EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@H](O4)CO)O)O)O)N
InChI: InChI=1S/C15H21N5O8/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(25)11(6(2-22)26-14)28-15-9(24)8(23)5(1-21)27-15/h3-6,8-11,14-15,21-25H,1-2H2,(H2,16,17,18)/t5-,6-,8+,9+,10+,11+,14-,15+/m1/s1
SMILES: C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)N)O)O)N)C#N
InChI: InChI=1S/C12H15N7O5S/c13-1-5-3-19(11-7(5)10(14)16-4-17-11)12-9(21)8(20)6(24-12)2-18-25(15,22)23/h3-4,6,8-9,12,18,20-21H,2H2,(H2,14,16,17)(H2,15,22,23)/t6-,8-,9-,12-/m1/s1
SMILES: C[C@@H]1CC(=CC[C@H]1[C@@H]2OC[C@H](O2)C[N+]3(CCCCC3)C)CCC=C(C)C
InChI: InChI=1S/C23H40NO2/c1-18(2)9-8-10-20-11-12-22(19(3)15-20)23-25-17-21(26-23)16-24(4)13-6-5-7-14-24/h9,11,19,21-23H,5-8,10,12-17H2,1-4H3/q+1/t19-,21-,22-,23-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C(=NN=N3)OC4=CC=C(C=C4)N5C=CN=C5)NC(=O)NC6=CC=CC(=C6)C#N
InChI: InChI=1S/C24H21N9O4/c25-11-15-2-1-3-16(10-15)27-23(34)28-19-12-35-22-20(13-36-21(19)22)33-24(29-30-31-33)37-18-6-4-17(5-7-18)32-9-8-26-14-32/h1-10,14,19-22H,12-13H2,(H2,27,28,34)/t19-,20-,21+,22+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(CC2=C(C=C(C=C2)OC)OC)C[C@@]3(CC[C@@H]4[C@@]3(CC[C@H]5[C@]46C=C[C@@]7([C@@]5(CCC(C7)O)C)C=C6C(=O)C8=CC9=CC=CC=C9S8)C)O)C(C)C
InChI: InChI=1S/C51H65NO7S/c1-31(2)37-15-12-32(3)24-40(37)59-46(55)52(29-34-13-14-36(57-6)26-39(34)58-7)30-50(56)21-18-44-48(50,5)20-17-43-47(4)19-16-35(53)27-49(47)22-23-51(43,44)38(28-49)45(54)42-25-33-10-8-9-11-41(33)60-42/h8-11,13-14,22-23,25-26,28,31-32,35,37,40,43-44,53,56H,12,15-21,24,27,29-30H2,1-7H3/t32-,35?,37+,40-,43+,44+,47+,48-,49-,50+,51+/m0/s1
SMILES: CC1=CC(=C(C=C1)N[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)[N+](=O)[O-]
InChI: InChI=1S/C12H16N2O6/c1-6-2-3-7(8(4-6)14(18)19)13-12-11(17)10(16)9(5-15)20-12/h2-4,9-13,15-17H,5H2,1H3/t9-,10-,11-,12+/m1/s1
SMILES: CC(=C)[C@@H]1[C@@H]([C@H](N[C@@H]1C2=CC=CC=C2)C(=O)O)CC(=O)O
InChI: InChI=1S/C16H19NO4/c1-9(2)13-11(8-12(18)19)15(16(20)21)17-14(13)10-6-4-3-5-7-10/h3-7,11,13-15,17H,1,8H2,2H3,(H,18,19)(H,20,21)/t11-,13+,14+,15-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC2=NC(=C([C@H](C2C1=O)C3=CC=CC=N3)C(=O)OCC)C)C4=CC=C(C=C4)OC
InChI: InChI=1S/C28H30N2O6/c1-5-35-27(32)22-16(3)30-21-15-19(17-10-12-18(34-4)13-11-17)23(28(33)36-6-2)26(31)25(21)24(22)20-9-7-8-14-29-20/h7-14,19,23-25H,5-6,15H2,1-4H3/t19-,23-,24+,25?/m0/s1
SMILES: COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=O)N4CC[C@@]5(CCCC[C@@H]5C4)O)OC2=O
InChI: InChI=1S/C25H27NO6/c1-30-17-5-7-19-20-8-6-18(13-22(20)32-24(28)21(19)12-17)31-15-23(27)26-11-10-25(29)9-3-2-4-16(25)14-26/h5-8,12-13,16,29H,2-4,9-11,14-15H2,1H3/t16-,25-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1
SMILES: C[C@@H](CC(=O)N1[C@H]2C[C@@H]3CC[C@]2(C3(C)C)CS1(=O)=O)[C@H](C)C(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C31H40N2O4S/c1-22(17-28(34)33-27-18-26-15-16-31(27,30(26,3)4)21-38(33,36)37)23(2)29(35)32(19-24-11-7-5-8-12-24)20-25-13-9-6-10-14-25/h5-14,22-23,26-27H,15-21H2,1-4H3/t22-,23-,26-,27-,31-/m0/s1
SMILES: C[C@@H](C=C)[C@@H]([C@@H]1CC[C@H]([C@@H](C1)OC)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C18H36O3Si/c1-9-13(2)17(19)14-10-11-15(16(12-14)20-6)21-22(7,8)18(3,4)5/h9,13-17,19H,1,10-12H2,2-8H3/t13-,14+,15+,16+,17-/m0/s1
SMILES: CCCCS[C@@H]1[C@@H](C[C@@H](C(=C1OC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)OC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C30H42O5SSi/c1-8-9-20-36-28-24(29(31)32-5)21-25(33-22-16-12-10-13-17-22)26(35-37(6,7)30(2,3)4)27(28)34-23-18-14-11-15-19-23/h10-19,24-25,28H,8-9,20-21H2,1-7H3/t24-,25+,28-/m1/s1
SMILES: CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C18H25ClN2O/c1-13-16(19)7-4-8-17(13)20-18(22)12-21-10-9-14-5-2-3-6-15(14)11-21/h4,7-8,14-15H,2-3,5-6,9-12H2,1H3,(H,20,22)/p+1/t14-,15+/m0/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)OC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)O)OCC4=CC=CC=C4)N=[N+]=[N-])OCC5=CC=CC=C5)OC(=O)C
InChI: InChI=1S/C44H57N3O13Si/c1-27(2)44(4,5)61(7,8)60-43-39(56-28(3)48)36(54-25-30-20-14-10-15-21-30)37(38(59-43)41(51)52-6)58-42-33(46-47-45)35(53-24-29-18-12-9-13-19-29)34(49)32(57-42)26-55-40(50)31-22-16-11-17-23-31/h9-23,27,32-39,42-43,49H,24-26H2,1-8H3/t32-,33-,34-,35-,36+,37+,38-,39-,42-,43-/m1/s1
SMILES: CC1=CC2=C([C@@H]3[C@@H]4CC5=C(C(=C6C(=C5[C@@H](N4[C@H]([C@H](C2)N3C)C#N)CN7C(=O)C8=CC=CC9=CC(=CC(=C98)C7=O)[N+](=O)[O-])OCO6)C)OC(=O)C)C(=C1OC)O
InChI: InChI=1S/C40H35N5O10/c1-17-9-21-11-26-28(14-41)44-27(33(42(26)4)31(21)34(47)35(17)52-5)13-24-32(38-37(53-16-54-38)18(2)36(24)55-19(3)46)29(44)15-43-39(48)23-8-6-7-20-10-22(45(50)51)12-25(30(20)23)40(43)49/h6-10,12,26-29,33,47H,11,13,15-16H2,1-5H3/t26-,27-,28-,29-,33-/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)OC(=O)C)(C)OC)C)C)O)(C)O
InChI: InChI=1S/C36H66N2O13/c1-14-27-36(9,43)31(41)22(4)28(37-47-19-46-16-15-44-12)20(2)18-35(8,45-13)32(23(5)29(40)24(6)33(42)50-27)51-34-30(49-25(7)39)26(38(10)11)17-21(3)48-34/h20-24,26-27,29-32,34,40-41,43H,14-19H2,1-13H3/b37-28-/t20-,21-,22+,23+,24-,26+,27-,29+,30-,31-,32-,34+,35-,36-/m1/s1
SMILES: C[C@]12CC(=O)C3=C([C@@H]4CC[C@@]3([C@@H]1CCCC25OCCO5)O4)CCC6(OCCO6)C
InChI: InChI=1S/C23H32O6/c1-20-14-16(24)19-15(5-8-21(2)25-10-11-26-21)17-6-9-22(19,29-17)18(20)4-3-7-23(20)27-12-13-28-23/h17-18H,3-14H2,1-2H3/t17-,18+,20-,22-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC=C)[C@@H]3CCCO3)O
InChI: InChI=1S/C16H21NO5/c1-3-6-22-16(20)14-10(12-5-4-7-21-12)8-11-13(9(2)18)15(19)17(11)14/h3,9,11-13,18H,1,4-8H2,2H3/t9-,11-,12+,13-/m1/s1
SMILES: C[C@H]1CC[C@H](N(C1)C)[C@@H](C)[C@H]2C[C@@]3(C[C@@H]4[C@@H]([C@H]3C=C2)CC(=O)[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C28H45NO2/c1-17-6-9-25(29(5)16-17)18(2)19-7-8-22-21-13-26(31)23-12-20(30)10-11-28(23,4)24(21)15-27(22,3)14-19/h7-8,17-25,30H,6,9-16H2,1-5H3/t17-,18-,19+,20-,21+,22+,23+,24+,25-,27+,28-/m0/s1
SMILES: CCCCCCC/C=C/CC(CC(=O)O)C(=O)NC[C@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O
InChI: InChI=1S/C20H35NO8/c1-2-3-4-5-6-7-8-9-10-14(11-16(23)24)19(27)21-13-20(28)18(26)17(25)15(22)12-29-20/h8-9,14-15,17-18,22,25-26,28H,2-7,10-13H2,1H3,(H,21,27)(H,23,24)/b9-8+/t14?,15-,17-,18+,20+/m1/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C
InChI: InChI=1S/C17H21NO5/c1-10(2)23-16(20)12-4-6-13(7-5-12)18-15(19)9-22-17(21)14-8-11(14)3/h4-7,10-11,14H,8-9H2,1-3H3,(H,18,19)/t11-,14+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=S)NNC(=O)COC2=C(C=CC=C2C)C
InChI: InChI=1S/C19H29N3O2S/c1-12-7-6-10-16(15(12)4)20-19(25)22-21-17(23)11-24-18-13(2)8-5-9-14(18)3/h5,8-9,12,15-16H,6-7,10-11H2,1-4H3,(H,21,23)(H2,20,22,25)/t12-,15+,16+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C[C@H]6CCCO6)C(=O)[C@]78CC[C@](C7(C)C)(C(=O)O8)C)O)C(=C5)C(=O)C9=CC=CC=C9)O)C
InChI: InChI=1S/C44H57NO7/c1-37(2)40(5)19-22-44(37,52-36(40)49)35(48)45(26-30-12-9-23-51-30)27-42(50)18-15-33-39(42,4)17-14-32-38(3)16-13-29(46)24-41(38)20-21-43(32,33)31(25-41)34(47)28-10-7-6-8-11-28/h6-8,10-11,20-21,25,29-30,32-33,46,50H,9,12-19,22-24,26-27H2,1-5H3/t29?,30-,32-,33-,38-,39+,40+,41+,42-,43-,44-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)Cl)ON2C5=CC=CC=C5
InChI: InChI=1S/C23H17ClN2O3/c24-16-10-7-13-18(14-16)25-22(27)19-20(15-8-3-1-4-9-15)26(29-21(19)23(25)28)17-11-5-2-6-12-17/h1-14,19-21H/t19-,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(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)CN6CCN(CC6)C7=NC=CC=N7
InChI: InChI=1S/C35H35N5O5/c1-23-30(21-38-16-18-39(19-17-38)35-36-14-5-15-37-35)44-34(45-31(23)25-12-10-24(22-41)11-13-25)26-6-4-7-27(20-26)40-32(42)28-8-2-3-9-29(28)33(40)43/h2-15,20,23,30-31,34,41H,16-19,21-22H2,1H3/t23-,30+,31+,34+/m1/s1
SMILES: C1=CC2=NC(=CN2C(=C1Cl)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl
InChI: InChI=1S/C12H12Cl2N2O4/c13-5-1-2-8-15-7(14)3-16(8)9(5)12-11(19)10(18)6(4-17)20-12/h1-3,6,10-12,17-19H,4H2/t6-,10-,11-,12-/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)CN4C(=O)C5=CC=CC=C5C4=O)CN6CCC7=CC(=C(C=C7C6)OC)OC
InChI: InChI=1S/C39H40N2O7/c1-24-35(22-40-17-16-29-18-33(45-2)34(46-3)19-30(29)21-40)47-39(48-36(24)27-12-10-26(23-42)11-13-27)28-14-8-25(9-15-28)20-41-37(43)31-6-4-5-7-32(31)38(41)44/h4-15,18-19,24,35-36,39,42H,16-17,20-23H2,1-3H3/t24-,35+,36+,39+/m1/s1
SMILES: CN1[C@H]([C@@H](N(C1C2=CN(C=C[C@H]2N3C=CC4=CC=CC=C43)C(=O)OC)C)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C32H32N4O2/c1-33-29(24-13-6-4-7-14-24)30(25-15-8-5-9-16-25)34(2)31(33)26-22-35(32(37)38-3)20-19-28(26)36-21-18-23-12-10-11-17-27(23)36/h4-22,28-31H,1-3H3/t28-,29+,30+/m1/s1
SMILES: C[C@@]12CCCC([C@H]1CCC3=C2C=C(C=C3)OC)(C(=O)OC)C(=O)OC
InChI: InChI=1S/C20H26O5/c1-19-10-5-11-20(17(21)24-3,18(22)25-4)16(19)9-7-13-6-8-14(23-2)12-15(13)19/h6,8,12,16H,5,7,9-11H2,1-4H3/t16-,19-/m0/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]1[C@H]([C@@H]2O)NC3=C(C(=NC(=N3)N)Cl)N)O)CO
InChI: InChI=1S/C12H18ClN5O3/c13-10-6(14)11(18-12(15)17-10)16-7-4-1-3(9(7)21)5(2-19)8(4)20/h3-5,7-9,19-21H,1-2,14H2,(H3,15,16,17,18)/t3-,4-,5-,7-,8-,9-/m1/s1
SMILES: CN1CC[C@]23[C@H]4[C@]5(C=C[C@]2([C@H]1CC6=C3C(=C(C=C6)O)O4)C[C@@]57CCC[C@@H]7O)OC
InChI: InChI=1S/C24H29NO4/c1-25-11-10-23-18-14-5-6-15(26)19(18)29-20(23)24(28-2)9-8-21(23,16(25)12-14)13-22(24)7-3-4-17(22)27/h5-6,8-9,16-17,20,26-27H,3-4,7,10-13H2,1-2H3/t16-,17+,20+,21-,22-,23+,24+/m1/s1
SMILES: CC#CC[C@@H]1[C@@H]([C@H](OCC/C(=C\C[C@H](NC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C2=COC(=N2)C)/C)/C)C)O
InChI: InChI=1S/C29H42N2O6/c1-8-9-10-23-27(34)20(4)36-14-13-18(2)11-12-24(19(3)15-22-17-37-21(5)30-22)31-26(33)16-25(32)29(6,7)28(23)35/h11,15,17,20,23-25,27,32,34H,10,12-14,16H2,1-7H3,(H,31,33)/b18-11-,19-15+/t20-,23-,24+,25+,27-/m1/s1
SMILES: C[C@@H]1[C@@H]2CC(C[C@@H]2[C@H](C1=O)O[C@@H]3CCCC[C@H]3C4=CC=CC=C4)(C)C
InChI: InChI=1S/C23H32O2/c1-15-18-13-23(2,3)14-19(18)22(21(15)24)25-20-12-8-7-11-17(20)16-9-5-4-6-10-16/h4-6,9-10,15,17-20,22H,7-8,11-14H2,1-3H3/t15-,17+,18+,19+,20-,22-/m1/s1
SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@H]2C(=O)C[C@]4([C@@H]3CC[C@]45[C@]6(COCO6)OCO5)C
InChI: InChI=1S/C23H32O6/c1-20-7-5-15(24)9-14(20)3-4-16-17-6-8-22(21(17,2)10-18(25)19(16)20)23(29-13-27-22)11-26-12-28-23/h14,16-17,19H,3-13H2,1-2H3/t14-,16+,17-,19+,20+,21+,22-,23+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(C(C/C=C/CCCCCCCCCCC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C60H103NO17/c1-10-12-14-16-18-20-22-24-25-26-27-28-29-31-33-35-37-39-41-53(73-46(5)64)59(69)61-51(55(74-47(6)65)52(72-45(4)63)40-38-36-34-32-30-23-21-19-17-15-13-11-2)42-71-60-58(77-50(9)68)57(76-49(8)67)56(75-48(7)66)54(78-60)43-70-44(3)62/h36,38,51-58,60H,10-35,37,39-43H2,1-9H3,(H,61,69)/b38-36+/t51?,52?,53?,54-,55?,56-,57+,58-,60-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CON3C(=O)C4=CC=CC=C4C3=O)O
InChI: InChI=1S/C17H15N3O7/c21-11-7-14(19-6-5-13(22)18-17(19)25)27-12(11)8-26-20-15(23)9-3-1-2-4-10(9)16(20)24/h1-6,11-12,14,21H,7-8H2,(H,18,22,25)/t11-,12+,14+/m0/s1
SMILES: CC1=C(C[C@@]2(C=CC(=O)N([C@@H]2C1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C
InChI: InChI=1S/C19H20N2O7S/c1-12-10-16-19(11-13(12)2,18(23)28-3)9-8-17(22)20(16)29(26,27)15-6-4-14(5-7-15)21(24)25/h4-9,16H,10-11H2,1-3H3/t16-,19-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC([C@H]2COC(O2)(C)C)NC(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)NC(=O)OC)OC(=O)C)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C31H52Cl3N3O14Si/c1-15-20(35-28(42)44-14-31(32,33)34)22(47-17(3)38)23(48-18(4)39)26(46-15)49-25(19-13-45-30(8,9)50-19)37-24(40)21(36-27(41)43-10)16(2)51-52(11,12)29(5,6)7/h15-16,19-23,25-26H,13-14H2,1-12H3,(H,35,42)(H,36,41)(H,37,40)/t15-,16+,19+,20+,21-,22+,23+,25?,26-/m0/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)OC(=O)C)O
InChI: InChI=1S/C15H28O6/c1-3-4-5-6-7-8-9-19-15-13(18)14(21-11(2)16)12(17)10-20-15/h12-15,17-18H,3-10H2,1-2H3/t12-,13-,14+,15-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](C2(Cl)Cl)C(=O)NC3=CC(=CC=C3)Br
InChI: InChI=1S/C16H12BrCl2NO/c17-11-7-4-8-12(9-11)20-15(21)14-13(16(14,18)19)10-5-2-1-3-6-10/h1-9,13-14H,(H,20,21)/t13-,14+/m1/s1
SMILES: C[C@]12CCC(=O)C[C@@H]1CCC3[C@@]2([C@H](C[C@]4(C3CC5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F
InChI: InChI=1S/C24H35FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h13,15-17,19,26,28H,5-12H2,1-4H3/t13-,15?,16?,17-,19?,21-,22-,23-,24+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC[C@H](C(=O)N2CCC[C@H]2C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C36H56N10O17S/c1-16(47)59-14-24-28(60-17(2)48)29(61-18(3)49)30(62-19(4)50)35(63-24)64-15-22(34(58)46-10-6-8-23(46)31(38)55)45-33(57)21(11-27(53)54)44-26(52)13-42-32(56)20(43-25(51)12-37)7-5-9-41-36(39)40/h20-24,28-30,35H,5-15,37H2,1-4H3,(H2,38,55)(H,42,56)(H,43,51)(H,44,52)(H,45,57)(H,53,54)(H4,39,40,41)/t20-,21-,22+,23-,24+,28+,29-,30+,35-/m0/s1
SMILES: CO[C@@H]1[C@@H](N(C1=O)C2=CC=C(C=C2)OC)[C@@H](CC3=CCCC3)O
InChI: InChI=1S/C18H23NO4/c1-22-14-9-7-13(8-10-14)19-16(17(23-2)18(19)21)15(20)11-12-5-3-4-6-12/h5,7-10,15-17,20H,3-4,6,11H2,1-2H3/t15-,16+,17-/m1/s1
SMILES: CC(=O)NCCN1C(=O)[C@@H]2[C@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI: InChI=1S/C22H20N2O3/c1-12(25)23-10-11-24-21(26)19-17-13-6-2-3-7-14(13)18(20(19)22(24)27)16-9-5-4-8-15(16)17/h2-9,17-20H,10-11H2,1H3,(H,23,25)/t17?,18?,19-,20+
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C13H14N2O7/c16-5-10-11(17)12(18)13(22-10)21-9-4-14-8-2-1-6(15(19)20)3-7(8)9/h1-4,10-14,16-18H,5H2/t10-,11-,12-,13-/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)CCC(=O)O)CN4CCCCC4
InChI: InChI=1S/C28H36N2O6/c1-19-24(17-30-15-3-2-4-16-30)35-28(36-27(19)21-7-5-20(18-31)6-8-21)22-9-11-23(12-10-22)29-25(32)13-14-26(33)34/h5-12,19,24,27-28,31H,2-4,13-18H2,1H3,(H,29,32)(H,33,34)/t19-,24+,27+,28+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H](NC=C2C(=O)C3=CC=C(C=C3)Cl)C4=NC(=CS4)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C27H20ClN3O4S/c1-35-21-12-6-17(7-13-21)24-22(26(32)18-2-8-19(28)9-3-18)14-29-25(24)27-30-23(15-36-27)16-4-10-20(11-5-16)31(33)34/h2-15,24-25,29H,1H3/t24-,25+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H]([NH2+][C@@H]([C@@H](C1=O)C(=O)OCC)C2=CN=CC=C2)C3=CN=CC=C3
InChI: InChI=1S/C21H23N3O5/c1-3-28-20(26)15-17(13-7-5-9-22-11-13)24-18(14-8-6-10-23-12-14)16(19(15)25)21(27)29-4-2/h5-12,15-18,24H,3-4H2,1-2H3/p+1/t15-,16-,17-,18+/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@]2(C3=C(C=CC(=C3)F)N(C2=O)C)N4[C@@H]1CCC4
InChI: InChI=1S/C18H21FN2O3/c1-3-24-16(22)12-10-18(21-8-4-5-14(12)21)13-9-11(19)6-7-15(13)20(2)17(18)23/h6-7,9,12,14H,3-5,8,10H2,1-2H3/t12-,14+,18-/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)COS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C35H35F3O8S/c36-35(37,38)47(39,40)45-25-30-31(41-21-26-13-5-1-6-14-26)32(42-22-27-15-7-2-8-16-27)33(43-23-28-17-9-3-10-18-28)34(46-30)44-24-29-19-11-4-12-20-29/h1-20,30-34H,21-25H2/t30-,31-,32+,33-,34-/m1/s1
SMILES: [B-](F)(F)(F)F.C[C@@]12[C@H]3CC[C@H]4[C@@H]1[C@H]5CC[C@@H]2N6[NH+]3N4CN56
InChI: InChI=1S/C12H18N4.BF4/c1-12-9-4-2-7-11(12)8-3-5-10(12)16-14(8)6-13(7)15(9)16;2-1(3,4)5/h7-11H,2-6H2,1H3;/q;-1/p+1/t7-,8+,9+,10-,11+,12-;
SMILES: C[C@]12CC[C@H](C[C@H]1CC(=O)[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
InChI: InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12+,13-,14-,17-,18-,19-/m0/s1
SMILES: C1=CC=C(C=C1)[C@]2([C@@H]([C@@H](C(=C(N2)S)C#N)C3=CC=CC=C3Br)[N+]4=CC=CC=C4)O
InChI: InChI=1S/C23H18BrN3OS/c24-19-12-6-5-11-17(19)20-18(15-25)22(29)26-23(28,16-9-3-1-4-10-16)21(20)27-13-7-2-8-14-27/h1-14,20-21,26,28H/p+1/t20-,21-,23-/m1/s1
SMILES: CCCCCCCCCCCCCCCCOC[C@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC
InChI: InChI=1S/C26H52O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32-19-21(31-2)20-33-26-25(30)24(29)23(28)22(18-27)34-26/h21-30H,3-20H2,1-2H3/t21-,22-,23-,24+,25+,26+/m1/s1
SMILES: C[C@@]1([C@@H](N(C1=O)/N=C/C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)OCC4=CC=CC=C4
InChI: InChI=1S/C26H26N2O4/c1-26(32-18-20-7-5-4-6-8-20)24(21-11-15-23(31-3)16-12-21)28(25(26)29)27-17-19-9-13-22(30-2)14-10-19/h4-17,24H,18H2,1-3H3/b27-17+/t24-,26-/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-])C(C)C
InChI: InChI=1S/C20H27NO7/c1-13(2)15-9-8-14(3)10-18(15)28-20(23)12-27-19(22)11-26-17-7-5-4-6-16(17)21(24)25/h4-7,13-15,18H,8-12H2,1-3H3/t14-,15-,18-/m1/s1
SMILES: C1C[C@@H]([C@H](C[C@@H]1N=C=S)N(CCP(=O)(O)O)CCP(=O)(O)O)N(CCP(=O)(O)O)CCP(=O)(O)O
InChI: InChI=1S/C15H33N3O12P4S/c19-31(20,21)7-3-17(4-8-32(22,23)24)14-2-1-13(16-12-35)11-15(14)18(5-9-33(25,26)27)6-10-34(28,29)30/h13-15H,1-11H2,(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t13-,14+,15+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC=C2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C5=CC=CC=C5)C)C
InChI: InChI=1S/C36H54O2/c1-24(2)12-11-13-25(3)28-17-18-29-27-16-19-31-34(4,5)32(38-33(37)26-14-9-8-10-15-26)21-23-36(31,7)30(27)20-22-35(28,29)6/h8-10,14-15,18,24-25,27-28,30-32H,11-13,16-17,19-23H2,1-7H3/t25-,27+,28+,30+,31+,32+,35-,36-/m1/s1
SMILES: CCCCC[C@@H]1[C@H](C=C(C=[N+]1CC2=CC=CC=C2)CCCC)CCCC.[Cl-]
InChI: InChI=1S/C25H40N.ClH/c1-4-7-11-18-25-24(17-9-6-3)19-23(14-8-5-2)21-26(25)20-22-15-12-10-13-16-22;/h10,12-13,15-16,19,21,24-25H,4-9,11,14,17-18,20H2,1-3H3;1H/q+1;/p-1/t24-,25+;/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)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN5CCC6=CC(=C(C=C6C5)OC)OC
InChI: InChI=1S/C41H47N3O8/c1-26-37(24-44-18-17-30-21-35(48-2)36(49-3)22-32(30)23-44)51-40(52-38(26)29-15-13-28(25-45)14-16-29)31-11-8-12-33(20-31)42-41(47)43-34(39(46)50-4)19-27-9-6-5-7-10-27/h5-16,20-22,26,34,37-38,40,45H,17-19,23-25H2,1-4H3,(H2,42,43,47)/t26-,34-,37+,38+,40+/m0/s1
SMILES: C[C@H]1C=C([C@@H]2[C@H]([C@H]1CO[C@H]2C3=CC=C(C=C3)N(C)C)C)C
InChI: InChI=1S/C19H27NO/c1-12-10-13(2)18-14(3)17(12)11-21-19(18)15-6-8-16(9-7-15)20(4)5/h6-10,12,14,17-19H,11H2,1-5H3/t12-,14-,17-,18+,19-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[P@](=O)(C2=CC=CC=C2)NC3=CC=CC=C3F)C(C)C
InChI: InChI=1S/C22H29FNO2P/c1-16(2)19-14-13-17(3)15-22(19)26-27(25,18-9-5-4-6-10-18)24-21-12-8-7-11-20(21)23/h4-12,16-17,19,22H,13-15H2,1-3H3,(H,24,25)/t17-,19+,22-,27-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-22,24-25,28,30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,24+,25+,26+,27-/m1/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-]
InChI: InChI=1S/C14H21N3O7S/c1-5-25-14-11(16-17-15)13(23-9(4)20)12(22-8(3)19)10(24-14)6-21-7(2)18/h10-14H,5-6H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1
SMILES: C1CCC(C1)C(=O)N2CC[C@H]3[C@H]2C(=O)N4C[C@H](C[C@@H]4C(=O)N3)NC(=O)C5=CC=CO5
InChI: InChI=1S/C21H26N4O5/c26-18-15-10-13(22-19(27)16-6-3-9-30-16)11-25(15)21(29)17-14(23-18)7-8-24(17)20(28)12-4-1-2-5-12/h3,6,9,12-15,17H,1-2,4-5,7-8,10-11H2,(H,22,27)(H,23,26)/t13-,14-,15+,17-/m0/s1
SMILES: C1C[C@H]2C=C[C@H]1[C@@H]3[C@@H]2C(=O)N(C3=O)/N=C\C4=CC=C(O4)C5=CC(=CC=C5)C(=O)O
InChI: InChI=1S/C22H18N2O5/c25-20-18-12-4-5-13(7-6-12)19(18)21(26)24(20)23-11-16-8-9-17(29-16)14-2-1-3-15(10-14)22(27)28/h1-5,8-13,18-19H,6-7H2,(H,27,28)/b23-11-/t12-,13-,18-,19-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C45CC5)C
InChI: InChI=1S/C19H19NO2/c1-10-3-4-12(9-11(10)2)20-17(21)15-13-5-6-14(16(15)18(20)22)19(13)7-8-19/h3-6,9,13-16H,7-8H2,1-2H3/t13-,14+,15-,16+
SMILES: CC(C)C(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@H]3[C@@]1(O[C@@](CC3=O)(C)C=C)C)C)O
InChI: InChI=1S/C24H38O6/c1-9-22(6)12-14(25)17-23(7)15(26)10-11-21(4,5)18(23)16(27)19(24(17,8)30-22)29-20(28)13(2)3/h9,13,15-19,26-27H,1,10-12H2,2-8H3/t15-,16-,17+,18-,19-,22-,23+,24-/m0/s1
SMILES: CC[C@H]1[C@H]2C[C@]2(C[C@@H]1O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C(=O)OC
InChI: InChI=1S/C26H34O3Si/c1-6-21-22-17-26(22,24(27)28-5)18-23(21)29-30(25(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-23H,6,17-18H2,1-5H3/t21-,22+,23-,26+/m0/s1
SMILES: C/C=C/[C@@H]1[C@@H]([C@H](C[C@@H](O1)[C@H](COC(=O)C(C)(C)C)O)OCC2=CC=C(C=C2)OC)C
InChI: InChI=1S/C24H36O6/c1-7-8-20-16(2)21(28-14-17-9-11-18(27-6)12-10-17)13-22(30-20)19(25)15-29-23(26)24(3,4)5/h7-12,16,19-22,25H,13-15H2,1-6H3/b8-7+/t16-,19-,20+,21-,22+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCOC3=CC=C(C=C3)[N+](=O)[O-])COP(=O)(O)O)O
InChI: InChI=1S/C18H18N3O11P/c22-14-8-16(32-15(14)10-31-33(27,28)29)20-9-11(17(23)19-18(20)24)2-1-7-30-13-5-3-12(4-6-13)21(25)26/h3-6,9,14-16,22H,7-8,10H2,(H,19,23,24)(H2,27,28,29)/t14-,15+,16+/m0/s1
SMILES: CC1=CC=CC=C1N=C2N(CCS2)C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C21H25N3O3S/c1-14-6-2-5-9-17(14)22-21-23(12-13-28-21)18(25)10-11-24-19(26)15-7-3-4-8-16(15)20(24)27/h2,5-6,9,15-16H,3-4,7-8,10-13H2,1H3/t15-,16-/m0/s1
SMILES: CC(=O)O[C@H]1C[C@H]2[C@@H]([C@@H]1[NH2+]C2(C(F)(F)F)C(F)(F)F)Br
InChI: InChI=1S/C10H10BrF6NO2/c1-3(19)20-5-2-4-6(11)7(5)18-8(4,9(12,13)14)10(15,16)17/h4-7,18H,2H2,1H3/p+1/t4-,5-,6-,7+/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]([C@H]([C@H](O1)C2=C(C(=C(C=C2)OCC3=CC=CC=C3)I)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C40H39IO6/c1-28(43-24-29-14-6-2-7-15-29)37-39(45-26-31-18-10-4-11-19-31)40(46-27-32-20-12-5-13-21-32)38(47-37)33-22-23-34(35(41)36(33)42)44-25-30-16-8-3-9-17-30/h2-23,28,37-40,42H,24-27H2,1H3/t28-,37-,38-,39+,40+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](N(C2(C)C)CC=C(C)C)C(=O)C(C)C
InChI: InChI=1S/C20H35NO2/c1-13(2)10-11-21-19(18(22)14(3)4)23-17-12-15(5)8-9-16(17)20(21,6)7/h10,14-17,19H,8-9,11-12H2,1-7H3/t15-,16-,17-,19+/m1/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)F)C(=O)N(C5=O)C8=CC=C(C=C8)Br
InChI: InChI=1S/C39H31BrFN3O5/c1-21-7-12-25(13-8-21)42-44-36(47)30-20-29-27(16-17-28-33(29)37(48)43(35(28)46)26-14-10-24(40)11-15-26)34(22-9-18-32(45)31(41)19-22)39(30,38(44)49)23-5-3-2-4-6-23/h2-16,18-19,28-30,33-34,42,45H,17,20H2,1H3/t28-,29+,30-,33-,34-,39+/m0/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@@]4([C@@H]([C@H]2O1)ON([C@@H]4C(=O)O3)CC5=CC=C(C=C5)C=CCO[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)C(=O)NCC7=CC(=CC=C7)C(=O)NCCO)CCCCC
InChI: InChI=1S/C46H63N3O14/c1-3-5-7-18-45(19-8-6-4-2)61-37-32-24-46(44(57)48-25-30-11-9-13-31(23-30)41(55)47-20-21-50)39(42(56)59-32)49(63-40(46)38(37)62-45)26-29-16-14-28(15-17-29)12-10-22-58-43-36(54)35(53)34(52)33(27-51)60-43/h9-17,23,32-40,43,50-54H,3-8,18-22,24-27H2,1-2H3,(H,47,55)(H,48,57)/t32-,33-,34+,35+,36-,37+,38+,39-,40-,43+,46-/m1/s1
SMILES: C[C@H]1[C@H](OC2=CC=CC=C2O1)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl
InChI: InChI=1S/C16H13ClN2O5/c1-9-15(24-14-5-3-2-4-13(14)23-9)16(20)18-12-7-6-10(19(21)22)8-11(12)17/h2-9,15H,1H3,(H,18,20)/t9-,15-/m0/s1
SMILES: CCO[C@@H]1C[C@@]23C(=NO[C@@]2(C[C@@H](ON3O1)OCC)C(=O)OC)C4=CC=CC=C4
InChI: InChI=1S/C19H24N2O7/c1-4-24-14-11-18-16(13-9-7-6-8-10-13)20-28-19(18,17(22)23-3)12-15(25-5-2)27-21(18)26-14/h6-10,14-15H,4-5,11-12H2,1-3H3/t14-,15+,18+,19-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O[32P](=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/t33-,36+,37+,38-,39+,40-,41-/m1/s1/i64+1
SMILES: C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCF)OC(=O)C5SCCS5)C)O)F)C)F
InChI: InChI=1S/C26H31F3O6S2/c1-13-8-15-16-10-18(28)17-9-14(30)4-5-23(17,2)25(16,29)19(31)11-24(15,3)26(13,22(33)34-12-27)35-20(32)21-36-6-7-37-21/h4-5,9,13,15-16,18-19,21,31H,6-8,10-12H2,1-3H3/t13-,15?,16?,18+,19+,23+,24+,25+,26+/m1/s1
SMILES: C1CC1CNC(=O)[C@@H]2[C@H]([C@H]([C@@H](S2)N3C=NC4=C(N=C(N=C43)Cl)NCC5=CC(=CC=C5)I)O)O
InChI: InChI=1S/C21H22ClIN6O3S/c22-21-27-17(24-8-11-2-1-3-12(23)6-11)13-18(28-21)29(9-26-13)20-15(31)14(30)16(33-20)19(32)25-7-10-4-5-10/h1-3,6,9-10,14-16,20,30-31H,4-5,7-8H2,(H,25,32)(H,24,27,28)/t14-,15+,16-,20+/m0/s1