EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=C2[C@H]3[C@H](/C(=C(\[C@@H]([C@@](C2(C)C)(C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)O)O)/CO)/C)OC(O3)(C)C
InChI: InChI=1S/C28H50O6Si/c1-15(2)35(16(3)4,17(5)6)34-21-13-28(31)25(30)20(14-29)18(7)23-24(33-27(11,12)32-23)22(19(21)8)26(28,9)10/h15-17,21,23-25,29-31H,13-14H2,1-12H3/b20-18-/t21-,23-,24-,25-,28+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)C(C(=O)O)C(=O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C14H25NO6Si/c1-7(21-22(5,6)14(2,3)4)8-10(15-11(8)16)9(12(17)18)13(19)20/h7-10H,1-6H3,(H,15,16)(H,17,18)(H,19,20)/t7-,8-,10+/m1/s1
SMILES: COC1=C(C=C(C=C1)N=C2N(CCCS2)C(=S)N[C@@H]3C[C@H]4CC[C@@H]3C4)OC
InChI: InChI=1S/C20H27N3O2S2/c1-24-17-7-6-15(12-18(17)25-2)21-20-23(8-3-9-27-20)19(26)22-16-11-13-4-5-14(16)10-13/h6-7,12-14,16H,3-5,8-11H2,1-2H3,(H,22,26)/t13-,14+,16+/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: CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)N5CCOCC5
InChI: InChI=1S/C26H27N3O4/c1-17-6-8-18(9-7-17)27-24(30)22-16-19(10-11-23(22)28-12-14-33-15-13-28)29-25(31)20-4-2-3-5-21(20)26(29)32/h2-3,6-11,16,20-21H,4-5,12-15H2,1H3,(H,27,30)/t20-,21-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@]13C=C[C@]4([C@@H]2CC[C@]5([C@H]4CC[C@@]56CN(C(=O)O6)C[C@H]7CCCO7)C)C(=C3)C(=O)C8=CC=C(O8)C9=C(C=CC(=C9)C(F)(F)F)Cl)O
InChI: InChI=1S/C40H43ClF3NO6/c1-35-12-9-24(46)19-37(35)15-16-39(27(20-37)33(47)30-8-7-29(50-30)26-18-23(40(42,43)44)5-6-28(26)41)31(35)10-13-36(2)32(39)11-14-38(36)22-45(34(48)51-38)21-25-4-3-17-49-25/h5-8,15-16,18,20,24-25,31-32,46H,3-4,9-14,17,19,21-22H2,1-2H3/t24-,25+,31+,32+,35+,36-,37-,38+,39+/m0/s1
SMILES: CCSC(=O)[C@@]12[C@H](OC(=O)[C@@H]1O[C@@]([C@](O2)(C)OC)(C)OC)C3=CC=CO3
InChI: InChI=1S/C17H22O8S/c1-6-26-14(19)17-11(10-8-7-9-22-10)23-13(18)12(17)24-15(2,20-4)16(3,21-5)25-17/h7-9,11-12H,6H2,1-5H3/t11-,12+,15-,16-,17-/m1/s1
SMILES: C1C[C@]2(C[C@@H](C(=O)[C@@]3([C@]24CCCO4)CCCO3)O)OC1
InChI: InChI=1S/C15H22O5/c16-11-10-13(4-1-7-18-13)15(6-3-9-20-15)14(12(11)17)5-2-8-19-14/h11,16H,1-10H2/t11-,13+,14+,15-/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C23H27N3O5/c1-16(26-21(28)18-9-5-6-10-19(18)22(26)29)23(30)31-15-20(27)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-8,16,18-19H,9-15H2,1H3/t16-,18+,19+/m0/s1
SMILES: C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](C3=CC=NC4=CC=CC=C34)NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C33H33N3O/c1-2-23-22-36-20-18-26(23)21-30(36)32(28-17-19-34-29-16-10-9-15-27(28)29)35-33(37)31(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h2-17,19,23,26,30-32H,1,18,20-22H2,(H,35,37)/t23-,26-,30+,32+/m0/s1
SMILES: C1=CN(C(=O)NC1=O)C2[C@H]([C@H]([C@@H](O2)CO)O)O.C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N
InChI: InChI=1S/C20H32N6O12S2.C9H12N2O6/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38);1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t;4-,6-,7-,8?/m.0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C(=C5)I)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)C=C)Cl
InChI: InChI=1S/C30H25Cl2IN2O6/c1-4-14-5-7-16(8-6-14)35-25(37)18-10-9-17-19(22(18)26(35)38)13-29(31)27(39)34(2)28(40)30(29,32)23(17)15-11-20(33)24(36)21(12-15)41-3/h4-9,11-12,18-19,22-23,36H,1,10,13H2,2-3H3/t18-,19+,22-,23-,29+,30-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@H]1OC(=O)C)OC)C(=O)OC)OC(=O)C
InChI: InChI=1S/C14H20O10/c1-6(15)21-9-10(22-7(2)16)12(23-8(3)17)14(20-5)24-11(9)13(18)19-4/h9-12,14H,1-5H3/t9-,10-,11-,12-,14-/m0/s1
SMILES: C1C[C@H]([C@@H](CC1)N/C=C/2\C(=O)C(=CC=C2)C3=CC=CC=C3O)N/C=C/4\C(=O)C(=CC=C4)C5=CC=CC=C5O.[Ni]
InChI: InChI=1S/C32H30N2O4.Ni/c35-29-17-5-1-11-23(29)25-13-7-9-21(31(25)37)19-33-27-15-3-4-16-28(27)34-20-22-10-8-14-26(32(22)38)24-12-2-6-18-30(24)36;/h1-2,5-14,17-20,27-28,33-36H,3-4,15-16H2;/b21-19-,22-20-;/t27-,28-;/m1./s1
SMILES: COC1=C(C=CC(=C1)N2CCN(CC2)C[C@@H]3C[C@H]3C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C27H30N2O/c1-30-27-19-24(12-13-25(27)21-8-4-2-5-9-21)29-16-14-28(15-17-29)20-23-18-26(23)22-10-6-3-7-11-22/h2-13,19,23,26H,14-18,20H2,1H3/t23-,26-/m0/s1
SMILES: C[C@@]1\2CC[C@@H](C1(C)C)[C@@H](/C2=N\O)[Se]C3CCCCC3(C)OC
InChI: InChI=1S/C18H31NO2Se/c1-16(2)12-9-11-17(16,3)15(19-20)14(12)22-13-8-6-7-10-18(13,4)21-5/h12-14,20H,6-11H2,1-5H3/b19-15+/t12-,13?,14+,17+,18?/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC=CC(=C6)[N+](=O)[O-])CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)OCCOCC8=CC=CC=C8
InChI: InChI=1S/C57H61FN4O13/c1-2-29-72-57-53(60(36-39-17-21-43(58)22-18-39)56(65)71-31-30-70-37-40-11-4-3-5-12-40)35-51(59-73-38-41-19-23-44(24-20-41)61(66)67)49-32-42(13-6-8-27-63)48(16-7-9-28-64)54(55(49)57)50-34-47(25-26-52(50)75-57)74-46-15-10-14-45(33-46)62(68)69/h2-5,10-12,14-15,17-26,32-34,42,48,53-55,63-64H,1,6-9,13,16,27-31,35-38H2/t42-,48+,53-,54+,55+,57+/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]
InChI: InChI=1S/C18H18ClN3O5/c19-14-8-7-11(10-15(14)22(26)27)20-16(23)6-3-9-21-17(24)12-4-1-2-5-13(12)18(21)25/h1-2,7-8,10,12-13H,3-6,9H2,(H,20,23)/t12-,13-/m0/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)OCCN5CC5)CCCCO)CCCCO)OCC=C)N(CC6=CC7=C(C=C6)OCO7)C(=O)OCCC=C
InChI: InChI=1S/C48H65N3O10/c1-6-8-25-56-46(54)51(31-33-15-17-41-42(27-33)58-32-57-41)43-30-39(49-61-47(3,4)5)37-28-34(13-9-11-22-52)36(14-10-12-23-53)44-38-29-35(55-26-21-50-19-20-50)16-18-40(38)60-48(43,45(37)44)59-24-7-2/h6-7,15-18,27-29,34,36,43-45,52-53H,1-2,8-14,19-26,30-32H2,3-5H3/t34-,36+,43-,44+,45+,48+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H]([N+](C3)(C)C)C(=O)N4CCNCC4)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C21H32N4O5S/c1-11-16-15(12(2)26)20(28)24(16)17(21(29)30)18(11)31-13-9-14(25(3,4)10-13)19(27)23-7-5-22-6-8-23/h11-16,22,26H,5-10H2,1-4H3/p+1/t11-,12-,13+,14+,15-,16-/m1/s1
SMILES: CC1=CC(=C(C=C1)C)CN2C=C(C3=C2C=CC(=C3)C)CCNC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)C(=O)NC7CC7)O)O
InChI: InChI=1S/C33H37N7O4/c1-18-4-6-20(3)22(12-18)15-39-14-21(24-13-19(2)5-9-25(24)39)10-11-34-30-26-31(36-16-35-30)40(17-37-26)33-28(42)27(41)29(44-33)32(43)38-23-7-8-23/h4-6,9,12-14,16-17,23,27-29,33,41-42H,7-8,10-11,15H2,1-3H3,(H,38,43)(H,34,35,36)/t27-,28+,29-,33+/m0/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@@H](C(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3)C#N
InChI: InChI=1S/C23H19N3O4S/c1-29-19-10-6-5-9-16(19)21-17(11-24)22(28)26-23(18(21)12-25)31-14-20(27)30-13-15-7-3-2-4-8-15/h2-10,17,21H,13-14H2,1H3,(H,26,28)/t17-,21-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C=C(C=N6)C8=CC=C(C=C8)I
InChI: InChI=1S/C29H27IN2O3/c30-21-6-3-17(4-7-21)20-11-19-13-29(34)23-12-18-5-8-22(33)26-24(18)28(29,27(35-26)25(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,23,27,33-34H,1-2,9-10,12-13,15H2/t23-,27+,28+,29-/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5/C(=N/OCCCC6=CC=CC=C6)/CC[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O
InChI: InChI=1S/C29H34N2O4/c32-23-11-10-21-17-24-29(33)13-12-22(30-34-16-4-7-19-5-2-1-3-6-19)27-28(29,25(21)26(23)35-27)14-15-31(24)18-20-8-9-20/h1-3,5-6,10-11,20,24,27,32-33H,4,7-9,12-18H2/b30-22+/t24-,27+,28+,29-/m1/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)C(=O)[O-])C
InChI: InChI=1S/C21H27NO5S/c1-11-9-14(15(20(24)25)10-12(11)2)18(23)22-19-17(21(26)27-3)13-7-5-4-6-8-16(13)28-19/h14-15H,4-10H2,1-3H3,(H,22,23)(H,24,25)/p-1/t14-,15-/m1/s1
SMILES: CC1=CC(=C(C(=C1Cl)C)Cl)OCC(=O)N(C)[C@@H]2C[C@H]([C@H](C[C@H]2N3CCCC3)OC)OC
InChI: InChI=1S/C23H34Cl2N2O4/c1-14-10-20(23(25)15(2)22(14)24)31-13-21(28)26(3)16-11-18(29-4)19(30-5)12-17(16)27-8-6-7-9-27/h10,16-19H,6-9,11-13H2,1-5H3/t16-,17-,18-,19+/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)[C@@H](COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)OS(=O)(=O)C)N=[N+]=[N-])C
InChI: InChI=1S/C30H33N3O8S/c1-29(2)39-27-25(32-33-31)26(38-28(27)40-29)24(41-42(4,34)35)19-37-30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)22-15-17-23(36-3)18-16-22/h5-18,24-28H,19H2,1-4H3/t24-,25-,26-,27-,28-/m1/s1
SMILES: COC1=CC=C(C=C1)C2OC[C@@H]([C@@H](O2)C/C=C/C(=O)OC)/C=C/C=C
InChI: InChI=1S/C20H24O5/c1-4-5-7-16-14-24-20(15-10-12-17(22-2)13-11-15)25-18(16)8-6-9-19(21)23-3/h4-7,9-13,16,18,20H,1,8,14H2,2-3H3/b7-5+,9-6+/t16-,18-,20?/m0/s1
SMILES: CC1=C2C(=C(C=C1)C(=O)OC)[C@H]3C=CC[C@H]3[C@@H](N2)C4=CC=CC=C4F
InChI: InChI=1S/C21H20FNO2/c1-12-10-11-16(21(24)25-2)18-13-7-5-8-14(13)20(23-19(12)18)15-6-3-4-9-17(15)22/h3-7,9-11,13-14,20,23H,8H2,1-2H3/t13-,14+,20+/m0/s1
SMILES: C1[C@H]([C@H]1C2=NC(=NO2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5
InChI: InChI=1S/C18H14N2O3/c1-2-4-11(5-3-1)13-9-14(13)18-19-17(20-23-18)12-6-7-15-16(8-12)22-10-21-15/h1-8,13-14H,9-10H2/t13-,14-/m0/s1
SMILES: CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]2NC(=O)N[C@@H]3[C@H]4C[C@@H]3N(C4)C(=O)OC(C)(C)C
InChI: InChI=1S/C21H34N4O5/c1-20(2,3)29-18(27)24-9-11-7-13(24)15(11)22-17(26)23-16-12-8-14(16)25(10-12)19(28)30-21(4,5)6/h11-16H,7-10H2,1-6H3,(H2,22,23,26)/t11-,12+,13-,14+,15+,16-
SMILES: B12C3=C4C=CC=C3OCCCCCCCCCCCCCCOC5=CC=CC(=C5B6O[C@@H]7[C@H](O6)C8CC7[C@H]([C@H]8O1)O2)OCCCCCCCCCCCCCCO4
InChI: InChI=1S/C47H70B2O8/c1-2-6-10-14-18-22-32-51-39-28-26-30-41-43(39)49-56-46-36-35-37(47(46)57-49)45-44(36)54-48(55-45)42-38(50-31-21-17-13-9-5-1)27-25-29-40(42)52-33-23-19-15-11-7-3-4-8-12-16-20-24-34-53-41/h25-30,36-37,44-47H,1-24,31-35H2/t36?,37?,44-,45+,46+,47-
SMILES: CCCCCCCCCCC/C=C/C(=O)OC1CN(C(C(=O)N(C1C(=O)O)C)C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@H]([C@H]([C@H](O4)CN)O)OS(=O)(=O)O)C
InChI: InChI=1S/C36H57N5O17S/c1-4-5-6-7-8-9-10-11-12-13-14-15-23(43)54-21-19-39(2)25(32(47)40(3)24(21)34(48)49)29(57-35-31(58-59(51,52)53)26(44)20(18-37)55-35)30-27(45)28(46)33(56-30)41-17-16-22(42)38-36(41)50/h14-17,20-21,24-31,33,35,44-46H,4-13,18-19,37H2,1-3H3,(H,48,49)(H,38,42,50)(H,51,52,53)/b15-14+/t20-,21?,24?,25?,26+,27+,28-,29?,30+,31+,33-,35+/m1/s1
SMILES: CCOC(=O)C1(CC(=C)[C@@H]2[C@H]1CCC=C2O[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC
InChI: InChI=1S/C25H42O5Si/c1-10-28-23(26)25(24(27)29-11-2)15-19(9)22-20(25)13-12-14-21(22)30-31(16(3)4,17(5)6)18(7)8/h14,16-18,20,22H,9-13,15H2,1-8H3/t20-,22-/m1/s1
SMILES: CCOC(=O)C1=CN=NN1[C@H]2[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)CO
InChI: InChI=1S/C13H19N3O6/c1-4-19-11(18)7-5-14-15-16(7)9-8(6-17)20-12-10(9)21-13(2,3)22-12/h5,8-10,12,17H,4,6H2,1-3H3/t8-,9+,10-,12-/m1/s1
SMILES: CC(=O)[C@H]1[C@H](C(=C(C[C@@]1(C)O)NC2=CC=C(C=C2)Br)C(=O)C)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C23H23BrN2O5/c1-13(27)20-19(25-17-8-6-16(24)7-9-17)12-23(3,29)22(14(2)28)21(20)15-4-10-18(11-5-15)26(30)31/h4-11,21-22,25,29H,12H2,1-3H3/t21-,22-,23+/m0/s1
SMILES: C[C@H]1/C=C/[C@H]([C@H](CCCC[C@H](OC(=O)[C@H](C2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)C3=CC=CC=C3)OC)OC
InChI: InChI=1S/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29?/m0/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC(=O)NCC5=CC=CC=C5)CCCCO)CCCCO)OCC=C)N(C)C(=O)C6=CC=C(C=C6)C#N
InChI: InChI=1S/C46H54N4O8/c1-4-25-55-46-41(50(3)44(53)33-19-17-31(29-47)18-20-33)28-39(49-56-5-2)37-26-34(15-9-11-23-51)36(16-10-12-24-52)42(43(37)46)38-27-35(21-22-40(38)58-46)57-45(54)48-30-32-13-7-6-8-14-32/h4,6-8,13-14,17-22,26-27,34,36,41-43,51-52H,1,5,9-12,15-16,23-25,28,30H2,2-3H3,(H,48,54)/t34-,36+,41-,42+,43+,46+/m0/s1
SMILES: CN1[C@@H]2[C@@H](C(=O)NC1=O)[N+](=CN2)CC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C13H13N5O4/c1-16-11-10(12(19)15-13(16)20)17(7-14-11)6-8-2-4-9(5-3-8)18(21)22/h2-5,7,10-11H,6H2,1H3,(H,15,19,20)/p+1/t10-,11+/m0/s1
SMILES: C1CS[C@]2(O1)[C@@]3([C@H]([C@@]3(C(=N2)N)C#N)C4=CC(=CC=C4)OC5=CC=CC=C5)C#N
InChI: InChI=1S/C21H16N4O2S/c22-12-19-17(20(19,13-23)21(25-18(19)24)26-9-10-28-21)14-5-4-8-16(11-14)27-15-6-2-1-3-7-15/h1-8,11,17H,9-10H2,(H2,24,25)/t17-,19+,20+,21+/m0/s1
SMILES: C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)OC2=NC1=O
InChI: InChI=1S/C9H13N2O14P3/c12-5-1-2-11-8-7(23-9(11)10-5)6(13)4(22-8)3-21-27(17,18)25-28(19,20)24-26(14,15)16/h1-2,4,6-8,13H,3H2,(H,17,18)(H,19,20)(H2,14,15,16)/t4-,6-,7+,8-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](/C(=N/OCC(=O)NCCCC3=CC=NC4=CC=CC=C34)/[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C
InChI: InChI=1S/C45H66N4O12/c1-12-34-45(8)40(60-43(54)61-45)27(4)36(48-56-24-35(50)47-20-15-16-30-19-21-46-32-18-14-13-17-31(30)32)25(2)23-44(7,55-11)39(28(5)37(51)29(6)41(53)58-34)59-42-38(52)33(49(9)10)22-26(3)57-42/h13-14,17-19,21,25-29,33-34,38-40,42,52H,12,15-16,20,22-24H2,1-11H3,(H,47,50)/b48-36+/t25-,26-,27+,28+,29-,33+,34-,38-,39-,40-,42+,44-,45-/m1/s1
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C
InChI: InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,22,24,27-28H,10,12-20H2,1-9H3/t22-,24-,27+,28+,30-,31-,32+/m1/s1
SMILES: CC(=CC/C=C(\C)/[C@]1([C@@H](C(=O)CC[C@]12CO2)OC)O)C
InChI: InChI=1S/C16H24O4/c1-11(2)6-5-7-12(3)16(18)14(19-4)13(17)8-9-15(16)10-20-15/h6-7,14,18H,5,8-10H2,1-4H3/b12-7+/t14-,15+,16-/m1/s1
SMILES: CCOC1=CC=CC2=C1N[C@@H]([C@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C20H20N2O3/c1-2-25-18-8-4-7-17-15-5-3-6-16(15)19(21-20(17)18)13-9-11-14(12-10-13)22(23)24/h3-5,7-12,15-16,19,21H,2,6H2,1H3/t15-,16+,19+/m0/s1
SMILES: C[C@H]1[C@@](NC(=N1)C2=CN(C(=O)C=C2)C(F)F)(C3=CC=C(C=C3)F)C4=CC(=NC=C4)F
InChI: InChI=1S/C21H16F4N4O/c1-12-21(14-3-5-16(22)6-4-14,15-8-9-26-17(23)10-15)28-19(27-12)13-2-7-18(30)29(11-13)20(24)25/h2-12,20H,1H3,(H,27,28)/t12-,21+/m0/s1
SMILES: CC(C)[C@H](C([C@@H]1[C@H]2CC[C@H](C2)[C@@H]1O)NC(=O)OC(C)(C)C)O
InChI: InChI=1S/C17H31NO4/c1-9(2)14(19)13(18-16(21)22-17(3,4)5)12-10-6-7-11(8-10)15(12)20/h9-15,19-20H,6-8H2,1-5H3,(H,18,21)/t10-,11+,12-,13?,14+,15-/m0/s1
SMILES: COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)O)OC
InChI: InChI=1S/C20H22O6/c1-24-18-6-4-12(10-19(18)25-2)7-14-11-26-20(23)15(14)8-13-3-5-16(21)17(22)9-13/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
SMILES: CC(C)NC(=O)NS(=O)(=O)C1=C(C=C[NH+]=C1)N[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C16H24N4O3S/c1-10(2)18-16(21)20-24(22,23)15-9-17-6-5-13(15)19-14-8-11-3-4-12(14)7-11/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,17,19)(H2,18,20,21)/p+1/t11-,12+,14+/m0/s1
SMILES: CC(=O)C1=CN2[C@H](C=C1)[C@@]([C@@H]([C@@H]2C(=O)N)C3=CSC=C3)(C#N)C(=O)OC
InChI: InChI=1S/C18H17N3O4S/c1-10(22)11-3-4-13-18(9-19,17(24)25-2)14(12-5-6-26-8-12)15(16(20)23)21(13)7-11/h3-8,13-15H,1-2H3,(H2,20,23)/t13-,14-,15-,18-/m1/s1
SMILES: CCCCCCCCCC[C@H]1[C@H](O1)CCOS(=O)(=O)C2=CC=C(C=C2)C
InChI: InChI=1S/C21H34O4S/c1-3-4-5-6-7-8-9-10-11-20-21(25-20)16-17-24-26(22,23)19-14-12-18(2)13-15-19/h12-15,20-21H,3-11,16-17H2,1-2H3/t20-,21+/m0/s1
SMILES: C[C@@H](C1=CC[C@@H]2[C@@]1(CCC3=C2C=CC(=C3)OC)C)C4(OCCO4)CCC(C)C
InChI: InChI=1S/C25H36O3/c1-17(2)10-13-25(27-14-15-28-25)18(3)22-8-9-23-21-7-6-20(26-5)16-19(21)11-12-24(22,23)4/h6-8,16-18,23H,9-15H2,1-5H3/t18-,23-,24+/m0/s1
SMILES: CN(C1=CC(=C(C=C1)OC)C(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3)S(=O)(=O)C
InChI: InChI=1S/C20H31N3O4S/c1-22(28(3,25)26)16-9-10-19(27-2)17(13-16)20(24)21-14-15-7-6-12-23-11-5-4-8-18(15)23/h9-10,13,15,18H,4-8,11-12,14H2,1-3H3,(H,21,24)/t15-,18+/m0/s1
SMILES: C[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)OC)OC(=O)OC)C)C
InChI: InChI=1S/C32H50O7/c1-19(13-15-30(3,4)35)20(2)24-11-12-25-23-10-9-21-17-22(38-28(33)36-7)18-27(39-29(34)37-8)32(21,6)26(23)14-16-31(24,25)5/h9-10,19-20,22,24-27,35H,11-18H2,1-8H3/t19-,20+,22-,24-,25+,26+,27+,31-,32+/m1/s1
SMILES: CC1=C(C=CC(=C1)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)NC5=O)C(=O)NC3=O)O
InChI: InChI=1S/C21H20N2O5/c1-8-6-9(2-5-14(8)24)15-10-3-4-11-16(20(27)22-18(11)25)12(10)7-13-17(15)21(28)23-19(13)26/h2-3,5-6,11-13,15-17,24H,4,7H2,1H3,(H,22,25,27)(H,23,26,28)/t11-,12+,13+,15-,16-,17+/m0/s1
SMILES: CCCC1=CC2=C(N1CC3=CC=CO3)C([C@H]4[C@@H]2[C@](N(C4)C(=O)C5=CC=CC=C5)(CC6=CC=CC=C6)C(=O)OC)C
InChI: InChI=1S/C34H36N2O4/c1-4-12-26-19-28-30-29(23(2)31(28)35(26)21-27-17-11-18-40-27)22-36(32(37)25-15-9-6-10-16-25)34(30,33(38)39-3)20-24-13-7-5-8-14-24/h5-11,13-19,23,29-30H,4,12,20-22H2,1-3H3/t23?,29-,30+,34+/m0/s1
SMILES: CC(C)(/C=C/C=C\1/[C@@H]2CCC(=C)[C@H](CCC(=C)[C@H]2COC1=O)O)O
InChI: InChI=1S/C20H28O4/c1-13-8-10-18(21)14(2)7-9-15-16(6-5-11-20(3,4)23)19(22)24-12-17(13)15/h5-6,11,15,17-18,21,23H,1-2,7-10,12H2,3-4H3/b11-5+,16-6-/t15-,17+,18-/m0/s1
SMILES: CCCN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NCC)OCC=C)CCCCO)CCCCO)C(=O)C=CC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C47H62N4O11/c1-4-24-50(42(54)23-18-32-16-19-34(20-17-32)51(56)57)41-31-39(49-62-43-15-9-12-28-58-43)37-29-33(13-7-10-25-52)36(14-8-11-26-53)44-38-30-35(60-46(55)48-6-3)21-22-40(38)61-47(41,45(37)44)59-27-5-2/h5,16-23,29-30,33,36,41,43-45,52-53H,2,4,6-15,24-28,31H2,1,3H3,(H,48,55)/t33-,36+,41-,43?,44+,45+,47+/m0/s1
SMILES: CS(=O)(=O)O[C@@H]1CC2=C3C(=CC(=C2[C@@H]1OS(=O)(=O)C)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O
InChI: InChI=1S/C26H22O9S2/c1-36(29,30)34-21-12-18-22-19(24(27)16-10-6-7-11-17(16)25(22)28)13-20(23(18)26(21)35-37(2,31)32)33-14-15-8-4-3-5-9-15/h3-11,13,21,26H,12,14H2,1-2H3/t21-,26-/m1/s1
SMILES: C[C@H]1[C@@H](OC2=CC=CC=C2O1)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)C
InChI: InChI=1S/C21H20N2O3S/c1-13-7-9-15(10-8-13)11-16-12-22-21(27-16)23-20(24)19-14(2)25-17-5-3-4-6-18(17)26-19/h3-10,12,14,19H,11H2,1-2H3,(H,22,23,24)/t14-,19+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H]([C@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)C(F)(F)F
InChI: InChI=1S/C23H30F3N3O4Si/c1-22(2,3)34(4,5)32-14-16-13-17(23(24,25)26)20(33-16)29-12-11-18(28-21(29)31)27-19(30)15-9-7-6-8-10-15/h6-12,16-17,20H,13-14H2,1-5H3,(H,27,28,30,31)/t16-,17-,20-/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]2[C@H]3[C@@H]([C@@H]1C4=CC=CC=C24)C(=O)C=CC3=O
InChI: InChI=1S/C19H19NO4/c1-19(2,3)24-18(23)20-16-10-6-4-5-7-11(10)17(20)15-13(22)9-8-12(21)14(15)16/h4-9,14-17H,1-3H3/t14-,15+,16-,17+
SMILES: CC(C)[C@H](C(=O)O[C@@H]1CC([C@]([C@@H]2[C@@]1(C3=CC[C@H]([C@@]3(CC2)C)[C@@H]4C[C@H](OC4)C=C(C)C)C)(C)CCC(=O)O)C(C)(C)O)O
InChI: InChI=1S/C35H56O7/c1-20(2)16-23-17-22(19-41-23)24-10-11-25-33(24,7)14-12-26-34(8,15-13-29(36)37)27(32(5,6)40)18-28(35(25,26)9)42-31(39)30(38)21(3)4/h11,16,21-24,26-28,30,38,40H,10,12-15,17-19H2,1-9H3,(H,36,37)/t22-,23-,24+,26-,27?,28-,30-,33+,34-,35+/m1/s1
SMILES: CC1([C@@H]2CC[C@]13C[Se+](O[C@@H]3C2)C4=CC=CC=C4)C
InChI: InChI=1S/C16H21OSe/c1-15(2)12-8-9-16(15)11-18(17-14(16)10-12)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/q+1/t12-,14-,16-,18?/m1/s1
SMILES: CC(=CCC[C@@]1([C@@](N(C(=O)O1)CCCCCC(=O)O)(C)O)C)C
InChI: InChI=1S/C17H29NO5/c1-13(2)9-8-11-16(3)17(4,22)18(15(21)23-16)12-7-5-6-10-14(19)20/h9,22H,5-8,10-12H2,1-4H3,(H,19,20)/t16-,17-/m1/s1
SMILES: C1CN([C@H]2[C@@H]1NC(=O)N(C2=O)CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C26H23N3O3/c30-24(21-13-11-20(12-14-21)19-9-5-2-6-10-19)28-16-15-22-23(28)25(31)29(26(32)27-22)17-18-7-3-1-4-8-18/h1-14,22-23H,15-17H2,(H,27,32)/t22-,23+/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)CCON=C2CCCC2
InChI: InChI=1S/C12H19N3O6S/c1-8-11(12(17)15(8)22(18,19)20)13-10(16)6-7-21-14-9-4-2-3-5-9/h8,11H,2-7H2,1H3,(H,13,16)(H,18,19,20)/t8-,11-/m0/s1
SMILES: CCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@@H]1C3=CN=CC=C3)C
InChI: InChI=1S/C18H20N2O3/c1-3-23-18(22)15-11(2)20-13-7-4-8-14(21)17(13)16(15)12-6-5-9-19-10-12/h5-6,9-10,16-17H,3-4,7-8H2,1-2H3/t16-,17-/m1/s1
SMILES: CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1CCCNC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)CCC4=CC=C(C=C4)O)[C@@H](CC(=O)N)O)C)O
InChI: InChI=1S/C51H82N8O13/c1-6-29(2)24-30(3)14-11-9-7-8-10-12-16-41(65)54-36-15-13-23-53-49(70)44-45(66)31(4)27-59(44)51(72)43(39(63)26-40(52)64)57-47(68)37(22-19-33-17-20-34(61)21-18-33)55-48(69)38-25-35(62)28-58(38)50(71)42(32(5)60)56-46(36)67/h17-18,20-21,29-32,35-39,42-45,60-63,66H,6-16,19,22-28H2,1-5H3,(H2,52,64)(H,53,70)(H,54,65)(H,55,69)(H,56,67)(H,57,68)/t29?,30?,31-,32+,35+,36+,37-,38-,39+,42-,43-,44-,45-/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)C(CCN)O)O)O[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N
InChI: InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8?,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/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)[C@H](C)OC(=O)C)CSC5=CC=CC=[N+]5[O-]
InChI: InChI=1S/C36H38N2O7S/c1-23-32(22-46-33-10-6-7-19-38(33)42)44-36(45-34(23)28-13-11-26(21-39)12-14-28)29-17-15-27(16-18-29)31-9-5-4-8-30(31)20-37-35(41)24(2)43-25(3)40/h4-19,23-24,32,34,36,39H,20-22H2,1-3H3,(H,37,41)/t23-,24-,32+,34+,36+/m0/s1
SMILES: C[C@H]1[C@@H]2CO[C@H]([C@@H]2C3=C(O1)OC(OC3=O)(C)C)COCC4=CC=CC=C4
InChI: InChI=1S/C20H24O6/c1-12-14-10-23-15(11-22-9-13-7-5-4-6-8-13)16(14)17-18(21)25-20(2,3)26-19(17)24-12/h4-8,12,14-16H,9-11H2,1-3H3/t12-,14-,15-,16+/m0/s1
SMILES: C1=CC=C2C(=C1)C(=CN2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C13H15NO4/c15-6-10-11(16)12(17)13(18-10)8-5-14-9-4-2-1-3-7(8)9/h1-5,10-17H,6H2/t10-,11-,12-,13-/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=C(C=CC(=C8)Cl)O)C(=O)N(C7=O)C9=CC=C(C=C9)Br)C
InChI: InChI=1S/C40H31BrCl2N4O5S/c1-18-25-14-21(43)7-13-31(25)53-35(18)29-17-32(45(3)44-29)47-37(50)28-16-26-23(34(40(28,2)39(47)52)27-15-20(42)6-12-30(27)48)10-11-24-33(26)38(51)46(36(24)49)22-8-4-19(41)5-9-22/h4-10,12-15,17,24,26,28,33-34,48H,11,16H2,1-3H3/t24-,26+,28-,33-,34+,40+/m0/s1
SMILES: C[C@@H](C(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NC(=O)[C@@H]4CCC[C@H]4[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)CC(C)C
InChI: InChI=1S/C51H68N4O10/c1-33(2)29-42-44(64-51(7,8)55(42)49(61)65-50(4,5)6)38-25-18-26-39(38)46(58)52-34(3)45(57)53-40(27-28-43(56)62-31-36-21-14-10-15-22-36)47(59)54-41(30-35-19-12-9-13-20-35)48(60)63-32-37-23-16-11-17-24-37/h9-17,19-24,33-34,38-42,44H,18,25-32H2,1-8H3,(H,52,58)(H,53,57)(H,54,59)/t34-,38+,39+,40-,41-,42-,44-/m0/s1
SMILES: C[C@H]1[C@H]([C@@H](C[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C)OC(=O)C)O
InChI: InChI=1S/C17H22O5/c1-8-11-5-12-9(2)15(19)14(21-10(3)18)7-17(12,4)6-13(11)22-16(8)20/h5,9,11,13-15,19H,1,6-7H2,2-4H3/t9-,11-,13-,14-,15-,17+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]([C@H](/C(=C/COCCC3=CC4=CC=CC=C4C=C3)/[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)OC5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C
InChI: InChI=1S/C45H66N2O10/c1-12-36-45(8)39(46-43(51)57-45)28(4)34(20-22-53-21-19-31-17-18-32-15-13-14-16-33(32)24-31)26(2)25-44(7,52-11)40(29(5)37(48)30(6)41(50)55-36)56-42-38(49)35(47(9)10)23-27(3)54-42/h13-18,20,24,26-30,35-36,38-40,42,49H,12,19,21-23,25H2,1-11H3,(H,46,51)/b34-20+/t26-,27-,28+,29+,30-,35+,36-,38-,39+,40-,42?,44-,45-/m1/s1
SMILES: CNC(=S)SC[C@@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N\OC)/C2=CSC(=N2)N
InChI: InChI=1S/C12H16N6O6S4/c1-14-12(25)27-4-6-8(10(20)18(6)28(21,22)23)16-9(19)7(17-24-2)5-3-26-11(13)15-5/h3,6,8H,4H2,1-2H3,(H2,13,15)(H,14,25)(H,16,19)(H,21,22,23)/b17-7-/t6-,8+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@H]2CC(=O)O[C@H]2O1)[C@@]3(CC[C@@H]4[C@@]5([C@H]3C5)CCCC4(C)C)C
InChI: InChI=1S/C22H32O5/c1-12(23)25-19-17(13-10-16(24)26-18(13)27-19)21(4)9-6-14-20(2,3)7-5-8-22(14)11-15(21)22/h13-15,17-19H,5-11H2,1-4H3/t13-,14+,15+,17+,18+,19+,21-,22-/m1/s1
SMILES: CCOP(=O)(C(=C)C[C@]1(CO[C@H]2[C@@H]1O[C@H]3[C@@H]2OC(O3)(C)C)O)OCC
InChI: InChI=1S/C16H27O8P/c1-6-20-25(18,21-7-2)10(3)8-16(17)9-19-11-12-14(22-13(11)16)24-15(4,5)23-12/h11-14,17H,3,6-9H2,1-2,4-5H3/t11-,12-,13+,14-,16-/m1/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@@H]4[C@]1([C@H](C(=O)O2)N(O4)CC5=CC(=CC=C5)C=COCCO)C(=O)NCCC(=O)NCCO)OCO3
InChI: InChI=1S/C26H33N3O10/c30-8-7-27-19(32)4-6-28-25(34)26-13-18-20-21(37-15-36-20)23(26)39-29(22(26)24(33)38-18)14-17-3-1-2-16(12-17)5-10-35-11-9-31/h1-3,5,10,12,18,20-23,30-31H,4,6-9,11,13-15H2,(H,27,32)(H,28,34)/t18-,20+,21+,22+,23-,26+/m1/s1