EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1[C@H](OC(O[C@H]1[C@H](C=C)OC)(C)C)C2CCCCC2
InChI: InChI=1S/C17H30O3/c1-6-14(18-5)16-12(2)15(19-17(3,4)20-16)13-10-8-7-9-11-13/h6,12-16H,1,7-11H2,2-5H3/t12-,14+,15+,16-/m1/s1
SMILES: C1[C@H]([C@@H]([C@@H]2[C@H]1OC(=O)C2)/C=C/[C@H](CCC3=CC(=CC=C3)Br)O)O
InChI: InChI=1S/C18H21BrO4/c19-12-3-1-2-11(8-12)4-5-13(20)6-7-14-15-9-18(22)23-17(15)10-16(14)21/h1-3,6-8,13-17,20-21H,4-5,9-10H2/b7-6+/t13-,14+,15+,16+,17-/m0/s1
SMILES: COC(=O)C1=C2[C@](C[C@H](O2)C=C)([C@H](C1)C=C)C(=O)OC
InChI: InChI=1S/C15H18O5/c1-5-9-7-11(13(16)18-3)12-15(9,14(17)19-4)8-10(6-2)20-12/h5-6,9-10H,1-2,7-8H2,3-4H3/t9-,10+,15-/m0/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C)O
InChI: InChI=1S/C28H19Cl2F5N2O5/c1-9-4-3-5-12(22(9)38)15-10-6-7-11-14(24(40)36(2)23(11)39)13(10)8-27(29)25(41)37(26(42)28(15,27)30)21-19(34)17(32)16(31)18(33)20(21)35/h3-6,11,13-15,38H,7-8H2,1-2H3/t11-,13+,14-,15+,27+,28-/m0/s1
SMILES: CCOC(=O)CNC(=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)CN5CCCCC5
InChI: InChI=1S/C36H45N3O6/c1-3-43-33(41)22-38-36(42)37-21-30-9-5-6-10-31(30)27-15-17-29(18-16-27)35-44-32(23-39-19-7-4-8-20-39)25(2)34(45-35)28-13-11-26(24-40)12-14-28/h5-6,9-18,25,32,34-35,40H,3-4,7-8,19-24H2,1-2H3,(H2,37,38,42)/t25-,32+,34+,35+/m0/s1
SMILES: CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)N3CC[C@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C19H23FN4O/c1-13-21-18(22-24(13)17-8-6-16(20)7-9-17)19(25)23-11-10-14-4-2-3-5-15(14)12-23/h6-9,14-15H,2-5,10-12H2,1H3/t14-,15-/m1/s1
SMILES: CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)O)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O
InChI: InChI=1S/C37H52O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-25(49-37-32(42)30(40)31(41)33(50-37)36(46)47-3)21-27(39)29(23)35(45)48-24-18-22(2)28(34(43)44)26(38)20-24/h18-21,30-33,37-42H,4-17H2,1-3H3,(H,43,44)/t30-,31-,32+,33-,37+/m0/s1
SMILES: CC1=CC=C(O1)/C=C\2/C3=C(C=CC(=C3)S(=O)(=O)N(C[C@H]([C@H](CC4=CC=CC=C4)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6)O)CC(C)C)NC2=O
InChI: InChI=1S/C35H41N3O9S/c1-21(2)18-38(48(42,43)25-11-12-29-27(17-25)28(33(40)36-29)16-24-10-9-22(3)46-24)19-31(39)30(15-23-7-5-4-6-8-23)37-35(41)47-32-20-45-34-26(32)13-14-44-34/h4-12,16-17,21,26,30-32,34,39H,13-15,18-20H2,1-3H3,(H,36,40)(H,37,41)/b28-16-/t26-,30-,31+,32-,34+/m0/s1
SMILES: C1CN2[C@@H]([C@@H]3[C@H](N2C1)C(=O)N(C3=O)C4=C(C=CC=C4Cl)Cl)C5=CC=C(C=C5)F
InChI: InChI=1S/C20H16Cl2FN3O2/c21-13-3-1-4-14(22)17(13)26-19(27)15-16(11-5-7-12(23)8-6-11)24-9-2-10-25(24)18(15)20(26)28/h1,3-8,15-16,18H,2,9-10H2/t15-,16-,18+/m1/s1
SMILES: C[C@H]1C[C@]23CCC(=C[C@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O
InChI: InChI=1S/C41H61NO9/c1-24-8-6-10-32-38(20-25(2)27(4)23-42-32)15-11-28(36(44)45)19-31(38)34-35-33(43)26(3)21-40(49-34,50-35)22-30-9-7-13-39(47-30)16-17-41(51-39)37(5,46)14-12-29(18-24)48-41/h19,25-27,29-31,33-35,43,46H,1,6-18,20-23H2,2-5H3,(H,44,45)/t25-,26+,27-,29-,30+,31-,33+,34-,35+,37+,38+,39+,40+,41+/m0/s1
SMILES: CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](CN1CCCCCCCC(C)C)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC
InChI: InChI=1S/C32H57NO8/c1-7-16-27(34)38-23-25-31(40-29(36)18-9-3)32(41-30(37)19-10-4)26(39-28(35)17-8-2)22-33(25)21-15-13-11-12-14-20-24(5)6/h24-26,31-32H,7-23H2,1-6H3/t25-,26+,31-,32-/m1/s1
SMILES: C[C@H]1C[C@@]2(C[C@@H]([C@H]3[C@@H](O2)CC(=O)O3)C)O[C@@H]4[C@H]1O[C@@H](C4)[C@H](C[C@H](CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C53H88O8Si3/c1-34(2)62(35(3)4,36(5)6)60-42(33-55-64(52(15,16)17,43-24-20-18-21-25-43)44-26-22-19-23-27-44)28-46(61-63(37(7)8,38(9)10)39(11)12)45-29-47-50(56-45)40(13)31-53(58-47)32-41(14)51-48(59-53)30-49(54)57-51/h18-27,34-42,45-48,50-51H,28-33H2,1-17H3/t40-,41-,42+,45-,46-,47-,48-,50-,51-,53+/m0/s1
SMILES: C[C@H]1CC[C@H](O[C@@H]1[C@@H](C)[C@@H]2[C@H](O2)CO)[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C23H46O4Si/c1-14(2)28(15(3)4,16(5)6)25-13-18(8)20-11-10-17(7)22(26-20)19(9)23-21(12-24)27-23/h14-24H,10-13H2,1-9H3/t17-,18+,19+,20-,21+,22-,23+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCC[NH+]4CCOCC4)N=C(S3)C5=CC=CC=C5)(C)CO)O
InChI: InChI=1S/C28H39N3O4S/c1-27-9-8-23(33)28(2,18-32)22(27)17-21-25(30-26(36-21)19-6-4-3-5-7-19)20(27)16-24(34)29-10-11-31-12-14-35-15-13-31/h3-7,20,22-23,32-33H,8-18H2,1-2H3,(H,29,34)/p+1/t20-,22+,23-,27+,28+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2N(C1=O)C(=CS2)C(=O)OCC=C)OC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C18H18N2O5S/c1-3-9-24-17(22)13-10-26-16-14(15(21)20(13)16)11(2)25-18(23)19-12-7-5-4-6-8-12/h3-8,10-11,14,16H,1,9H2,2H3,(H,19,23)/t11-,14+,16+/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OCC(=O)N)NC3=NC=CC(=N3)C4=CC=CO4
InChI: InChI=1S/C16H18N4O5/c17-13(21)8-23-12-7-25-14-10(6-24-15(12)14)20-16-18-4-3-9(19-16)11-2-1-5-22-11/h1-5,10,12,14-15H,6-8H2,(H2,17,21)(H,18,19,20)/t10-,12+,14+,15+/m0/s1
SMILES: C[C@H]1[C@@H](O[Si](O[C@H]1[C@@H](C)COCC2=CC=CC=C2)(C(C)(C)C)C(C)(C)C)[C@@H](C)CC[C@@H]([C@H](C)[C@H]([C@@H](C)C=C)O)OCC3=CC=C(C=C3)OC
InChI: InChI=1S/C42H68O6Si/c1-14-29(2)38(43)32(5)37(46-28-35-21-23-36(44-13)24-22-35)25-20-30(3)39-33(6)40(31(4)26-45-27-34-18-16-15-17-19-34)48-49(47-39,41(7,8)9)42(10,11)12/h14-19,21-24,29-33,37-40,43H,1,20,25-28H2,2-13H3/t29-,30-,31-,32-,33-,37-,38-,39-,40-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CN2C3=CC=CC=C3C(=O)C2=O
InChI: InChI=1S/C20H24N2O5/c1-12-6-5-8-15(13(12)2)21-17(23)11-27-18(24)10-22-16-9-4-3-7-14(16)19(25)20(22)26/h3-4,7,9,12-13,15H,5-6,8,10-11H2,1-2H3,(H,21,23)/t12-,13-,15+/m1/s1
SMILES: COC1=CC=C(C=C1)O[C@@H]2[C@H](N(C2=O)CC3=CC=C(C=C3)F)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C25H24FNO5/c1-29-19-9-11-20(12-10-19)32-24-23(17-6-13-21(30-2)22(14-17)31-3)27(25(24)28)15-16-4-7-18(26)8-5-16/h4-14,23-24H,15H2,1-3H3/t23-,24-/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4CCCN4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C25H26N2O3/c1-3-16-8-12-18(13-9-16)27-24(29)20-19-5-4-14-26(19)22(21(20)25(27)30)23(28)17-10-6-15(2)7-11-17/h6-13,19-22H,3-5,14H2,1-2H3/t19-,20+,21-,22+/m1/s1
SMILES: C/C/1=C\[C@@H](CC(=C)[C@H]([C@@H]([C@@H](CC1)C(C)C)O)OO)O
InChI: InChI=1S/C15H26O4/c1-9(2)13-6-5-10(3)7-12(16)8-11(4)15(19-18)14(13)17/h7,9,12-18H,4-6,8H2,1-3H3/b10-7+/t12-,13-,14+,15+/m0/s1
SMILES: C1[C@H]([C@@H]1[C@]2(C(=O)N(C(=O)N2)S(=O)(=O)C3=CC=CC=C3)CC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O
InChI: InChI=1S/C27H24N2O6S/c30-24(31)21-16-23(21)27(17-22(18-10-4-1-5-11-18)19-12-6-2-7-13-19)25(32)29(26(33)28-27)36(34,35)20-14-8-3-9-15-20/h1-15,21-23H,16-17H2,(H,28,33)(H,30,31)/t21-,23-,27+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN3C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI: InChI=1S/C33H35N3O7/c1-21-18-36(31(39)34-29(21)38)30-27-28(37)32(43-30,19-35(27)2)20-42-33(22-8-6-5-7-9-22,23-10-14-25(40-3)15-11-23)24-12-16-26(41-4)17-13-24/h5-18,27-28,30,37H,19-20H2,1-4H3,(H,34,38,39)/t27-,28+,30-,32-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C(=C[C@H](O1)OC)C(=C)O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C47H68O8Si3/c1-34(55-57(14,15)46(5,6)7)38-31-41(50-11)53-40(33-51-56(12,13)45(2,3)4)42(38)43(54-44(49)35-25-19-16-20-26-35)39(48)32-52-58(47(8,9)10,36-27-21-17-22-28-36)37-29-23-18-24-30-37/h16-31,40-43H,1,32-33H2,2-15H3/t40-,41+,42+,43-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1C[C@@H]([C@@H]2[C@@]1(CC[C@@H]3C2=CCOO3)C)OCOCCOC
InChI: InChI=1S/C24H42O5/c1-17(2)7-6-8-18(3)20-15-22(27-16-26-14-13-25-5)23-19-10-12-28-29-21(19)9-11-24(20,23)4/h10,17-18,20-23H,6-9,11-16H2,1-5H3/t18-,20-,21-,22+,23-,24-/m1/s1
SMILES: CCOC([C@@H]1[C@H](OC(O1)(C)C)C[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC
InChI: InChI=1S/C45H56O9/c1-5-47-44(48-6-2)42-38(53-45(3,4)54-42)27-37-40(49-29-34-21-13-8-14-22-34)43(51-31-36-25-17-10-18-26-36)41(50-30-35-23-15-9-16-24-35)39(52-37)32-46-28-33-19-11-7-12-20-33/h7-26,37-44H,5-6,27-32H2,1-4H3/t37-,38-,39-,40-,41-,42+,43-/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC=C(O8)CO)C(=O)N(C7=O)C9=CC(=C(C=C9)C(=O)O)O)C
InChI: InChI=1S/C40H33ClN4O9S/c1-17-24-12-18(41)4-11-30(24)55-34(17)27-15-31(43(3)42-27)45-36(49)26-14-25-21(33(40(26,2)39(45)53)29-10-6-20(16-46)54-29)8-9-23-32(25)37(50)44(35(23)48)19-5-7-22(38(51)52)28(47)13-19/h4-8,10-13,15,23,25-26,32-33,46-47H,9,14,16H2,1-3H3,(H,51,52)/t23-,25+,26-,32-,33+,40+/m0/s1
SMILES: C1=CC=C(C=C1)C2O[C@H]3[C@H](O[C@H]4[C@@H]([C@H]3O2)OC(O4)C5=CC=CC=C5)CO
InChI: InChI=1S/C20H20O6/c21-11-14-15-16(24-18(23-15)12-7-3-1-4-8-12)17-20(22-14)26-19(25-17)13-9-5-2-6-10-13/h1-10,14-21H,11H2/t14-,15+,16+,17-,18?,19?,20-/m1/s1
SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC=CC4)C)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI: InChI=1S/C25H31F7O3/c1-13(35-20(34)23(26,27)24(28,29)25(30,31)32)15-7-8-16-14-12-19(33)18-6-4-5-10-21(18,2)17(14)9-11-22(15,16)3/h4-5,13-18H,6-12H2,1-3H3/t13-,14+,15-,16+,17+,18-,21-,22-/m1/s1
SMILES: C[C@H]1CCCN1[C@@H](C)COC2=CC=C(C=C2)[C@H]3[C@H](SC4=C(O3)C=CC(=C4)O)C5=CC(=CC=C5)O
InChI: InChI=1S/C28H31NO4S/c1-18-5-4-14-29(18)19(2)17-32-24-11-8-20(9-12-24)27-28(21-6-3-7-22(30)15-21)34-26-16-23(31)10-13-25(26)33-27/h3,6-13,15-16,18-19,27-28,30-31H,4-5,14,17H2,1-2H3/t18-,19-,27-,28+/m0/s1
SMILES: CCCCCCC[C@@H]1[C@@H](C(=O)O[C@H](C(=O)N[C@H]([C@@H](CC(=O)O1)O)CC2=CC=CC=C2)C(C)C)C
InChI: InChI=1S/C27H41NO6/c1-5-6-7-8-12-15-23-19(4)27(32)34-25(18(2)3)26(31)28-21(22(29)17-24(30)33-23)16-20-13-10-9-11-14-20/h9-11,13-14,18-19,21-23,25,29H,5-8,12,15-17H2,1-4H3,(H,28,31)/t19-,21-,22+,23+,25-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CCN2C(=O)COC3=CC=CC=C32
InChI: InChI=1S/C21H28N2O5/c1-14-6-5-7-16(15(14)2)22-19(24)12-28-21(26)10-11-23-17-8-3-4-9-18(17)27-13-20(23)25/h3-4,8-9,14-16H,5-7,10-13H2,1-2H3,(H,22,24)/t14-,15+,16-/m0/s1
SMILES: CC1=CC[C@@H]2[C@@]([C@H]1C[C@@H](C3=CC(OC3=O)O)O)(CCCC2(C)C)C
InChI: InChI=1S/C20H30O4/c1-12-6-7-16-19(2,3)8-5-9-20(16,4)14(12)11-15(21)13-10-17(22)24-18(13)23/h6,10,14-17,21-22H,5,7-9,11H2,1-4H3/t14-,15-,16-,17?,20+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)CNC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C24H35N3O7Si/c1-24(2,3)35(4,5)34-20-17(13-25-23(31)32-15-16-9-7-6-8-10-16)18(14-28)33-21(20)27-12-11-19(29)26-22(27)30/h6-12,17-18,20-21,28H,13-15H2,1-5H3,(H,25,31)(H,26,29,30)/t17-,18-,20-,21-/m1/s1
SMILES: C1COCCN1C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)OC5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C19H22N6O7/c26-18(24-3-5-27-6-4-24)20-12-8-28-17-13(9-29-16(12)17)25-19(21-22-23-25)32-11-1-2-14-15(7-11)31-10-30-14/h1-2,7,12-13,16-17H,3-6,8-10H2,(H,20,26)/t12-,13-,16+,17+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C=C[C@@H]([C@@H]2CO[Si](C)(C)C(C)(C)C)OC(=O)C3=CC=CC=C3)OC
InChI: InChI=1S/C27H37NO6SSi/c1-20-13-15-22(16-14-20)35(30,31)28-23(19-33-36(6,7)27(2,3)4)24(17-18-25(28)32-5)34-26(29)21-11-9-8-10-12-21/h8-18,23-25H,19H2,1-7H3/t23-,24-,25+/m0/s1
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O
InChI: InChI=1S/C21H22ClNO5S/c1-2-28-21(27)17-16(12-7-9-13(22)10-8-12)11-29-19(17)23-18(24)14-5-3-4-6-15(14)20(25)26/h7-11,14-15H,2-6H2,1H3,(H,23,24)(H,25,26)/t14-,15+/m1/s1
SMILES: CC1=CC2[C@@H]([C@H](OC3=C2C4=C(C(=C3)O)C(=O)C(=C(O4)C5=C(C=C(C=C5)O)O)CC=C(C)C)C6=C(C=C(C7=C6OC(=C(C7=O)CC=C(C)C)C8=C(C=C(C=C8)O)O)O)O)C(C1)(C)C
InChI: InChI=1S/C50H48O12/c1-22(2)8-12-29-43(58)39-34(55)19-35(56)41(48(39)62-46(29)28-15-11-26(52)18-33(28)54)49-42-31(16-24(5)21-50(42,6)7)38-37(60-49)20-36(57)40-44(59)30(13-9-23(3)4)45(61-47(38)40)27-14-10-25(51)17-32(27)53/h8-11,14-20,31,42,49,51-57H,12-13,21H2,1-7H3/t31?,42-,49+/m0/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CCC3C1CC[C@@]25CCCS5=O)C6=CC=C(C=C6)N7CCCC7
InChI: InChI=1S/C31H39NO2S/c1-30-20-27(21-5-8-23(9-6-21)32-16-2-3-17-32)29-25-12-10-24(33)19-22(25)7-11-26(29)28(30)13-15-31(30)14-4-18-35(31)34/h5-6,8-9,19,26-28H,2-4,7,10-18,20H2,1H3/t26?,27-,28?,30+,31+,35?/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)/C=C\[C@H](COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)OCOC)OCOC)N=[N+]=[N-]
InChI: InChI=1S/C38H51N3O8Si/c1-37(2,3)50(6,7)49-36-33(40-41-39)35(46-27-44-5)34(45-26-43-4)32(48-36)24-23-31(42)25-47-38(28-17-11-8-12-18-28,29-19-13-9-14-20-29)30-21-15-10-16-22-30/h8-24,31-36,42H,25-27H2,1-7H3/b24-23-/t31-,32+,33-,34+,35+,36+/m1/s1
SMILES: CC1C(=O)OC2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]([C@]1(C)O)(C)O
InChI: InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9?,11?,12-,15-,16-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C(=O)N)C5=C(C(=CC(=C5)Br)OC)O
InChI: InChI=1S/C25H21BrN2O7/c1-9-5-16(29)14-8-13-11(3-4-12-19(13)24(33)28(23(12)32)25(27)34)18(20(14)21(9)30)15-6-10(26)7-17(35-2)22(15)31/h3,5-7,12-13,18-19,31H,4,8H2,1-2H3,(H2,27,34)/t12-,13+,18+,19-/m0/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C=CC6=CC(=C(C(=C6)OC)O)OC)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F
InChI: InChI=1S/C43H35Cl2F4N5O7/c1-52(37-31(45)16-17-34(50-37)43(47,48)49)54-38(56)27-14-13-26-28(35(27)40(54)58)20-30-39(57)53(51-25-11-9-24(46)10-12-25)41(59)42(30,22-5-7-23(44)8-6-22)29(26)15-4-21-18-32(60-2)36(55)33(19-21)61-3/h4-13,15-19,27-30,35,51,55H,14,20H2,1-3H3/t27-,28+,29-,30-,35-,42-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H]([NH2+][C@@H](CC1=N)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H22N2O2/c1-2-24-20(23)18-16(21)13-17(14-9-5-3-6-10-14)22-19(18)15-11-7-4-8-12-15/h3-12,17-19,21-22H,2,13H2,1H3/p+1/t17-,18+,19+/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]2O[C@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4[C@H]([C@@H]([C@H](OC4O)CO)O)O)CO)O)O)CO)O)O)O)O)O)O
InChI: InChI=1S/C24H42O21/c25-1-5-10(30)14(34)18(21(38)39-5)43-23-20(16(36)12(32)7(3-27)41-23)45-24-19(15(35)11(31)8(4-28)42-24)44-22-17(37)13(33)9(29)6(2-26)40-22/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@@H](CC=C)C(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)OC(=O)NC2=CC=CC=C2)OC(=O)CCC=C
InChI: InChI=1S/C25H33NO9/c1-5-7-14-19(28)33-21-20(35-25(30)26-17-12-9-8-10-13-17)18(15-27)32-24(31-4)22(21)34-23(29)16(3)11-6-2/h5-6,8-10,12-13,16,18,20-22,24,27H,1-2,7,11,14-15H2,3-4H3,(H,26,30)/t16-,18+,20+,21-,22+,24-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(O2)COC3=CC4=C(CCCC4)C=C3
InChI: InChI=1S/C22H29N3O3S/c1-15-6-2-5-9-19(15)23-20(26)14-29-22-25-24-21(28-22)13-27-18-11-10-16-7-3-4-8-17(16)12-18/h10-12,15,19H,2-9,13-14H2,1H3,(H,23,26)/t15-,19+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](C[C@@H](O1)OCCCCO[C@H]2C[C@@H]([C@H]([C@@H](O2)C)OCC=C)N=[N+]=[N-])N=[N+]=[N-])OCC=C
InChI: InChI=1S/C22H36N6O6/c1-5-9-31-21-15(3)33-19(13-17(21)25-27-23)29-11-7-8-12-30-20-14-18(26-28-24)22(16(4)34-20)32-10-6-2/h5-6,15-22H,1-2,7-14H2,3-4H3/t15-,16-,17-,18-,19+,20+,21-,22-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)C[C@@]([C@H]2C(=O)OCC3=CC=CC=C3)(C)O)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C30H30O6/c1-20-13-15-23(16-14-20)25-26(28(32)35-18-21-9-5-3-6-10-21)24(31)17-30(2,34)27(25)29(33)36-19-22-11-7-4-8-12-22/h3-16,25-27,34H,17-19H2,1-2H3/t25-,26-,27-,30-/m1/s1
SMILES: C[C@@H]1CC[C@H]2C(=CCC[C@]2(C)C(=O)OC)[C@@]1(C)CCC(=O)C
InChI: InChI=1S/C19H30O3/c1-13-8-9-16-15(18(13,3)12-10-14(2)20)7-6-11-19(16,4)17(21)22-5/h7,13,16H,6,8-12H2,1-5H3/t13-,16+,18+,19+/m1/s1
SMILES: CC(=CCC/C(=C/CC[C@@]1([C@H](O1)CC/C=C(\C)/CSC2=CC=CC=C2)C)/C)C
InChI: InChI=1S/C26H38OS/c1-21(2)12-9-13-22(3)15-11-19-26(5)25(27-26)18-10-14-23(4)20-28-24-16-7-6-8-17-24/h6-8,12,14-17,25H,9-11,13,18-20H2,1-5H3/b22-15+,23-14+/t25-,26-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CI)O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C16H21IO5/c1-16(2)21-14-13(19-9-10-6-4-3-5-7-10)12(11(18)8-17)20-15(14)22-16/h3-7,11-15,18H,8-9H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1
SMILES: C[C@H](CCCC(C(F)(F)F)(C(F)(F)F)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)C)OC(=O)C)C)C
InChI: InChI=1S/C31H42F6O5/c1-17(7-6-13-29(40,30(32,33)34)31(35,36)37)23-10-11-24-22-9-8-20-15-21(41-18(2)38)16-26(42-19(3)39)28(20,5)25(22)12-14-27(23,24)4/h8-9,17,21,23-26,40H,6-7,10-16H2,1-5H3/t17-,21-,23-,24+,25+,26+,27-,28+/m1/s1
SMILES: COC1=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)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)[N+](=O)[O-])Cl)O
InChI: InChI=1S/C39H29Cl2N3O8/c1-52-31-17-20(16-30(41)34(31)45)33-26-14-15-27-32(37(48)42(35(27)46)23-10-12-24(13-11-23)44(50)51)28(26)19-29-36(47)43(25-9-5-8-22(40)18-25)38(49)39(29,33)21-6-3-2-4-7-21/h2-14,16-18,27-29,32-33,45H,15,19H2,1H3/t27-,28+,29-,32-,33-,39+/m0/s1
SMILES: CN1C(=O)O[C@H]([C@@]1(C2=CC(=C(C=C2)OC)OC)O)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C20H23NO7/c1-21-19(22)28-18(12-6-8-14(24-2)16(10-12)26-4)20(21,23)13-7-9-15(25-3)17(11-13)27-5/h6-11,18,23H,1-5H3/t18-,20+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CCCC2=CC3=COC=C3C[C@@]12O
InChI: InChI=1S/C18H28O3Si/c1-17(2,3)22(4,5)21-16-8-6-7-15-9-13-11-20-12-14(13)10-18(15,16)19/h9,11-12,16,19H,6-8,10H2,1-5H3/t16-,18+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCOC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC4=C5C=CC(=CC5=CC(=N4)C6=CC=C(C=C6)OC)N(C)C)C(=O)NS(=O)(=O)C7CC7
InChI: InChI=1S/C43H54N6O10S/c1-42(2,3)59-41(53)45-34-10-8-20-57-19-7-9-28-24-43(28,40(52)47-60(54,55)32-16-17-32)46-37(50)36-23-31(25-49(36)39(34)51)58-38-33-18-13-29(48(4)5)21-27(33)22-35(44-38)26-11-14-30(56-6)15-12-26/h7,9,11-15,18,21-22,28,31-32,34,36H,8,10,16-17,19-20,23-25H2,1-6H3,(H,45,53)(H,46,50)(H,47,52)/b9-7-/t28-,31-,34+,36+,43-/m1/s1
SMILES: B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)C[Si](C)(C)C
InChI: InChI=1S/C14H27BO2Si/c1-13(2)10-7-11(13)14(3)12(8-10)16-15(17-14)9-18(4,5)6/h10-12H,7-9H2,1-6H3/t10-,11-,12+,14-/m0/s1
SMILES: CC(=O)N1C=C[C@H](C(=C1)C2N([C@H]([C@@H](N2C)C3=CC=CC=C3)C4=CC=CC=C4)C)C(C)(C)C
InChI: InChI=1S/C28H35N3O/c1-20(32)31-18-17-24(28(2,3)4)23(19-31)27-29(5)25(21-13-9-7-10-14-21)26(30(27)6)22-15-11-8-12-16-22/h7-19,24-27H,1-6H3/t24-,25+,26+/m1/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]4CCS(=O)(=O)C4)O
InChI: InChI=1S/C29H45N3O5S/c1-29(2,3)31-28(35)25-16-21-11-7-8-12-22(21)17-32(25)18-26(33)24(15-20-9-5-4-6-10-20)30-27(34)23-13-14-38(36,37)19-23/h4-6,9-10,21-26,33H,7-8,11-19H2,1-3H3,(H,30,34)(H,31,35)/t21-,22+,23-,24-,25-,26+/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)C
InChI: InChI=1S/C23H23NO4/c1-14-3-10-18(11-4-14)28-23(27)16-6-8-17(9-7-16)24-21(25)19-12-5-15(2)13-20(19)22(24)26/h3-4,6-11,15,19-20H,5,12-13H2,1-2H3/t15-,19-,20-/m0/s1
SMILES: C[C@H](COC(=O)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C(C(=O)CC[C@]34C)N)C
InChI: InChI=1S/C24H37NO3/c1-14(13-28-15(2)26)17-7-8-18-16-5-6-20-22(25)21(27)10-12-24(20,4)19(16)9-11-23(17,18)3/h14,16-19H,5-13,25H2,1-4H3/t14-,16+,17-,18+,19+,23-,24-/m1/s1
SMILES: C1[C@@H]2[C@@H]3[C@@H]4[C@H]1[C@@H]5[C@@H]2C(=O)[C@H]3[C@@H]4C5=O
InChI: InChI=1S/C11H10O2/c12-10-6-2-1-3-5-4(2)8(10)9(5)11(13)7(3)6/h2-9H,1H2/t2-,3+,4-,5+,6-,7-,8-,9-/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=COC5=C(C4)C=C(C=C5)O)C6=CC=C(C=C6)Cl)NC7=CC=C(C=C7)F)[C@@H]8[C@H]1C(=O)N(C8=O)C9=CC=CC(=C9)C(=O)O
InChI: InChI=1S/C42H31ClFN3O8/c43-25-6-4-24(5-7-25)42-33(38(50)47(41(42)54)45-27-10-8-26(44)9-11-27)19-32-30(36(42)23-16-22-18-29(48)12-15-34(22)55-20-23)13-14-31-35(32)39(51)46(37(31)49)28-3-1-2-21(17-28)40(52)53/h1-13,15,17-18,20,31-33,35-36,45,48H,14,16,19H2,(H,52,53)/t31-,32+,33-,35-,36-,42+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=C(C=C7)O)C(=O)N(C5=O)C
InChI: InChI=1S/C34H31N3O5/c1-19-8-12-22(13-9-19)35-37-31(40)27-18-26-24(16-17-25-28(26)32(41)36(2)30(25)39)29(20-10-14-23(38)15-11-20)34(27,33(37)42)21-6-4-3-5-7-21/h3-16,25-29,35,38H,17-18H2,1-2H3/t25-,26+,27-,28-,29-,34+/m0/s1
SMILES: C[C@@H]1[C@H]2C3=C(C=CC(=C3)[N+](=O)[O-])O[C@@]1(N(C(=S)N2)C4=CC=CC=C4C)C
InChI: InChI=1S/C19H19N3O3S/c1-11-6-4-5-7-15(11)21-18(26)20-17-12(2)19(21,3)25-16-9-8-13(22(23)24)10-14(16)17/h4-10,12,17H,1-3H3,(H,20,26)/t12-,17+,19+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H](CC2=NC(=C([C@H](C2C1=O)C3=C(C(=CC=C3)OC)OC)C(=O)OCC)C)C4=CC(=CC=C4)OC
InChI: InChI=1S/C31H35NO8/c1-7-39-30(34)24-17(3)32-22-16-21(18-11-9-12-19(15-18)36-4)26(31(35)40-8-2)28(33)27(22)25(24)20-13-10-14-23(37-5)29(20)38-6/h9-15,21,25-27H,7-8,16H2,1-6H3/t21-,25-,26+,27?/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP3OP(=O)(C(P(=O)(O3)O)(Cl)Cl)O)N=[N+]=[N-]
InChI: InChI=1S/C11H14Cl2N5O10P3/c1-5-3-18(10(20)15-9(5)19)8-2-6(16-17-14)7(26-8)4-25-29-27-30(21,22)11(12,13)31(23,24)28-29/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,15,19,20)/t6-,7+,8+/m0/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=CC=C6OCCO)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F
InChI: InChI=1S/C40H39ClFN3O6/c41-24-12-10-23(11-13-24)40-32(37(48)45(39(40)50)43-26-16-14-25(42)15-17-26)22-31-28(35(40)29-8-4-5-9-33(29)51-21-20-46)18-19-30-34(31)38(49)44(36(30)47)27-6-2-1-3-7-27/h4-5,8-18,27,30-32,34-35,43,46H,1-3,6-7,19-22H2/t30-,31+,32-,34-,35+,40+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C
InChI: InChI=1S/C19H24N4O3/c1-12-7-3-5-9-15(12)21-19(26)22-17(24)11-23-13(2)20-16-10-6-4-8-14(16)18(23)25/h4,6,8,10,12,15H,3,5,7,9,11H2,1-2H3,(H2,21,22,24,26)/t12-,15-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@H](C=C[C@H](O1)OC)OCC#CC2(C(=C(C2=O)OC)OC)OC
InChI: InChI=1S/C26H42O8Si/c1-17(2)35(18(3)4,19(5)6)33-16-21-20(12-13-22(28-7)34-21)32-15-11-14-26(31-10)24(27)23(29-8)25(26)30-9/h12-13,17-22H,15-16H2,1-10H3/t20-,21+,22-,26?/m0/s1
SMILES: C1COC2=C(O1)C=CC(=C2)N3C(=O)[C@H]4[C@@H](N5C=CC6=CC=CC=C6[C@@H]5[C@H]4C3=O)C#N
InChI: InChI=1S/C23H17N3O4/c24-12-16-19-20(21-15-4-2-1-3-13(15)7-8-25(16)21)23(28)26(22(19)27)14-5-6-17-18(11-14)30-10-9-29-17/h1-8,11,16,19-21H,9-10H2/t16-,19-,20-,21+/m0/s1
SMILES: CCCC[C@]1([C@H]2C[C@@H]([C@H]1[S@@](=O)C3=CC=C(C=C3)C)C=C2)C(=O)C
InChI: InChI=1S/C20H26O2S/c1-4-5-12-20(15(3)21)17-9-8-16(13-17)19(20)23(22)18-10-6-14(2)7-11-18/h6-11,16-17,19H,4-5,12-13H2,1-3H3/t16-,17+,19+,20+,23-/m0/s1
SMILES: CC1=CC(=CC(=C1OC)O[Si](C)(C)C(C)(C)C)C[C@H]2C(=O)O[C@@H]([C@@H](N2C)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C32H41NO4Si/c1-22-19-23(21-27(29(22)35-6)37-38(7,8)32(2,3)4)20-26-31(34)36-30(25-17-13-10-14-18-25)28(33(26)5)24-15-11-9-12-16-24/h9-19,21,26,28,30H,20H2,1-8H3/t26-,28-,30+/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1CN3C[C@H]4CC=C[C@H]4C5=C(C=CC2=C53)C(=O)OCC(=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C27H24BrNO3/c28-19-9-7-16(8-10-19)24(30)15-32-27(31)23-12-11-22-20-5-1-3-17(20)13-29-14-18-4-2-6-21(18)25(23)26(22)29/h1-2,5-12,17-18,20-21H,3-4,13-15H2/t17-,18-,20-,21-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)F)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H20ClFN2O5/c1-10(23-17(25)12-4-2-3-5-13(12)18(23)26)19(27)28-9-16(24)22-15-8-11(20)6-7-14(15)21/h6-8,10,12-13H,2-5,9H2,1H3,(H,22,24)/t10-,12-,13+/m0/s1
SMILES: CO[C@@]12[C@@H](C3=C(N1C[C@H]4[C@@H]2N4)C(=O)C(=C(C3=O)N)CSC5=CC=CC=C5Cl)COC(=O)N
InChI: InChI=1S/C21H21ClN4O5S/c1-30-21-10(7-31-20(24)29)14-16(26(21)6-12-19(21)25-12)17(27)9(15(23)18(14)28)8-32-13-5-3-2-4-11(13)22/h2-5,10,12,19,25H,6-8,23H2,1H3,(H2,24,29)/t10-,12+,19+,21-/m1/s1
SMILES: C[C@@]12CCC[C@H]1[C@@H]3CC(=O)C4=C([C@H]3CC2)C=CC(=C4)OC
InChI: InChI=1S/C19H24O2/c1-19-8-3-4-17(19)15-11-18(20)16-10-12(21-2)5-6-13(16)14(15)7-9-19/h5-6,10,14-15,17H,3-4,7-9,11H2,1-2H3/t14-,15-,17+,19+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)N)O)O)O.Cl
InChI: InChI=1S/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3+,4-,5-,6-;/m1./s1
SMILES: CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C[NH+]2CC[C@@H]3CCCC[C@@H]3C2)N
InChI: InChI=1S/C21H35N5O3/c1-3-5-11-26-19(22)18(20(28)23-21(26)29)25(4-2)17(27)14-24-12-10-15-8-6-7-9-16(15)13-24/h15-16H,3-14,22H2,1-2H3,(H,23,28,29)/p+1/t15-,16+/m0/s1
SMILES: CSC1=NC(=O)C=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C10H14N2O5S/c1-18-10-11-6(14)2-3-12(10)9-8(16)7(15)5(4-13)17-9/h2-3,5,7-9,13,15-16H,4H2,1H3/t5-,7-,8-,9-/m1/s1
SMILES: C[C@H]1CC(=O)[C@H]2[C@@](CCC[C@@]2([C@@]13CC[C@](O3)(C)C=C)C)(C)CO
InChI: InChI=1S/C20H32O3/c1-6-18(4)10-11-20(23-18)14(2)12-15(22)16-17(3,13-21)8-7-9-19(16,20)5/h6,14,16,21H,1,7-13H2,2-5H3/t14-,16-,17+,18-,19-,20+/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CN=[N+]=[N-])O)OS(=O)(=O)[O-])O.[Na+]
InChI: InChI=1S/C7H13N3O8S.Na/c1-16-7-5(12)6(18-19(13,14)15)4(11)3(17-7)2-9-10-8;/h3-7,11-12H,2H2,1H3,(H,13,14,15);/q;+1/p-1/t3-,4-,5+,6+,7+;/m1./s1