=CC=CC=C7
InChI: InChI=1S/C40H45N5O5/c1-28-35(25-44-21-19-40(20-22-44)38(47)42-27-45(40)34-13-6-3-7-14-34)49-37(50-36(28)31-17-15-30(26-46)16-18-31)32-11-8-12-33(23-32)43-39(48)41-24-29-9-4-2-5-10-29/h2-18,23,28,35-37,46H,19-22,24-27H2,1H3,(H,42,47)(H2,41,43,48)/t28-,35+,36+,37+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H]3COC(=S)O3)OC(=O)C(C)(C)C)C
InChI: InChI=1S/C15H22O7S/c1-14(2,3)12(16)20-9-8(7-6-17-13(23)18-7)19-11-10(9)21-15(4,5)22-11/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11-/m1/s1
SMILES: CC(=O)C1=CC2=C(C=C1)N[C@H]([C@H]3[C@@H]2C=CC3)C(=O)O
InChI: InChI=1S/C15H15NO3/c1-8(17)9-5-6-13-12(7-9)10-3-2-4-11(10)14(16-13)15(18)19/h2-3,5-7,10-11,14,16H,4H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1
SMILES: C[C@@H]1C[C@H]1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC
InChI: InChI=1S/C19H20N2O3/c1-12-11-15(12)19(23)20-14-9-7-13(8-10-14)18(22)21-16-5-3-4-6-17(16)24-2/h3-10,12,15H,11H2,1-2H3,(H,20,23)(H,21,22)/t12-,15-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@]2([C@H](C=C1O[Si](C)(C)C(C)(C)C)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5N(C2=O)CC6=CC=CC=C6
InChI: InChI=1S/C46H58N2O4Si2/c1-44(2,3)53(7,8)51-40-30-38(42(49)47(36-26-18-13-19-27-36)32-34-22-14-11-15-23-34)46(31-41(40)52-54(9,10)45(4,5)6)37-28-20-21-29-39(37)48(43(46)50)33-35-24-16-12-17-25-35/h11-30,38,41H,31-33H2,1-10H3/t38-,41-,46+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@@H](C(=C)[C@@H]2O1)O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C16H20O4/c1-10-12(17)14(15-13(10)19-16(2,3)20-15)18-9-11-7-5-4-6-8-11/h4-8,12-15,17H,1,9H2,2-3H3/t12-,13+,14+,15+/m1/s1
SMILES: C[C@@H]1[C@H](C(CCC/C=C\C[C@H](OC(=O)C[C@@H](C2(C1=O)CC2)O)/C(=C/C3=CSC(=N3)C)/C)(C)C)O
InChI: InChI=1S/C27H39NO5S/c1-17(14-20-16-34-19(3)28-20)21-10-8-6-7-9-11-26(4,5)24(31)18(2)25(32)27(12-13-27)22(29)15-23(30)33-21/h6,8,14,16,18,21-22,24,29,31H,7,9-13,15H2,1-5H3/b8-6-,17-14+/t18-,21+,22+,24-/m1/s1
SMILES: CC1=CC(=C(C=C1)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@]([C@@H]3C2=O)(O4)CO
InChI: InChI=1S/C17H17NO4/c1-9-3-4-10(2)11(7-9)18-15(20)13-12-5-6-17(8-19,22-12)14(13)16(18)21/h3-7,12-14,19H,8H2,1-2H3/t12-,13-,14+,17-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@]3([C@H]1[C@H]4[C@@H](C(=C3C(=CO2)C)C)OC(O4)(C)C)C
InChI: InChI=1S/C19H28O3/c1-10-7-8-13-19(6)14(11(2)9-20-13)12(3)16-17(15(10)19)22-18(4,5)21-16/h9-10,13,15-17H,7-8H2,1-6H3/t10-,13+,15-,16-,17+,19-/m1/s1
SMILES: C1=CSC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)CO)O
InChI: InChI=1S/C15H16N6O4S/c16-12-10-13(18-5-17-12)21(6-19-10)15-9(11(23)7(4-22)25-15)20-14(24)8-2-1-3-26-8/h1-3,5-7,9,11,15,22-23H,4H2,(H,20,24)(H2,16,17,18)/t7-,9-,11-,15-/m1/s1
SMILES: C1[C@H]2[C@@H](CC1=C(F)F)C3=C(C=CC(=C3)O)O[C@H]2C4=CC=C(C=C4)O
InChI: InChI=1S/C19H16F2O3/c20-19(21)11-7-14-15-9-13(23)5-6-17(15)24-18(16(14)8-11)10-1-3-12(22)4-2-10/h1-6,9,14,16,18,22-23H,7-8H2/t14-,16-,18-/m0/s1
SMILES: CC1=C2C(=CC=C1)C3=CC=CC(=C3OP(O2)O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5OP6OC7=C(C=CC=C7C8=CC=CC(=C8O6)C)C)C
InChI: InChI=1S/C34H32O8P2/c1-19-9-5-13-23-24-14-6-10-20(2)30(24)40-43(39-29(19)23)37-27-17-35-34-28(18-36-33(27)34)38-44-41-31-21(3)11-7-15-25(31)26-16-8-12-22(4)32(26)42-44/h5-16,27-28,33-34H,17-18H2,1-4H3/t27-,28-,33-,34-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)[Si](C)(C)C(C)(C)C(C)C)OC(=O)C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C(C)C
InChI: InChI=1S/C28H49NO4Si2/c1-19(2)27(6,7)34(10,11)29-24(30)23(21(5)33-35(12,13)28(8,9)20(3)4)25(29)32-26(31)22-17-15-14-16-18-22/h14-21,23,25H,1-13H3/t21-,23+,25-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1C(=O)[C@@H](CO)O)(C(=O)O)OC)O
InChI: InChI=1S/C12H19NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-8,10,14,16-17H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,10+,12-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H24ClN3OS/c1-12-5-4-6-18(13(12)2)23-20(26)19-11-17-14(3)24-25(21(17)27-19)16-9-7-15(22)8-10-16/h7-13,18H,4-6H2,1-3H3,(H,23,26)/t12-,13+,18-/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](COC2=CC=CC=C2)O)C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C22H30O6/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,16,18-21,23-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20+,21-/m1/s1
SMILES: [2H]C1=C([C@H]([C@@H]([C@H](C1=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C35H34O5/c36-32-21-31(26-37-22-27-13-5-1-6-14-27)33(38-23-28-15-7-2-8-16-28)35(40-25-30-19-11-4-12-20-30)34(32)39-24-29-17-9-3-10-18-29/h1-21,33-35H,22-26H2/t33-,34+,35+/m1/s1/i21D
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC2=C(C=C(C=C2)OC)[N+](=O)[O-]
InChI: InChI=1S/C17H24N2O5/c1-11-6-4-5-7-14(11)18-17(20)12(2)24-16-9-8-13(23-3)10-15(16)19(21)22/h8-12,14H,4-7H2,1-3H3,(H,18,20)/t11-,12+,14+/m0/s1
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C19H21N3O3S/c1-11-6-7-14-15(10-11)26-19(20-14)21-16(23)8-9-22-17(24)12-4-2-3-5-13(12)18(22)25/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,20,21,23)/t12-,13+
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CN7CCC8=CC(=C(C=C8C7)OC)OC
InChI: InChI=1S/C49H51N3O9/c1-31-44(28-51-22-21-37-23-42(57-2)43(58-3)24-39(37)26-51)60-48(61-46(31)35-15-13-32(29-53)14-16-35)36-19-17-34(18-20-36)40-12-8-7-11-38(40)27-52-45(54)25-41(47(52)55)50-49(56)59-30-33-9-5-4-6-10-33/h4-20,23-24,31,41,44,46,48,53H,21-22,25-30H2,1-3H3,(H,50,56)/t31-,41?,44+,46+,48+/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H]([C@@H]4CCOC4)NC(=O)C5=NC6=CC=CC=C6C=C5)O
InChI: InChI=1S/C40H53N5O5/c1-40(2,3)44-38(48)34-22-28-14-7-8-15-29(28)23-45(34)24-35(46)33(21-26-11-5-4-6-12-26)42-39(49)36(30-19-20-50-25-30)43-37(47)32-18-17-27-13-9-10-16-31(27)41-32/h4-6,9-13,16-18,28-30,33-36,46H,7-8,14-15,19-25H2,1-3H3,(H,42,49)(H,43,47)(H,44,48)/t28-,29+,30+,33-,34-,35+,36-/m0/s1
SMILES: C/C(=C(/C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)\N3[C@@H]([C@@H](C3=O)NC(=O)COC4=CC=CC=C4)SSC5=NC6=CC=CC=C6S5)/OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C36H28F3N3O8S4/c1-22(50-54(46,47)36(37,38)39)30(34(45)49-31(23-13-5-2-6-14-23)24-15-7-3-8-16-24)42-32(44)29(41-28(43)21-48-25-17-9-4-10-18-25)33(42)52-53-35-40-26-19-11-12-20-27(26)51-35/h2-20,29,31,33H,21H2,1H3,(H,41,43)/b30-22+/t29-,33-/m1/s1