EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CC[C@@H]([C@@H](C1)NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N
InChI: InChI=1S/C22H26N6O7S/c23-17-10-7-14(28(32)33)11-16(17)22(31)25-12-20(29)26-18-3-1-2-4-19(18)27-21(30)13-5-8-15(9-6-13)36(24,34)35/h5-11,18-19H,1-4,12,23H2,(H,25,31)(H,26,29)(H,27,30)(H2,24,34,35)/t18-,19+/m1/s1
SMILES: CCCCCC[C@H](C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)Br)OC(=O)C4=CC=C(C=C4)Br)OC(=O)C5=CC=C(C=C5)Br
InChI: InChI=1S/C42H40Br4O10/c1-3-4-5-6-7-25(2)52-42-37(56-41(50)29-14-22-33(46)23-15-29)36(55-40(49)28-12-20-32(45)21-13-28)35(54-39(48)27-10-18-31(44)19-11-27)34(53-42)24-51-38(47)26-8-16-30(43)17-9-26/h8-23,25,34-37,42H,3-7,24H2,1-2H3/t25-,34+,35+,36-,37+,42+/m0/s1
SMILES: CCCC[C@H]([C@H]1[C@]2(O1)C[C@H]3CC[C@@]2(C3(C)C)C)O
InChI: InChI=1S/C16H28O2/c1-5-6-7-12(17)13-16(18-13)10-11-8-9-15(16,4)14(11,2)3/h11-13,17H,5-10H2,1-4H3/t11-,12-,13+,15-,16-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=CC=C3C(F)(F)F)C(=O)[O-]
InChI: InChI=1S/C14H12F3NO2/c15-14(16,17)10-6-2-5-8-7-3-1-4-9(7)12(13(19)20)18-11(8)10/h1-3,5-7,9,12,18H,4H2,(H,19,20)/p-1/t7-,9-,12-/m1/s1
SMILES: CC(C)CC(=O)O[C@H]1CC(=C)[C@@H]2CCC[C@]2(C[C@@H]1C(C)(C)O[C@H]3[C@@H]([C@H]([C@@H](CO3)OC(=O)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C31H48O10/c1-17(2)13-26(35)40-24-14-18(3)22-11-10-12-31(22,9)15-23(24)30(7,8)41-29-28(39-21(6)34)27(38-20(5)33)25(16-36-29)37-19(4)32/h17,22-25,27-29H,3,10-16H2,1-2,4-9H3/t22-,23-,24-,25+,27-,28+,29-,31-/m0/s1
SMILES: C1[C@@H]2[C@@H](C(=O)N2C(=C(S1)O)C(=O)O)NC(=O)COC3=CC=CC=C3
InChI: InChI=1S/C15H14N2O6S/c18-10(6-23-8-4-2-1-3-5-8)16-11-9-7-24-15(22)12(14(20)21)17(9)13(11)19/h1-5,9,11,22H,6-7H2,(H,16,18)(H,20,21)/t9-,11+/m1/s1
SMILES: C1CCC(CC1)[C@@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CC4)C(=O)C(=O)N)C3(Cl)Cl)NC(=O)NC5CCCCC5
InChI: InChI=1S/C28H41Cl2N5O5/c29-28(30)18-14-35(22(20(18)28)25(38)33-19(13-15-11-12-15)23(36)24(31)37)26(39)21(16-7-3-1-4-8-16)34-27(40)32-17-9-5-2-6-10-17/h15-22H,1-14H2,(H2,31,37)(H,33,38)(H2,32,34,40)/t18-,19?,20-,21-,22-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC1[C@H]2[C@H](C3[C@@H]([C@@H]1OC(O2)O3)OCCOC4CCCCO4)OCCOC5CCCCO5
InChI: InChI=1S/C27H48O10Si/c1-27(2,3)38(4,5)37-25-23-20(32-16-14-30-18-10-6-8-12-28-18)22-21(24(25)36-26(34-22)35-23)33-17-15-31-19-11-7-9-13-29-19/h18-26H,6-17H2,1-5H3/t18?,19?,20-,21-,22?,23-,24+,25?,26?/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=CC(=C2O)CCC3=CC(=C(C(=C3)OC)OC)OC)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C32H40O15/c1-16(33)42-15-25-29(43-17(2)34)30(44-18(3)35)31(45-19(4)36)32(46-25)47-28-22(38-5)12-11-21(26(28)37)10-9-20-13-23(39-6)27(41-8)24(14-20)40-7/h11-14,25,29-32,37H,9-10,15H2,1-8H3/t25-,29-,30+,31-,32+/m1/s1
SMILES: CC(C)C(CCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C)O
InChI: InChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17?,19-,20+,21-,22-,23?,24+,25?,26-,27+/m0/s1
SMILES: CCOC(=O)[C@@H](C(C)C)[C@]1(CCCC[C@@H]1[S@@](=O)C2=CC=C(C=C2)C)O
InChI: InChI=1S/C20H30O4S/c1-5-24-19(21)18(14(2)3)20(22)13-7-6-8-17(20)25(23)16-11-9-15(4)10-12-16/h9-12,14,17-18,22H,5-8,13H2,1-4H3/t17-,18+,20+,25-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O[C@H]3C[C@@H](O[C@@H]3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=C(C(=O)NC7=O)C)SCC8=C(C=C(C=C8)Cl)Cl)OC(=O)C
InChI: InChI=1S/C50H51Cl2N4O13PS2/c1-29-24-55(48(60)53-46(29)58)44-22-40(66-31(3)57)43(68-44)27-65-70(71,72-28-32-11-16-36(51)21-39(32)52)69-41-23-45(56-25-30(2)47(59)54-49(56)61)67-42(41)26-64-50(33-9-7-6-8-10-33,34-12-17-37(62-4)18-13-34)35-14-19-38(63-5)20-15-35/h6-21,24-25,40-45H,22-23,26-28H2,1-5H3,(H,53,58,60)(H,54,59,61)/t40-,41-,42+,43+,44+,45+,70?/m0/s1
SMILES: CCCO[C@H]1[C@H](C[C@]2([C@H]1[C@H]([C@@]34COC([C@@H]3[C@H](C=C[C@H]4OC(=O)C5=CN=CC=C5)C(=C)C)([C@@H]2OC(=O)C6=CN=CC=C6)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C39H46N2O10/c1-8-17-46-31-23(4)18-39(51-25(6)43)30(31)33(48-24(5)42)38-21-47-37(7,36(39)50-35(45)27-12-10-16-41-20-27)32(38)28(22(2)3)13-14-29(38)49-34(44)26-11-9-15-40-19-26/h9-16,19-20,23,28-33,36H,2,8,17-18,21H2,1,3-7H3/t23-,28+,29+,30+,31-,32-,33+,36-,37?,38+,39+/m0/s1
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)OC)C(=O)OC)CCC(=O)OCCCC#C[C@@]6(CCC7[C@@]6(CCC8C7CCC9=C8C=CC(=C9)O)C)O)C)C)C=C)C
InChI: InChI=1S/C58H66N4O8/c1-10-37-31(3)44-28-46-33(5)39(19-20-50(64)70-26-14-12-13-23-58(67)25-22-43-42-17-15-35-27-36(63)16-18-40(35)41(42)21-24-57(43,58)7)53(61-46)52(56(66)69-9)54-51(55(65)68-8)34(6)47(62-54)30-49-38(11-2)32(4)45(60-49)29-48(37)59-44/h10,16,18,27-30,33,39,41-43,59-60,63,67H,1,11-12,14-15,17,19-22,24-26H2,2-9H3/t33-,39-,41?,42?,43?,57-,58-/m0/s1
SMILES: C=C1[C@@H]([C@H](NC(=O)N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H15ClN2O2/c1-11-15(17(22)13-7-9-14(19)10-8-13)16(21-18(23)20-11)12-5-3-2-4-6-12/h2-10,15-16H,1H2,(H2,20,21,23)/t15-,16+/m0/s1
SMILES: C[C@H](/C=C/[C@@H](C)C(C)C)[C@@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@@H](CCC3=C)O)C
InChI: InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12?,24-13?/t20-,22-,25-,26+,27+,28-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)[C@@H]2CC3=CC=CC=C3O2
InChI: InChI=1S/C18H25N3O2S/c1-11-6-5-8-14(12(11)2)19-18(24)21-20-17(22)16-10-13-7-3-4-9-15(13)23-16/h3-4,7,9,11-12,14,16H,5-6,8,10H2,1-2H3,(H,20,22)(H2,19,21,24)/t11-,12+,14+,16-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@@H]3[C@H](O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CS5
InChI: InChI=1S/C21H16N2O3S/c24-20-17-18(16-12-7-13-27-16)23(15-10-5-2-6-11-15)26-19(17)21(25)22(20)14-8-3-1-4-9-14/h1-13,17-19H/t17-,18-,19+/m1/s1
SMILES: C[C@@H]1C[C@]2([C@H](CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CCC4=O)C)C[C@]15CS5)C
InChI: InChI=1S/C21H32OS/c1-13-10-20(3)14(11-21(13)12-23-21)4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20/h13-17H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,19+,20+,21+/m1/s1
SMILES: C1[C@H]2[C@@H](CS1(=O)=O)SC(=NC(=O)CC3=CC=CC=C3)N2C4=CC=CC=C4F
InChI: InChI=1S/C19H17FN2O3S2/c20-14-8-4-5-9-15(14)22-16-11-27(24,25)12-17(16)26-19(22)21-18(23)10-13-6-2-1-3-7-13/h1-9,16-17H,10-12H2/t16-,17+/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4OC(=O)C5=CC=CC=C5)C)O)O)COC(=O)C6=CC=CC=C6
InChI: InChI=1S/C34H36O7/c1-19-17-33-20(2)15-25-26(32(25,3)4)24(28(33)36)16-23(18-40-30(37)21-11-7-5-8-12-21)27(35)34(33,39)29(19)41-31(38)22-13-9-6-10-14-22/h5-14,16-17,20,24-27,29,35,39H,15,18H2,1-4H3/t20-,24+,25-,26+,27-,29+,33+,34+/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)C3=CC(=C(C=C3)F)F
InChI: InChI=1S/C17H18F2N2O3/c1-10-4-2-3-7-17(10)15(23)21(16(24)20-17)9-14(22)11-5-6-12(18)13(19)8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,20,24)/t10-,17+/m1/s1
SMILES: CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CCC4=CC(=O)CC[C@]34COC(=O)CCC(=O)O)C
InChI: InChI=1S/C25H34O6/c1-15(26)19-5-6-20-18-4-3-16-13-17(27)9-12-25(16,21(18)10-11-24(19,20)2)14-31-23(30)8-7-22(28)29/h13,18-21H,3-12,14H2,1-2H3,(H,28,29)/t18-,19-,20-,21+,24+,25+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)NC4=CC=CC=C4F)C
InChI: InChI=1S/C18H22FNO6/c1-17(2)23-11-12(24-17)14-16(26-18(3,4)25-14)22-13(11)15(21)20-10-8-6-5-7-9(10)19/h5-8,11-14,16H,1-4H3,(H,20,21)/t11-,12+,13+,14+,16-/m0/s1
SMILES: CC1=CC=C([C@]2(C1=C[C@H]3[C@H](C2)OC(=O)[C@]3(CO)O)CO)O
InChI: InChI=1S/C15H18O6/c1-8-2-3-12(18)14(6-16)5-11-10(4-9(8)14)15(20,7-17)13(19)21-11/h2-4,10-11,16-18,20H,5-7H2,1H3/t10-,11-,14-,15+/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)O)CCCCO)CCCCO)N(CC6=CC=C(C=C6)F)C(=O)C=CC7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C48H56FN3O10/c1-2-26-60-48-43(51(31-33-12-17-35(49)18-13-33)44(56)23-16-32-14-19-36(20-15-32)52(57)58)30-41(50-62-45-11-5-8-27-59-45)39-28-34(9-3-6-24-53)38(10-4-7-25-54)46(47(39)48)40-29-37(55)21-22-42(40)61-48/h2,12-23,28-29,34,38,43,45-47,53-55H,1,3-11,24-27,30-31H2/t34-,38+,43-,45?,46+,47+,48+/m0/s1
SMILES: COC1=CC(=C(C=C1)CN2[C@H]([C@@H](C2=O)N3C(=O)C4=CC=CC=C4C3=O)C(=O)OC)OC
InChI: InChI=1S/C22H20N2O7/c1-29-13-9-8-12(16(10-13)30-2)11-23-18(22(28)31-3)17(21(23)27)24-19(25)14-6-4-5-7-15(14)20(24)26/h4-10,17-18H,11H2,1-3H3/t17-,18+/m0/s1
SMILES: CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H23N3O6/c1-2-22-21(29)23-18(26)17(13-8-4-3-5-9-13)30-16(25)12-24-19(27)14-10-6-7-11-15(14)20(24)28/h3-9,14-15,17H,2,10-12H2,1H3,(H2,22,23,26,29)/t14-,15-,17-/m0/s1
SMILES: CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)NC(C(C)C)C(=O)OC
InChI: InChI=1S/C18H29NO4/c1-5-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(12(2)3)18(22)23-4/h6-7,12-14,17H,5,8-11H2,1-4H3,(H,19,21)/b7-6-/t13-,14-,17?/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)OC)N3C(=O)C4=CC=CC=C4C3=O)OC(=O)C)OCC5=CC=CC=C5
InChI: InChI=1S/C32H31NO10/c1-19(34)39-18-26-28(40-17-21-9-5-4-6-10-21)29(41-20(2)35)27(32(43-26)42-23-15-13-22(38-3)14-16-23)33-30(36)24-11-7-8-12-25(24)31(33)37/h4-16,26-29,32H,17-18H2,1-3H3/t26-,27-,28-,29-,32-/m1/s1
SMILES: C1CN(CC=C1C2=C3C(=CC=C2)OCCO3)[C@@H]4CC5=C([C@H]4O)C=CC(=C5)F
InChI: InChI=1S/C22H22FNO3/c23-16-4-5-17-15(12-16)13-19(21(17)25)24-8-6-14(7-9-24)18-2-1-3-20-22(18)27-11-10-26-20/h1-6,12,19,21,25H,7-11,13H2/t19-,21-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H](C(O1)OCCCC=C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C32H38O5/c1-3-4-14-21-33-32-31(36-24-28-19-12-7-13-20-28)30(35-23-27-17-10-6-11-18-27)29(25(2)37-32)34-22-26-15-8-5-9-16-26/h3,5-13,15-20,25,29-32H,1,4,14,21-24H2,2H3/t25-,29+,30+,31-,32?/m0/s1
SMILES: COC(=O)[C@H]1[C@@H](N2[C@@H](COC(=O)N2[C@@H]1C(=O)OC)C3=CC=CC=C3)CCC4=CC=CC=C4
InChI: InChI=1S/C24H26N2O6/c1-30-22(27)20-18(14-13-16-9-5-3-6-10-16)25-19(17-11-7-4-8-12-17)15-32-24(29)26(25)21(20)23(28)31-2/h3-12,18-21H,13-15H2,1-2H3/t18-,19-,20-,21-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)OCC(=O)C5=CC=CC=C5
InChI: InChI=1S/C23H19NO4/c25-19(14-4-2-1-3-5-14)13-28-18-10-8-17(9-11-18)24-22(26)20-15-6-7-16(12-15)21(20)23(24)27/h1-11,15-16,20-21H,12-13H2/t15-,16+,20-,21+
SMILES: CC1=C(SC(=N1)NC(=O)CN(CCN(C)C)C(=O)[C@H]2C[C@H]2C3=CC=CC=C3)C
InChI: InChI=1S/C21H28N4O2S/c1-14-15(2)28-21(22-14)23-19(26)13-25(11-10-24(3)4)20(27)18-12-17(18)16-8-6-5-7-9-16/h5-9,17-18H,10-13H2,1-4H3,(H,22,23,26)/t17-,18-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=C(C(=C(C=C2)OC)OC)OC
InChI: InChI=1S/C19H29N3O4S/c1-11-7-6-8-14(12(11)2)20-19(27)22-21-18(23)13-9-10-15(24-3)17(26-5)16(13)25-4/h9-12,14H,6-8H2,1-5H3,(H,21,23)(H2,20,22,27)/t11-,12+,14-/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)OC5=CC(=C(C=C5)C)C)CCCCO)CCCCO)OCC=C)N(C)C(=O)C6=CC=C(C=C6)C#N
InChI: InChI=1S/C46H55N3O7/c1-6-24-53-46-42(49(5)45(52)33-17-15-32(29-47)16-18-33)28-40(48-54-7-2)38-26-34(12-8-10-22-50)37(13-9-11-23-51)43(44(38)46)39-27-36(20-21-41(39)56-46)55-35-19-14-30(3)31(4)25-35/h6,14-21,25-27,34,37,42-44,50-51H,1,7-13,22-24,28H2,2-5H3/t34-,37+,42-,43+,44+,46+/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)CCC(=O)O)CSC4=CC=C(C=C4)NC(=O)C
InChI: InChI=1S/C31H34N2O7S/c1-19-27(18-41-26-12-10-24(11-13-26)32-20(2)35)39-31(40-30(19)22-8-6-21(17-34)7-9-22)23-4-3-5-25(16-23)33-28(36)14-15-29(37)38/h3-13,16,19,27,30-31,34H,14-15,17-18H2,1-2H3,(H,32,35)(H,33,36)(H,37,38)/t19-,27+,30+,31+/m1/s1
SMILES: C[C@H](/C=N\NC(=O)[C@H]1C[C@H]1C2=CC=C(C=C2)C(C)(C)C)C3=CC=CC=C3
InChI: InChI=1S/C23H28N2O/c1-16(17-8-6-5-7-9-17)15-24-25-22(26)21-14-20(21)18-10-12-19(13-11-18)23(2,3)4/h5-13,15-16,20-21H,14H2,1-4H3,(H,25,26)/b24-15-/t16-,20+,21+/m1/s1
SMILES: C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl
InChI: InChI=1S/C18H21ClN2O6/c1-11-6-16(22)14(15(11)9-21(25)26)7-18(24)27-10-17(23)20-8-12-2-4-13(19)5-3-12/h2-5,11,14-15H,6-10H2,1H3,(H,20,23)/t11-,14+,15+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@H]2C[NH+](CC3)C)S(=O)(=O)C4=CN=CC=C4
InChI: InChI=1S/C18H21N3O2S/c1-13-5-6-17-15(10-13)16-12-20(2)9-7-18(16)21(17)24(22,23)14-4-3-8-19-11-14/h3-6,8,10-11,16,18H,7,9,12H2,1-2H3/p+1/t16-,18+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC(=O)NC3CCCC3
InChI: InChI=1S/C18H26N4O5/c1-11-6-2-5-9-13(11)22-16(25)15(24)21(18(22)27)10-14(23)20-17(26)19-12-7-3-4-8-12/h11-13H,2-10H2,1H3,(H2,19,20,23,26)/t11-,13-/m1/s1
SMILES: CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(Cl)Cl)O)O)N
InChI: InChI=1S/C11H14Cl2N5O4PS2/c1-25-11-16-8(14)5-9(17-11)18(3-15-5)10-7(20)6(19)4(22-10)2-21-23(12,13)24/h3-4,6-7,10,19-20H,2H2,1H3,(H2,14,16,17)/t4-,6-,7-,10-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C
InChI: InChI=1S/C18H22N4O5/c1-11-6-7-13(22(26)27)9-14(11)19-15(23)10-21-16(24)18(20-17(21)25)8-4-3-5-12(18)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,19,23)(H,20,25)/t12-,18-/m1/s1
SMILES: C[C@@]12C[C@@H]([C@@H]3[C@H]1C=C(C3=O)C(C)(C)O)[C@H]([C@H]2C(=O)OC)C(=O)OC
InChI: InChI=1S/C18H24O6/c1-17(2,22)10-6-9-11(14(10)19)8-7-18(9,3)13(16(21)24-5)12(8)15(20)23-4/h6,8-9,11-13,22H,7H2,1-5H3/t8-,9+,11+,12+,13-,18+/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)C4=CC=CC(=C4)CNC(=O)C5=CC=CC=C5)CN6CCC(CC6)(C7=CC=C(C=C7)Cl)O
InChI: InChI=1S/C44H45ClN2O5/c1-30-40(28-47-23-21-44(50,22-24-47)38-17-19-39(45)20-18-38)51-43(52-41(30)33-15-13-31(29-48)14-16-33)37-12-6-11-36(26-37)35-10-5-7-32(25-35)27-46-42(49)34-8-3-2-4-9-34/h2-20,25-26,30,40-41,43,48,50H,21-24,27-29H2,1H3,(H,46,49)/t30-,40+,41+,43+/m0/s1
SMILES: C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)CO)F)N)F
InChI: InChI=1S/C10H13F2N3O4/c11-5-1-15(10(18)14-8(5)13)9-7(12)4(2-16)6(3-17)19-9/h1,4,6-7,9,16-17H,2-3H2,(H2,13,14,18)/t4-,6-,7+,9-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCCC(=O)O)CN5CCC6(CC5)OCCO6
InChI: InChI=1S/C38H46N2O8/c1-26-33(24-40-17-15-38(16-18-40)45-19-20-46-38)47-37(48-36(26)29-13-11-27(25-41)12-14-29)32-8-3-7-31(22-32)30-6-2-5-28(21-30)23-39-34(42)9-4-10-35(43)44/h2-3,5-8,11-14,21-22,26,33,36-37,41H,4,9-10,15-20,23-25H2,1H3,(H,39,42)(H,43,44)/t26-,33+,36+,37+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H](C)[C@@H]1[C@H]2[C@H](C(=C(N2C1=O)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C#CCOC4=C(C=C(C=C4)CCOC(F)(F)F)I)C
InChI: InChI=1S/C34H38F3IN2O8Si/c1-6-49(7-2,8-3)48-22(5)29-30-21(4)26(10-9-18-45-28-16-11-23(20-27(28)38)17-19-46-34(35,36)37)31(39(30)32(29)41)33(42)47-25-14-12-24(13-15-25)40(43)44/h11-16,20-22,29-30H,6-8,17-19H2,1-5H3/t21-,22+,29+,30+/m0/s1
SMILES: CC(C)(C)[C@@H]1CC=C2[C@H](C1)[C@H](C(=C(C2(C#N)C#N)N)C#N)C3=CC=C(S3)Cl
InChI: InChI=1S/C21H21ClN4S/c1-20(2,3)12-4-5-15-13(8-12)18(16-6-7-17(22)27-16)14(9-23)19(26)21(15,10-24)11-25/h5-7,12-13,18H,4,8,26H2,1-3H3/t12-,13+,18-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC2C(NC2=O)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C19H27NO2/c1-12(2)15-10-9-13(3)11-16(15)22-18-17(20-19(18)21)14-7-5-4-6-8-14/h4-8,12-13,15-18H,9-11H2,1-3H3,(H,20,21)/t13-,15+,16-,17?,18?/m1/s1
SMILES: C1CCC(CC1)CCCCOC(=O)C2=COC(=N2)[C@@H]3[C@H]4CC[C@@H]([C@@H]3CC5=CC=CC=C5CCC(=O)OCC6=CC=CC=C6)O4
InChI: InChI=1S/C37H45NO6/c39-34(42-24-27-14-5-2-6-15-27)21-18-28-16-7-8-17-29(28)23-30-32-19-20-33(44-32)35(30)36-38-31(25-43-36)37(40)41-22-10-9-13-26-11-3-1-4-12-26/h2,5-8,14-17,25-26,30,32-33,35H,1,3-4,9-13,18-24H2/t30-,32-,33+,35-/m0/s1
SMILES: CN1[C@H]2C[C@@H]([C@@H]([C@@H]1[C@@H](C2)O)C(=O)OC)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9-,10+,13+,14-,15-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(O[C@H]3C[C@@H](O[C@@H]3CO[Si](C)(C)C(C)(C)C)N4C=C(C(=O)NC4=O)C)O[C@]5([C@H](O[C@H]6[C@@H]5OC(O6)(C)C)CNC(C)C)CC#N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C45H75N6O14PSi2/c1-26(2)47-21-33-45(17-18-46,36-39(60-33)62-44(11,12)61-36)65-66(56-24-31-30(64-68(15,16)43(8,9)10)20-35(58-31)51-23-28(4)38(53)49-41(51)55)63-29-19-34(50-22-27(3)37(52)48-40(50)54)59-32(29)25-57-67(13,14)42(5,6)7/h22-23,26,29-36,39,47H,17,19-21,24-25H2,1-16H3,(H,48,52,54)(H,49,53,55)/t29-,30-,31+,32+,33+,34+,35+,36-,39+,45-,66?/m0/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H](N(C(=O)N2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5)C(CC7=CC=CC=C7)N=[N+]=[N-])O
InChI: InChI=1S/C41H37N5O2/c42-44-43-37(25-29-11-3-1-4-12-29)39-40(47)38(26-30-13-5-2-6-14-30)45(27-31-19-21-33-15-7-9-17-35(33)23-31)41(48)46(39)28-32-20-22-34-16-8-10-18-36(34)24-32/h1-24,37-40,47H,25-28H2/t37?,38-,39-,40+/m1/s1
SMILES: CCC[C@]1([C@]2([C@@]1([C@@]3([NH+]=C2N)OC[C@@H](O3)C)C#N)C#N)C
InChI: InChI=1S/C14H18N4O2/c1-4-5-11(3)12(7-15)10(17)18-14(13(11,12)8-16)19-6-9(2)20-14/h9H,4-6H2,1-3H3,(H2,17,18)/p+1/t9-,11-,12-,13+,14+/m0/s1
SMILES: COC1=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=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)CC7=CC=CC=C7)O
InChI: InChI=1S/C34H27Cl2FN2O6/c1-45-26-15-19(7-14-25(26)40)28-22-12-13-23-27(30(42)38(29(23)41)17-18-5-3-2-4-6-18)24(22)16-33(35)31(43)39(32(44)34(28,33)36)21-10-8-20(37)9-11-21/h2-12,14-15,23-24,27-28,40H,13,16-17H2,1H3/t23-,24+,27-,28-,33+,34-/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)CNC(=O)C4=NC5=CC=CC=C5N=C4)CN6CCC[C@H]6CN7CCCC7
InChI: InChI=1S/C38H45N5O4/c1-26-35(24-43-20-6-7-31(43)23-42-18-4-5-19-42)46-38(47-36(26)29-14-12-28(25-44)13-15-29)30-16-10-27(11-17-30)21-40-37(45)34-22-39-32-8-2-3-9-33(32)41-34/h2-3,8-17,22,26,31,35-36,38,44H,4-7,18-21,23-25H2,1H3,(H,40,45)/t26-,31+,35+,36+,38+/m1/s1
SMILES: C1=CC=C(C=C1)N2[C@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C23H16FN3O5/c24-15-9-11-16(12-10-15)25-22(28)19-20(14-5-4-8-18(13-14)27(30)31)26(32-21(19)23(25)29)17-6-2-1-3-7-17/h1-13,19-21H/t19-,20-,21+/m0/s1
SMILES: C1COC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC(=CC=C3)CO[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCCO1)O)O)O)O)O)O
InChI: InChI=1S/C24H36O13/c25-17-15-11-32-6-4-31-5-7-33-12-16-18(26)20(28)22(30)24(37-16)35-10-14-3-1-2-13(8-14)9-34-23(36-15)21(29)19(17)27/h1-3,8,15-30H,4-7,9-12H2/t15-,16-,17+,18+,19+,20+,21-,22-,23-,24-/m1/s1
SMILES: C[C@]12CCC[C@@H]1[C@@H]3CC[C@@H]([C@@]([C@@H]3CC2)(C)CCC(=O)O)CCC(=O)O
InChI: InChI=1S/C21H34O4/c1-20-11-3-4-16(20)15-7-5-14(6-8-18(22)23)21(2,13-10-19(24)25)17(15)9-12-20/h14-17H,3-13H2,1-2H3,(H,22,23)(H,24,25)/t14-,15+,16-,17-,20-,21-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=[N+](C=C3N)C)CO)C.[I-]
InChI: InChI=1S/C12H20N3O4.HI/c1-12(2)18-9-7(5-16)17-11(10(9)19-12)15-6-14(3)4-8(15)13;/h4,6-7,9-11,16H,5,13H2,1-3H3;1H/q+1;/p-1/t7-,9-,10-,11-;/m1./s1
SMILES: CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C23H31N3O5/c1-3-4-8-17-9-11-18(12-10-17)24-19(27)15-31-20(28)14-26-21(29)23(25-22(26)30)13-6-5-7-16(23)2/h9-12,16H,3-8,13-15H2,1-2H3,(H,24,27)(H,25,30)/t16-,23-/m0/s1
SMILES: COC1=CC=C(C=C1)CN2[C@@H]3[C@H]([C@H](C2=O)CC3=O)Br
InChI: InChI=1S/C14H14BrNO3/c1-19-9-4-2-8(3-5-9)7-16-13-11(17)6-10(12(13)15)14(16)18/h2-5,10,12-13H,6-7H2,1H3/t10-,12+,13+/m1/s1
SMILES: CC[C@@]12CCC[N+]3([C@@H]1[C@@]4(CC3)C5=CC=CC=C5NC4=C(C2)C(=O)OC)C
InChI: InChI=1S/C22H28N2O2/c1-4-21-10-7-12-24(2)13-11-22(20(21)24)16-8-5-6-9-17(16)23-18(22)15(14-21)19(25)26-3/h5-6,8-9,20H,4,7,10-14H2,1-3H3/p+1/t20-,21-,22-,24?/m0/s1
SMILES: COC1=CC=C(C=C1)C2([C@H]3[C@H]4[C@H]5[C@@]2([C@@H]6[C@H]5[C@]4(C7([C@@H]63)OCCO7)Br)OC=O)C8=CC=C(C=C8)OC
InChI: InChI=1S/C27H25BrO6/c1-30-16-7-3-14(4-8-16)24(15-5-9-17(31-2)10-6-15)18-19-21-20-22(26(21,24)34-13-29)23(18)27(25(19,20)28)32-11-12-33-27/h3-10,13,18-23H,11-12H2,1-2H3/t18-,19-,20-,21+,22+,23+,25+,26-/m0/s1
SMILES: C1[C@@H]([C@@H](CS1(=O)=O)O)N2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C19H18N2O5S/c22-16-12-27(25,26)11-15(16)21-17(23)19(20-18(21)24,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,22H,11-12H2,(H,20,24)/t15-,16+/m0/s1
SMILES: C[C@H]1CC[C@H]2C[C@@H](OC(=O)CC3C[C@H](C[C@H](O3)C[C@@H](C[C@H]1O2)OC)O)C=CCC(C)C
InChI: InChI=1S/C25H42O6/c1-16(2)6-5-7-19-12-20-9-8-17(3)24(30-20)14-21(28-4)13-22-10-18(26)11-23(29-22)15-25(27)31-19/h5,7,16-24,26H,6,8-15H2,1-4H3/t17-,18-,19-,20-,21-,22-,23?,24+/m0/s1
SMILES: C/C(=C\CCC(=C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)OC(=O)C)/C=O
InChI: InChI=1S/C20H30O9/c1-12(6-5-7-13(2)10-21)8-9-26-20-19(28-15(4)23)18(25)17(24)16(29-20)11-27-14(3)22/h7,10,16-20,24-25H,1,5-6,8-9,11H2,2-4H3/b13-7+/t16-,17-,18+,19-,20-/m1/s1
SMILES: CC[C@@](C)([C@H](CO)O)OC1=C(C=CC(=C1)[C@@H]2[C@H](N=C(O2)C3=CC=C(C=C3)OC)C(=O)OC)OCC4=CC=CC=C4
InChI: InChI=1S/C31H35NO8/c1-5-31(2,26(34)18-33)40-25-17-22(13-16-24(25)38-19-20-9-7-6-8-10-20)28-27(30(35)37-4)32-29(39-28)21-11-14-23(36-3)15-12-21/h6-17,26-28,33-34H,5,18-19H2,1-4H3/t26-,27-,28+,31-/m0/s1
SMILES: COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O)O)O
InChI: InChI=1S/C25H24O14/c1-35-16-4-10(2-3-13(16)27)24-17(7-12-14(28)5-11(26)6-15(12)37-24)38-25-23(34)22(33)21(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,21-23,25,32-34H,8-9H2,1H3,(H3-,26,27,28,29,30)/p+1/t18-,21-,22+,23-,25-/m1/s1
SMILES: C1C[C@H]2[C@@H]3CCC4=CC=CC=C4[C@H]3[C@@H]5C[C@@]2([C@@H]1CC=O)OC5=O
InChI: InChI=1S/C20H22O3/c21-10-9-13-6-8-17-15-7-5-12-3-1-2-4-14(12)18(15)16-11-20(13,17)23-19(16)22/h1-4,10,13,15-18H,5-9,11H2/t13-,15-,16-,17-,18+,20-/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2[C@H]3CCCC[C@]3(CCN2C(=O)C4=CC=CC=C4)O)OC
InChI: InChI=1S/C24H29NO4/c1-28-18-11-12-19(21(16-18)29-2)22-20-10-6-7-13-24(20,27)14-15-25(22)23(26)17-8-4-3-5-9-17/h3-5,8-9,11-12,16,20,22,27H,6-7,10,13-15H2,1-2H3/t20-,22+,24-/m1/s1
SMILES: C[C@H]1[C@@H](C[C@@H]2C[C@@H](NC(=O)N2[C@@H]1COCC3=CC=C(C=C3)Br)[C@@H](C4=CC(=NC(=N4)OC)OC)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C30H45BrN4O6Si/c1-18-24(17-40-16-19-9-11-20(31)12-10-19)35-21(14-25(18)36)13-22(33-29(35)37)27(41-42(7,8)30(2,3)4)23-15-26(38-5)34-28(32-23)39-6/h9-12,15,18,21-22,24-25,27,36H,13-14,16-17H2,1-8H3,(H,33,37)/t18-,21+,22-,24-,25-,27+/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)C(=CC(=O)[C@]4([C@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C40H39NO6/c1-39(2,3)41-37(45)28-19-18-26-30(34(28)38(41)46)22-31-36(44)29(24-12-6-4-7-13-24)23-33(43)40(31,25-14-8-5-9-15-25)35(26)27-16-10-11-17-32(27)47-21-20-42/h4-18,23,28,30-31,34-35,42H,19-22H2,1-3H3/t28-,30+,31-,34-,35+,40-/m0/s1
SMILES: CC1=CC(=C(N1CCC2=CC=C(C=C2)Cl)C)C(=O)COC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C25H30ClNO3/c1-16-11-23(17(2)27(16)10-9-18-4-7-22(26)8-5-18)24(28)15-30-25(29)14-21-13-19-3-6-20(21)12-19/h4-5,7-8,11,19-21H,3,6,9-10,12-15H2,1-2H3/t19-,20+,21-/m0/s1
SMILES: CC[C@H](CCC(C)[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)C(C)C
InChI: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20?,21-,23-,24+,25-,26+,27+,28+,29-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1[C@H]2[C@@H](COC(O2)C3=CC=CC=C3)OC([C@H]1N=[N+]=[N-])O[N+](=O)[O-]
InChI: InChI=1S/C22H34N4O7Si/c1-13(2)34(14(3)4,15(5)6)33-20-18(24-25-23)22(32-26(27)28)30-17-12-29-21(31-19(17)20)16-10-8-7-9-11-16/h7-11,13-15,17-22H,12H2,1-6H3/t17-,18+,19-,20-,21?,22?/m1/s1
SMILES: C1=CC=C(C=C1)C23C=CC([C@@H]4[C@@H]2C(=O)N(C4=O)C5=CC=CC=C5[N+](=O)[O-])[C@@H]6[C@@H]3C(=O)N(C6=O)C7=CC=CC=C7[N+](=O)[O-]
InChI: InChI=1S/C30H20N4O8/c35-26-22-17-14-15-30(16-8-2-1-3-9-16,24(22)28(37)31(26)18-10-4-6-12-20(18)33(39)40)25-23(17)27(36)32(29(25)38)19-11-5-7-13-21(19)34(41)42/h1-15,17,22-25H/t17?,22-,23-,24-,25-,30?/m1/s1
SMILES: CCC=CC(=O)N(CC1=COC=C1)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C27H33IN2O8/c1-3-4-5-24(33)30(14-17-6-9-37-16-17)21-12-19(27(35)29-7-8-31)13-22(25(21)34)38-26-20(28)10-18(15-32)11-23(26)36-2/h4-6,9-11,13,16,21-22,25,31-32,34H,3,7-8,12,14-15H2,1-2H3,(H,29,35)/t21-,22+,25+/m1/s1
SMILES: CC1=C(C=CC2=C1NC(=O)[C@@]23[C@H]4[C@@H]([C@H](N3)CCC(=O)N)C(=O)N(C4=O)C5=CC(=C(C=C5)Cl)Cl)Cl
InChI: InChI=1S/C23H19Cl3N4O4/c1-9-12(24)5-3-11-19(9)28-22(34)23(11)18-17(15(29-23)6-7-16(27)31)20(32)30(21(18)33)10-2-4-13(25)14(26)8-10/h2-5,8,15,17-18,29H,6-7H2,1H3,(H2,27,31)(H,28,34)/t15-,17-,18+,23+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C(F)(F)F)CO)O
InChI: InChI=1S/C10H12F3N3O4/c11-10(12,13)4-2-16(9(19)15-8(4)14)7-1-5(18)6(3-17)20-7/h2,5-7,17-18H,1,3H2,(H2,14,15,19)/t5-,6+,7+/m0/s1
SMILES: CC1=CC2=C(C3=C([C@@H]([C@H]2O)O)C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC(=C5)OC)O)OC)C(=C1C(=O)N[C@H](C)C(=O)O)O
InChI: InChI=1S/C29H25NO12/c1-8-5-11-16(23(34)14(8)28(38)30-9(2)29(39)40)17-19(26(37)22(11)33)27(42-4)20-18(25(17)36)21(32)12-6-10(41-3)7-13(31)15(12)24(20)35/h5-7,9,22,26,31,33-34,36-37H,1-4H3,(H,30,38)(H,39,40)/t9-,22+,26+/m1/s1