EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC(=C(C=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)C(=O)N)C(=O)N(C3=O)C(=O)N
InChI: InChI=1S/C23H22N4O8/c1-35-8-2-5-14(28)12(6-8)15-9-3-4-10-16(20(31)26(18(10)29)22(24)33)11(9)7-13-17(15)21(32)27(19(13)30)23(25)34/h2-3,5-6,10-11,13,15-17,28H,4,7H2,1H3,(H2,24,33)(H2,25,34)/t10-,11+,13+,15+,16-,17+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3F)F)C4=CN=CC=C4
InChI: InChI=1S/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2/t12-,13-,16+/m0/s1
SMILES: C1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)C(=C2)C4=CC=C(O4)C(=O)O
InChI: InChI=1S/C20H18O11/c21-7-14-15(22)16(23)17(24)20(31-14)28-9-2-1-8-5-10(19(27)30-13(8)6-9)11-3-4-12(29-11)18(25)26/h1-6,14-17,20-24H,7H2,(H,25,26)/t14-,15-,16+,17-,20-/m1/s1
SMILES: C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N)C(=O)N
InChI: InChI=1S/C12H16N6O4/c13-1-5-7(19)8(20)12(22-5)18-2-4(10(15)21)6-9(14)16-3-17-11(6)18/h2-3,5,7-8,12,19-20H,1,13H2,(H2,15,21)(H2,14,16,17)/t5-,7-,8-,12-/m1/s1
SMILES: C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)C
InChI: InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)21-22-30(8)27(6)19-20-29(31)28(30)7/h13-15,18,27-28H,9-12,16-17,19-22H2,1-8H3/b24-14+,25-18+,26-15+/t27-,28+,30+/m1/s1
SMILES: C[C@H]1[C@H](OCCOCCOCCOCCN1CC(=O)OC(C)(C)C)C2=CC=CC=C2
InChI: InChI=1S/C23H37NO6/c1-19-22(20-8-6-5-7-9-20)29-17-16-28-15-14-27-13-12-26-11-10-24(19)18-21(25)30-23(2,3)4/h5-9,19,22H,10-18H2,1-4H3/t19-,22-/m0/s1
SMILES: C[C@@H]1CC[C@H](N2[C@H]1CC[C@@](C2)(CO)O)C3=COC=C3
InChI: InChI=1S/C15H23NO3/c1-11-2-3-14(12-5-7-19-8-12)16-9-15(18,10-17)6-4-13(11)16/h5,7-8,11,13-14,17-18H,2-4,6,9-10H2,1H3/t11-,13+,14+,15-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[N+]3=CC=C(N3C)NC=O)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5.[I-]
InChI: InChI=1S/C31H33N5O6S.HI/c1-31(2,3)42-30(40)33-24-27(38)36-25(22(18-43-28(24)36)17-35-16-15-23(32-19-37)34(35)4)29(39)41-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21;/h5-16,19,24,26,28H,17-18H2,1-4H3,(H,33,40);1H/t24-,28-;/m1./s1
SMILES: CCCCN(CCCC)CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CCC4([C@@H]3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O
InChI: InChI=1S/C33H51NO7/c1-4-6-16-34(17-7-5-2)20-29(37)41-24-8-13-31(22-35)26-9-12-30(3)25(23-18-28(36)40-21-23)11-15-33(30,39)27(26)10-14-32(31,38)19-24/h18,22,24-27,38-39H,4-17,19-21H2,1-3H3/t24-,25+,26-,27+,30+,31-,32-,33?/m0/s1
SMILES: CCCCCCCCN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O
InChI: InChI=1S/C19H30N5O6P/c1-3-4-5-6-7-8-9-23(2)17-14-18(21-11-20-17)24(12-22-14)19-15(25)16-13(29-19)10-28-31(26,27)30-16/h11-13,15-16,19,25H,3-10H2,1-2H3,(H,26,27)/t13-,15-,16-,19-/m1/s1
SMILES: CC1=CC(=NC(=N1)NC2=N[C@H]3CCCC[C@H]3N2C(=O)NC4=CC(=C(C=C4)Cl)Cl)C
InChI: InChI=1S/C20H22Cl2N6O/c1-11-9-12(2)24-18(23-11)27-19-26-16-5-3-4-6-17(16)28(19)20(29)25-13-7-8-14(21)15(22)10-13/h7-10,16-17H,3-6H2,1-2H3,(H,25,29)(H,23,24,26,27)/t16-,17+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCC(=O)OC)C)C)O)O)O)O)O
InChI: InChI=1S/C37H58O13/c1-17(6-11-25(38)46-5)22-9-10-23-21-8-7-19-16-20(12-14-36(19,3)24(21)13-15-37(22,23)4)48-35-30(43)28(41)31(32(50-35)33(44)45)49-34-29(42)27(40)26(39)18(2)47-34/h7,17-18,20-24,26-32,34-35,39-43H,6,8-16H2,1-5H3,(H,44,45)/t17?,18-,20?,21?,22?,23?,24?,26-,27+,28+,29+,30+,31-,32-,34-,35+,36?,37?/m0/s1
SMILES: C[C@H](CCCC(C)(C)F)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C27H43FO2/c1-18(8-6-14-26(3,4)28)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(29)17-25(30)19(21)2/h10-11,18,22-25,29-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
SMILES: CCC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)OC(=O)C)N5CCCCC5)C)C)[N+]6(CCCCC6)CC=C.[Br-]
InChI: InChI=1S/C37H61N2O4.BrH/c1-6-20-39(21-12-9-13-22-39)32-24-30-28-15-14-27-23-33(42-26(3)40)31(38-18-10-8-11-19-38)25-37(27,5)29(28)16-17-36(30,4)35(32)43-34(41)7-2;/h6,27-33,35H,1,7-25H2,2-5H3;1H/q+1;/p-1/t27-,28+,29-,30-,31-,32-,33-,35-,36-,37-;/m0./s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)N([C@H]1CC2=CC=CC=C2)CC3=CC=C(C=C3)OC
InChI: InChI=1S/C25H35NO3Si/c1-25(2,3)30(5,6)29-23-17-24(27)26(18-20-12-14-21(28-4)15-13-20)22(23)16-19-10-8-7-9-11-19/h7-15,22-23H,16-18H2,1-6H3/t22-,23-/m0/s1
SMILES: C[C@@]12CC[C@H]3[C@@H]([C@@H]1CC[C@@H]2C(=O)OC)CC=C4[C@@]3(CC[C@H](C4)O)C
InChI: InChI=1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15-,16+,17+,18-,20+,21-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](C2(Cl)Cl)C(=O)NC3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C16H12Cl2N2O3/c17-16(18)13(10-6-2-1-3-7-10)14(16)15(21)19-11-8-4-5-9-12(11)20(22)23/h1-9,13-14H,(H,19,21)/t13-,14-/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC(=C3)C=COCCO)C(=O)N4CCC[C@@H]4C(=O)NCCO)CCCCC
InChI: InChI=1S/C36H52N2O9/c1-3-5-7-15-36(16-8-6-4-2)46-31-25-28(34(42)38-18-10-13-29(38)33(41)37-17-19-39)24-30(32(31)47-36)45-35(43)27-12-9-11-26(23-27)14-21-44-22-20-40/h9,11-12,14,21,23,25,29-32,39-40H,3-8,10,13,15-20,22,24H2,1-2H3,(H,37,41)/t29-,30-,31-,32+/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)NC(=O)CCCCCNC(=O)C)CSC4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C34H40N2O7S/c1-22-30(21-44-29-17-13-26(14-18-29)33(40)41)42-34(43-32(22)25-9-7-24(20-37)8-10-25)27-11-15-28(16-12-27)36-31(39)6-4-3-5-19-35-23(2)38/h7-18,22,30,32,34,37H,3-6,19-21H2,1-2H3,(H,35,38)(H,36,39)(H,40,41)/t22-,30+,32+,34+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)OC(F)(F)F)O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)N7N1C(=O)N(C7=O)C8=CC=CC=C8
InChI: InChI=1S/C37H26ClF3N4O6/c38-22-10-7-13-24(18-22)43-32(47)28-20-29-26(16-17-42-34(49)44(35(50)45(29)42)23-11-5-2-6-12-23)31(36(28,33(43)48)21-8-3-1-4-9-21)27-19-25(14-15-30(27)46)51-37(39,40)41/h1-16,18-19,28-29,31,46H,17,20H2/t28-,29+,31+,36+/m0/s1
SMILES: C1CCC2(CC1)O[C@H]3C[C@@H]([C@@H]4[C@@H]([C@H]3O2)OC5(O4)CCCCC5)OCC6=CC=CC=C6
InChI: InChI=1S/C25H34O5/c1-4-10-18(11-5-1)17-26-19-16-20-22(29-24(27-20)12-6-2-7-13-24)23-21(19)28-25(30-23)14-8-3-9-15-25/h1,4-5,10-11,19-23H,2-3,6-9,12-17H2/t19-,20-,21+,22-,23-/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O
InChI: InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C
InChI: InChI=1S/C24H28O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,11,13,17-20H,4-5,7-10,12H2,1-2H3/t17-,18+,19+,20+,22-,23+,24+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC(=C3Br)[N+](=O)[O-])CI)C
InChI: InChI=1S/C11H13BrIN3O5/c1-11(2)20-6-5(3-13)19-10(7(6)21-11)15-4-14-9(8(15)12)16(17)18/h4-7,10H,3H2,1-2H3/t5-,6-,7-,10-/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)C4=CC=CC(=C4)CNC(=O)C5=NC6=CC=CC=C6N=C5)CN7CCN(CC7)C8=NC=CC=N8
InChI: InChI=1S/C43H43N7O4/c1-29-39(27-49-20-22-50(23-21-49)43-44-18-5-19-45-43)53-42(54-40(29)33-12-10-30(28-51)11-13-33)34-16-14-32(15-17-34)35-7-4-6-31(24-35)25-47-41(52)38-26-46-36-8-2-3-9-37(36)48-38/h2-19,24,26,29,39-40,42,51H,20-23,25,27-28H2,1H3,(H,47,52)/t29-,39+,40+,42+/m1/s1
SMILES: CC(C)(C)C1=CSC(=N1)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C16H20N2O3S/c1-16(2,3)10-7-22-15(17-10)18-13(19)11-8-4-5-9(6-8)12(11)14(20)21/h4-5,7-9,11-12H,6H2,1-3H3,(H,20,21)(H,17,18,19)/t8-,9+,11-,12+/m1/s1
SMILES: C[C@H](CCC(=C)C(C)[13CH3])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1/i1+1/t18?,20-,22+,23+,24-,25+,26+,27+,28-
SMILES: CC1=C(C=CC(=C1)Cl)O[C@H]2[C@@H](N(C2=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C24H17ClF3NO4/c1-13-9-16(25)6-8-18(13)33-22-21(14-5-7-19-20(10-14)32-12-31-19)29(23(22)30)17-4-2-3-15(11-17)24(26,27)28/h2-11,21-22H,12H2,1H3/t21-,22-/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H21ClN2O5/c1-12-4-2-3-9-19(12)17(25)22(18(26)21-19)10-16(24)27-11-15(23)13-5-7-14(20)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,21,26)/t12-,19-/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC3=NC(=NN23)SCC4=CC=CC=C4)C(=O)N
InChI: InChI=1S/C23H25N5OS/c1-14(2)17-9-11-18(12-10-17)20-19(21(24)29)15(3)25-22-26-23(27-28(20)22)30-13-16-7-5-4-6-8-16/h4-12,14,19-20H,3,13H2,1-2H3,(H2,24,29)(H,25,26,27)/t19-,20+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC2=C(C1=O)[C@@H](C(=C(N2)C)C(=O)OCC)C3=C(C=C(C=C3)OC)OC)C4=CC=C(C=C4)OC
InChI: InChI=1S/C31H35NO8/c1-7-39-30(34)25-17(3)32-23-16-22(18-9-11-19(36-4)12-10-18)27(31(35)40-8-2)29(33)28(23)26(25)21-14-13-20(37-5)15-24(21)38-6/h9-15,22,26-27,32H,7-8,16H2,1-6H3/t22-,26+,27-/m0/s1
SMILES: C/C=C/C(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]([C@H]1OC)COC)OC)O
InChI: InChI=1S/C13H22O7/c1-5-6-9(14)20-12-10(15)13(18-4)19-8(7-16-2)11(12)17-3/h5-6,8,10-13,15H,7H2,1-4H3/b6-5+/t8-,10+,11-,12-,13+/m1/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCC2=CC=CC=C2)C3=CC=CC=C3)CCCO
InChI: InChI=1S/C24H29NO4/c1-2-28-24-20(14-9-15-26)21(19-12-7-4-8-13-19)16-22(29-24)23(27)25-17-18-10-5-3-6-11-18/h3-8,10-13,16,20-21,24,26H,2,9,14-15,17H2,1H3,(H,25,27)/t20-,21+,24+/m0/s1
SMILES: C[C@@]12CC=C3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@]4([C@@]3(CCC5(C4)OCC(CO5)(C)C)C=O)O
InChI: InChI=1S/C24H36O5/c1-20(2)14-28-24(29-15-20)11-10-22(13-25)18-7-8-21(3)17(4-5-19(21)26)16(18)6-9-23(22,27)12-24/h7,13,16-17,19,26-27H,4-6,8-12,14-15H2,1-3H3/t16-,17-,19-,21+,22-,23+/m0/s1
SMILES: C1[C@@H]([C@@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)O
InChI: InChI=1S/C17H17N5O4/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25)/t11-,12-,13+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C[C@@H](C(=O)O)N)O)O)O
InChI: InChI=1S/C23H33N3O12/c1-9(37-23-19(31)18(30)17(29)10(2)38-23)16(22(35)36)26-20(32)14(7-11-3-5-12(27)6-4-11)25-15(28)8-13(24)21(33)34/h3-6,9-10,13-14,16-19,23,27,29-31H,7-8,24H2,1-2H3,(H,25,28)(H,26,32)(H,33,34)(H,35,36)/t9-,10+,13+,14+,16+,17-,18-,19+,23-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)NC)C)[C@H](C)C(=O)N4CCSCC4)O
InChI: InChI=1S/C21H33N3O2S2/c1-12(19(26)24-7-9-27-10-8-24)14-5-6-21(3)11-15-17(23-20(22-4)28-15)13(2)16(21)18(14)25/h12-14,16,18,25H,5-11H2,1-4H3,(H,22,23)/t12-,13-,14+,16+,18-,21-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]4(C2=O)C[C@]([C@H]5[C@]4([C@@H]1O)OC(=O)O5)(C)O)C
InChI: InChI=1S/C26H42O7Si/c1-8-34(9-2,10-3)33-17-12-15-18-16(23(18,5)6)11-14(4)25(19(15)27)13-24(7,30)21-26(25,20(17)28)32-22(29)31-21/h14-18,20-21,28,30H,8-13H2,1-7H3/t14-,15+,16-,17+,18+,20-,21+,24+,25+,26+/m1/s1
SMILES: CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H](C(C2)N3C)O)COC(=O)C(=O)CS5)OCO7)C)OC(=O)C)C(=C1OC)O
InChI: InChI=1S/C30H32N2O10S/c1-11-6-14-7-15-29(36)32-16-8-39-30(37)17(34)9-43-28(22(32)21(31(15)4)18(14)23(35)24(11)38-5)20-19(16)27-26(40-10-41-27)12(2)25(20)42-13(3)33/h6,15-16,21-22,28-29,35-36H,7-10H2,1-5H3/t15?,16-,21+,22+,28+,29-/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1CC3(C4CC2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)C(C#CCCC(C)C)O
InChI: InChI=1S/C27H38O4/c1-16(2)8-6-7-9-23(29)26-14-20-18(5)10-11-21(20)25(15-28)13-19(26)12-22(17(3)4)27(25,26)24(30)31/h12,15-21,23,29H,6,8,10-11,13-14H2,1-5H3,(H,30,31)/t18-,19?,20-,21-,23?,25?,26?,27+/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)C4=CC=CC=C4CNC(=O)C5=CC=CC=C5)CN(CC6=CC=CC=C6)CC7=CC=CC=C7
InChI: InChI=1S/C47H46N2O4/c1-34-44(32-49(30-35-13-5-2-6-14-35)31-36-15-7-3-8-16-36)52-47(53-45(34)39-23-21-37(33-50)22-24-39)41-27-25-38(26-28-41)43-20-12-11-19-42(43)29-48-46(51)40-17-9-4-10-18-40/h2-28,34,44-45,47,50H,29-33H2,1H3,(H,48,51)/t34-,44+,45+,47+/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]2[C@H](N1)[C@@H]([C@H](CO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C24H29NO5/c1-2-27-24(26)19-13-20-22(25-19)23(30-15-18-11-7-4-8-12-18)21(16-29-20)28-14-17-9-5-3-6-10-17/h3-12,19-23,25H,2,13-16H2,1H3/t19-,20-,21+,22+,23-/m1/s1
SMILES: C[C@@H](C(=O)O)O[C@H]1[C@@H]([C@@H](O[C@@H]2[C@@H]1O[C@@H](OC2)C3=CC=CC=C3)OCCC4=CC=CC=C4)NC(=O)C
InChI: InChI=1S/C26H31NO8/c1-16(24(29)30)33-23-21(27-17(2)28)26(31-14-13-18-9-5-3-6-10-18)34-20-15-32-25(35-22(20)23)19-11-7-4-8-12-19/h3-12,16,20-23,25-26H,13-15H2,1-2H3,(H,27,28)(H,29,30)/t16-,20-,21-,22-,23-,25+,26+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)/C=C(/C#N)\F)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C18H26FN3O4Si/c1-11-10-22(17(24)21-16(11)23)15-8-14(13(25-15)7-12(19)9-20)26-27(5,6)18(2,3)4/h7,10,13-15H,8H2,1-6H3,(H,21,23,24)/b12-7-/t13-,14+,15-/m1/s1
SMILES: C1C[C@H]([N@@+](C1)(CC2=NC3=CC=CC=C3C=C2)[O-])C(C4=CC=CC=C4)(C5=CC=CC=C5)O
InChI: InChI=1S/C27H26N2O2/c30-27(22-11-3-1-4-12-22,23-13-5-2-6-14-23)26-16-9-19-29(26,31)20-24-18-17-21-10-7-8-15-25(21)28-24/h1-8,10-15,17-18,26,30H,9,16,19-20H2/t26-,29+/m0/s1
SMILES: C[C@@]12C[C@@H](C[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)[C@@H]4O[Si](C)(C)C(C)(C)C)(C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C38H70O6Si3/c1-25-26-18-19-28-36(11)23-27(42-45(12,13)33(2,3)4)24-38(31(39)40,32(41)44-47(16,17)35(8,9)10)29(36)20-21-37(28,22-26)30(25)43-46(14,15)34(5,6)7/h26-30H,1,18-24H2,2-17H3,(H,39,40)/t26-,27+,28+,29+,30+,36+,37-,38-/m1/s1
SMILES: C[C@@H]1CC(=O)C[C@H]([C@@]1(C)[C@@H]2C[C@H]3CCO[C@H]3O2)CCCC(OC)OC
InChI: InChI=1S/C20H34O5/c1-13-10-16(21)12-15(6-5-7-18(22-3)23-4)20(13,2)17-11-14-8-9-24-19(14)25-17/h13-15,17-19H,5-12H2,1-4H3/t13-,14-,15-,17+,19+,20+/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)[C@H]2[C@@H]3CCCC=C3[C@H](C(=N)C2(C#N)C#N)C#N)C
InChI: InChI=1S/C22H22N4/c1-13-8-14(2)19(15(3)9-13)20-17-7-5-4-6-16(17)18(10-23)21(26)22(20,11-24)12-25/h6,8-9,17-18,20,26H,4-5,7H2,1-3H3/t17-,18-,20-/m1/s1
SMILES: CCOC(=O)C[C@@H]1[C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)N2C=CC(=NC2=O)N3C=NC=N3)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H47N5O6Si2/c1-12-35-22(33)15-19-20(16-36-39(8,9)26(2,3)4)37-24(23(19)38-40(10,11)27(5,6)7)31-14-13-21(30-25(31)34)32-18-28-17-29-32/h13-14,17-20,23-24H,12,15-16H2,1-11H3/t19-,20-,23-,24-/m1/s1
SMILES: CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C)(C)C)O
InChI: InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-25,34-36,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39+,40-/m0/s1
SMILES: C1CC[C@@]23[C@@H](C1)[C@@H](C4=C([NH+]2CCO3)CCCC4)C5=CC=CC=C5
InChI: InChI=1S/C21H27NO/c1-2-8-16(9-3-1)20-17-10-4-5-12-19(17)22-14-15-23-21(22)13-7-6-11-18(20)21/h1-3,8-9,18,20H,4-7,10-15H2/p+1/t18-,20+,21+/m0/s1
SMILES: CCCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=C/C(=N/OC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)/C=C[C@]34C)F)O)C)C
InChI: InChI=1S/C42H47FN2O7/c1-5-6-7-15-35(48)51-22-34(47)36-23(2)18-29-28-20-31(43)30-19-24(16-17-41(30,3)37(28)33(46)21-42(29,36)4)45-52-40(50)27-13-10-12-26-38(27)44-32-14-9-8-11-25(32)39(26)49/h8-14,16-17,19,23,28-29,31,33,36-37,46H,5-7,15,18,20-22H2,1-4H3,(H,44,49)/b45-24+/t23-,28+,29+,31+,33+,36-,37-,41+,42+/m1/s1
SMILES: CCCCCCC(=O)OCCOC(=O)CCCSCC[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@H](CC2=CC(=CC=C2)COC)O
InChI: InChI=1S/C32H48O8S/c1-3-4-5-6-11-31(36)39-16-17-40-32(37)12-8-18-41-19-15-28-27(29(34)22-30(28)35)14-13-26(33)21-24-9-7-10-25(20-24)23-38-2/h7,9-10,13-14,20,26-29,33-34H,3-6,8,11-12,15-19,21-23H2,1-2H3/b14-13+/t26-,27-,28-,29-/m1/s1
SMILES: CC1(CSC(=NCC2=CC=CC=C2)N1C(=O)CN3C(=O)[C@H]4[C@@H]5C[C@H]([C@H]4C3=O)C=C5)C
InChI: InChI=1S/C23H25N3O3S/c1-23(2)13-30-22(24-11-14-6-4-3-5-7-14)26(23)17(27)12-25-20(28)18-15-8-9-16(10-15)19(18)21(25)29/h3-9,15-16,18-19H,10-13H2,1-2H3/t15-,16+,18-,19+
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC=CC=C4F)C(=O)CC5CC6CCC5C6)C(=O)NCCO)CO
InChI: InChI=1S/C33H39FN2O7/c1-42-27-13-19(17-38)12-23-29-24(33(41)35-8-9-37)15-26(30(40)32(29)43-31(23)27)36(16-21-4-2-3-5-25(21)34)28(39)14-22-11-18-6-7-20(22)10-18/h2-5,12-13,15,18,20,22,26,29-30,32,37-38,40H,6-11,14,16-17H2,1H3,(H,35,41)/t18?,20?,22?,26-,29+,30+,32+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC)CO
InChI: InChI=1S/C13H20O9/c1-6(15)19-10-9(5-14)22-13(18-4)12(21-8(3)17)11(10)20-7(2)16/h9-14H,5H2,1-4H3/t9-,10-,11+,12+,13+/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=CO5
InChI: InChI=1S/C22H18N2O4/c1-14-7-5-10-16(13-14)23-21(25)18-19(17-11-6-12-27-17)24(28-20(18)22(23)26)15-8-3-2-4-9-15/h2-13,18-20H,1H3/t18-,19-,20+/m0/s1
SMILES: CC[C@@H]1[C@@](C2C(C(=NC(=O)C)C(C[C@](C([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3C([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=C\C#CC4=CN=CC=C4)/CO2)C)C)C)(C)O
InChI: InChI=1S/C42H61N3O10/c1-12-33-42(9,50)38-26(4)34(44-29(7)46)24(2)20-41(8,52-23-31(22-51-38)16-13-15-30-17-14-18-43-21-30)37(27(5)35(47)28(6)39(49)54-33)55-40-36(48)32(45(10)11)19-25(3)53-40/h14,16-18,21,24-28,32-33,36-38,40,48,50H,12,19-20,22-23H2,1-11H3/b31-16-,44-34?/t24?,25-,26?,27+,28-,32+,33-,36?,37?,38?,40+,41-,42-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](N(O1)C(C)(C)C)C2=CC=CC=C2)C(=O)N3CCOC3=O
InChI: InChI=1S/C18H24N2O4/c1-12-14(16(21)19-10-11-23-17(19)22)15(13-8-6-5-7-9-13)20(24-12)18(2,3)4/h5-9,12,14-15H,10-11H2,1-4H3/t12-,14-,15+/m1/s1
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)OC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4
InChI: InChI=1S/C23H29N3O4/c1-14-21(23(29)26(25(14)3)19-7-5-4-6-8-19)24-22(28)15(2)30-20(27)13-18-12-16-9-10-17(18)11-16/h4-8,15-18H,9-13H2,1-3H3,(H,24,28)/t15-,16+,17-,18+/m0/s1
SMILES: C1CC2=CC=CC=C2C3(C1)CCN(CC3)[C@@H]4CN(CC[C@H]4O)CC5=CC=C(C=C5)F
InChI: InChI=1S/C26H33FN2O/c27-22-9-7-20(8-10-22)18-28-15-11-25(30)24(19-28)29-16-13-26(14-17-29)12-3-5-21-4-1-2-6-23(21)26/h1-2,4,6-10,24-25,30H,3,5,11-19H2/t24-,25-/m1/s1
SMILES: C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C(C3=O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O)\C)O[C@]5(C4)C[C@@H]([C@@H]([C@H](O5)C(C)C)C)O)O
InChI: InChI=1S/C33H46O9/c1-17(2)29-21(6)26(34)15-32(42-29)14-24-13-23(41-32)11-10-19(4)27(35)18(3)8-7-9-22-16-39-30-28(36)20(5)12-25(31(37)40-24)33(22,30)38/h7-10,12,17-18,21,23-27,29-30,34-35,38H,11,13-16H2,1-6H3/b8-7+,19-10+,22-9+/t18-,21-,23+,24-,25-,26-,27-,29+,30+,32-,33+/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)/C(=C/C6=CN=CC=C6)/C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O
InChI: InChI=1S/C26H26N2O4/c29-19-6-5-17-11-20-26(31)12-18(10-16-2-1-8-27-13-16)22(30)24-25(26,21(17)23(19)32-24)7-9-28(20)14-15-3-4-15/h1-2,5-6,8,10,13,15,20,24,29,31H,3-4,7,9,11-12,14H2/b18-10+/t20-,24+,25+,26-/m1/s1
SMILES: CC(=O)OC[C@H]1C[C@@]2([C@@H]([C@@H]1OC(=O)C)OC(=O)C)C(=O)NC(=O)N2
InChI: InChI=1S/C14H18N2O8/c1-6(17)22-5-9-4-14(12(20)15-13(21)16-14)11(24-8(3)19)10(9)23-7(2)18/h9-11H,4-5H2,1-3H3,(H2,15,16,20,21)/t9-,10-,11-,14-/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2CCC3C4CCC(=O)[C@]4(CCC3[C@]2(C[C@@H]1[N+]5(CCCC5)C)C)C
InChI: InChI=1S/C26H42NO3/c1-17(28)30-23-15-18-7-8-19-20-9-10-24(29)25(20,2)12-11-21(19)26(18,3)16-22(23)27(4)13-5-6-14-27/h18-23H,5-16H2,1-4H3/q+1/t18-,19?,20?,21?,22-,23-,25-,26-/m0/s1
SMILES: C[C@H]1CC[C@@]2([C@@]3(C[C@]4([C@@]5([C@]([C@H]([C@@]3([C@]5(C2([C@@H]1O)O4)O)O)OC(=O)C6=CN=CC=C6)(C(C)C)O)C)O)C)O
InChI: InChI=1S/C26H35NO9/c1-13(2)23(32)18(35-17(29)15-7-6-10-27-11-15)24(33)19(4)12-22(31)20(23,5)26(24,34)25(36-22)16(28)14(3)8-9-21(19,25)30/h6-7,10-11,13-14,16,18,28,30-34H,8-9,12H2,1-5H3/t14-,16+,18+,19-,20+,21-,22-,23+,24+,25?,26+/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)OCC=C)CN(C)CC=C
InChI: InChI=1S/C27H34N2O5/c1-5-14-29(4)17-24-19(3)25(21-12-10-20(18-30)11-13-21)34-26(33-24)22-8-7-9-23(16-22)28-27(31)32-15-6-2/h5-13,16,19,24-26,30H,1-2,14-15,17-18H2,3-4H3,(H,28,31)/t19-,24+,25+,26+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@@H]([C@@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CN=CC=C3)O
InChI: InChI=1S/C18H16F3N3O5/c1-29-12-7-9(4-5-11(12)25)14-13(15(26)10-3-2-6-22-8-10)17(28,18(19,20)21)24-16(27)23-14/h2-8,13-14,25,28H,1H3,(H2,23,24,27)/t13-,14-,17+/m1/s1
SMILES: CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CCOC3=CC=C(C=C3)C[C@@H]4CN(C[C@@H]4C(=O)O)C(=O)OCC(C)C
InChI: InChI=1S/C29H33ClN2O6/c1-18(2)17-37-29(35)32-15-22(25(16-32)28(33)34)13-20-7-9-24(10-8-20)36-12-11-26-19(3)38-27(31-26)21-5-4-6-23(30)14-21/h4-10,14,18,22,25H,11-13,15-17H2,1-3H3,(H,33,34)/t22-,25+/m1/s1
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C(N=CN=C65)NC(=O)OCCC#N
InChI: InChI=1S/C44H51N8O8P/c1-30(2)52(31(3)4)61(58-25-11-23-46)60-37-26-39(51-29-49-40-41(47-28-48-42(40)51)50-43(53)56-24-10-22-45)59-38(37)27-57-44(32-12-8-7-9-13-32,33-14-18-35(54-5)19-15-33)34-16-20-36(55-6)21-17-34/h7-9,12-21,28-31,37-39H,10-11,24-27H2,1-6H3,(H,47,48,50,53)/t37-,38+,39+,61?/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)OC)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(20)9-11(13)3-5-15(14)16(19)10-17(22-2)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17+,18+,19+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)NC3=CC(=CC(=C3)C)C)O
InChI: InChI=1S/C22H25N3O4/c1-5-29-18-11-15(6-7-17(18)26)20-19(14(4)23-22(28)25-20)21(27)24-16-9-12(2)8-13(3)10-16/h6-11,19-20,26H,4-5H2,1-3H3,(H,24,27)(H2,23,25,28)/t19-,20+/m0/s1
SMILES: CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C4=CC5=C(N4)C=CC(=C5)Cl)C(=O)N(C)C
InChI: InChI=1S/C26H31ClN6O3S/c1-32(2)26(36)14-4-6-18(29-23(34)21-12-15-10-16(27)5-7-17(15)28-21)20(11-14)30-24(35)25-31-19-8-9-33(3)13-22(19)37-25/h5,7,10,12,14,18,20,28H,4,6,8-9,11,13H2,1-3H3,(H,29,34)(H,30,35)/t14-,18-,20+/m0/s1
SMILES: CC1=C[C@]2([C@@H](CC1=O)OC(CC2=O)(C)C)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H20O5S/c1-12-10-18(24(21,22)13-7-5-4-6-8-13)15(20)11-17(2,3)23-16(18)9-14(12)19/h4-8,10,16H,9,11H2,1-3H3/t16-,18+/m1/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C(=CC=C5)F)O)Cl)C6=CC=C(C=C6)F)Cl
InChI: InChI=1S/C28H22Cl2F2N2O5/c1-2-33-23(36)16-11-10-15-18(20(16)24(33)37)12-27(29)25(38)34(14-8-6-13(31)7-9-14)26(39)28(27,30)21(15)17-4-3-5-19(32)22(17)35/h3-10,16,18,20-21,35H,2,11-12H2,1H3/t16-,18+,20-,21+,27+,28-/m0/s1
SMILES: CC[C@@H]1[C@H](C[C@H]([C@H]2C[C@@H](O1)[C@H](O2)C/C=C\C#C)O)Br
InChI: InChI=1S/C15H21BrO3/c1-3-5-6-7-13-15-9-14(19-13)11(17)8-10(16)12(4-2)18-15/h1,5-6,10-15,17H,4,7-9H2,2H3/b6-5-/t10-,11+,12+,13+,14+,15+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)[NH2+]C[C@@H](COC(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI: InChI=1S/C24H33NO2/c1-18-10-9-15-23(19(18)2)25-16-22(26)17-27-24(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,18-19,22-26H,9-10,15-17H2,1-2H3/p+1/t18-,19+,22-,23+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)OC(F)(F)F)O)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)CC6=CC=CC=C6
InChI: InChI=1S/C29H22BrCl2F3N2O6/c30-13-37-25(41)27(31)11-19-16(7-8-17-21(19)24(40)36(23(17)39)12-14-4-2-1-3-5-14)22(28(27,32)26(37)42)18-10-15(6-9-20(18)38)43-29(33,34)35/h1-7,9-10,17,19,21-22,38H,8,11-13H2/t17-,19+,21-,22+,27+,28-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
InChI: InChI=1S/C22H27N3O8S/c26-19(14-33-20(27)13-25-21(28)17-3-1-2-4-18(17)22(25)29)23-15-5-7-16(8-6-15)34(30,31)24-9-11-32-12-10-24/h5-8,17-18H,1-4,9-14H2,(H,23,26)/t17-,18+
SMILES: CCCCNC(=O)[C@@H]1[C@H]([C@H](CN1C(=O)C2=COC=C2)O)O
InChI: InChI=1S/C14H20N2O5/c1-2-3-5-15-13(19)11-12(18)10(17)7-16(11)14(20)9-4-6-21-8-9/h4,6,8,10-12,17-18H,2-3,5,7H2,1H3,(H,15,19)/t10-,11-,12-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C
InChI: InChI=1S/C19H28N4O3S2/c1-12-5-4-6-16(13(12)2)20-19(27)22-21-18(24)15-7-8-17-14(11-15)9-10-23(17)28(3,25)26/h7-8,11-13,16H,4-6,9-10H2,1-3H3,(H,21,24)(H2,20,22,27)/t12-,13+,16+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O
InChI: InChI=1S/C24H27NO4/c1-24(2,3)16-8-12-18(13-9-16)29-19-14-10-17(11-15-19)25-22(26)20-6-4-5-7-21(20)23(27)28/h4-5,8-15,20-21H,6-7H2,1-3H3,(H,25,26)(H,27,28)/t20-,21-/m0/s1