EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)N1C[C@H]([C@H]([C@@H]([C@H]1COC(=O)C)O[Si](C)(C)C(C)(C)C)OC(=O)C)O
InChI: InChI=1S/C18H33NO7Si/c1-11(20)19-9-15(23)17(25-13(3)22)16(14(19)10-24-12(2)21)26-27(7,8)18(4,5)6/h14-17,23H,9-10H2,1-8H3/t14-,15-,16-,17-/m1/s1
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI: InChI=1S/C45H61N4O9PSi/c1-31(2)49(32(3)4)59(55-29-15-27-46)57-40-38(56-42(48-28-26-39(50)47-43(48)51)41(40)58-60(10,11)44(5,6)7)30-54-45(33-16-13-12-14-17-33,34-18-22-36(52-8)23-19-34)35-20-24-37(53-9)25-21-35/h12-14,16-26,28,31-32,38,40-42H,15,29-30H2,1-11H3,(H,47,50,51)/t38-,40-,41-,42-,59?/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H]([C@H]4CCO)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C35H66O2Si/c1-24(2)12-11-13-25(3)28-16-17-29-26-14-15-30-27(20-23-36)32(37-38(9,10)33(4,5)6)19-22-35(30,8)31(26)18-21-34(28,29)7/h24-32,36H,11-23H2,1-10H3/t25-,26+,27+,28-,29+,30+,31+,32-,34-,35+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
InChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10+/m0/s1
SMILES: C1C=CC[C@H]([C@H]1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C(=O)O
InChI: InChI=1S/C21H18N2O3S/c24-19(15-5-1-2-6-16(15)21(25)26)22-14-11-9-13(10-12-14)20-23-17-7-3-4-8-18(17)27-20/h1-4,7-12,15-16H,5-6H2,(H,22,24)(H,25,26)/t15-,16+/m0/s1
SMILES: CC1=C([C@H]([C@@H]2C(=N1)C[C@H](CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)O)OC)C(=O)OCC(C)C
InChI: InChI=1S/C26H29NO5S/c1-14(2)13-32-26(30)23-15(3)27-18-10-17(22-6-5-9-33-22)11-20(29)25(18)24(23)16-7-8-19(28)21(12-16)31-4/h5-9,12,14,17,24-25,28H,10-11,13H2,1-4H3/t17-,24-,25-/m1/s1
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)NO
InChI: InChI=1S/C14H18N2O5S/c1-21-11-4-6-12(7-5-11)22(19,20)16-10-3-2-9(8-10)13(16)14(17)15-18/h4-7,9-10,13,18H,2-3,8H2,1H3,(H,15,17)/t9-,10+,13-/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](CCC2=COC=C2)O)C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C21H30O6/c22-16(8-7-15-11-12-27-14-15)9-10-18-17(19(23)13-20(18)24)5-3-1-2-4-6-21(25)26/h1,3,9-12,14,16-20,22-24H,2,4-8,13H2,(H,25,26)/b3-1-,10-9+/t16-,17+,18+,19-,20+/m0/s1
SMILES: C/C(=N/O)/[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C23H35NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21,26H,6-13H2,1-4H3/b24-14-/t17-,18+,19+,20+,21+,22-,23+/m0/s1
SMILES: C=CC1(CCCCCC1)[C@@H](C(=O)N2[C@@H](C[C@H]3[C@@H]2C3)C#N)N.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C17H25N3O.C2HF3O2/c1-2-17(7-5-3-4-6-8-17)15(19)16(21)20-13(11-18)9-12-10-14(12)20;3-2(4,5)1(6)7/h2,12-15H,1,3-10,19H2;(H,6,7)/t12-,13+,14+,15-;/m1./s1
SMILES: COC1=C2C3=C(C=C1)C(=O)[C@@H]4[C@]5([C@]3(CCN4CC=C)[C@@H](O2)C(=O)C=C5)O
InChI: InChI=1S/C20H19NO5/c1-3-9-21-10-8-19-14-11-4-5-13(25-2)16(14)26-18(19)12(22)6-7-20(19,24)17(21)15(11)23/h3-7,17-18,24H,1,8-10H2,2H3/t17-,18+,19+,20-/m1/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CCO)C(=O)COC)C5=CC=C(C=C5)N6CCOCC6
InChI: InChI=1S/C34H41NO5/c1-33-21-29(23-4-7-25(8-5-23)35-15-18-40-19-16-35)32-27-11-9-26(37)20-24(27)6-10-28(32)30(33)12-14-34(33,13-3-17-36)31(38)22-39-2/h4-5,7-8,20,28-30,36H,6,9-12,14-19,21-22H2,1-2H3/t28-,29+,30-,33-,34+/m0/s1
SMILES: CCOC1=CC2=C(C(=C1)OCC)[C@@]3([C@@H](C[C@H]([C@@]3(O2)C4=CC=C(C=C4)OC)C5=CC=CC=C5)O)O
InChI: InChI=1S/C28H30O6/c1-4-32-21-15-23(33-5-2)26-24(16-21)34-28(19-11-13-20(31-3)14-12-19)22(17-25(29)27(26,28)30)18-9-7-6-8-10-18/h6-16,22,25,29-30H,4-5,17H2,1-3H3/t22-,25+,27+,28-/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=C4Cl)C5=CC=C(C=C5)C#N
InChI: InChI=1S/C24H16ClN3O3/c25-18-8-4-5-9-19(18)27-23(29)20-21(16-12-10-15(14-26)11-13-16)28(31-22(20)24(27)30)17-6-2-1-3-7-17/h1-13,20-22H/t20-,21-,22+/m1/s1
SMILES: C1CCN(CC1)C2=NC3=C(N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N=CN=C3SCC5=CC=CC=C5
InChI: InChI=1S/C22H27N5O4S/c28-11-15-17(29)18(30)21(31-15)27-19-16(25-22(27)26-9-5-2-6-10-26)20(24-13-23-19)32-12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15,17-18,21,28-30H,2,5-6,9-12H2/t15-,17-,18-,21-/m1/s1
SMILES: C[C@H]1[C@@H](N([C@@H]([C@@H](C1(C#CC2=CC=CC=C2)O)C)C3=CC=CC=C3)C)C4=CC=CC=C4
InChI: InChI=1S/C28H29NO/c1-21-26(24-15-9-5-10-16-24)29(3)27(25-17-11-6-12-18-25)22(2)28(21,30)20-19-23-13-7-4-8-14-23/h4-18,21-22,26-27,30H,1-3H3/t21-,22-,26-,27+,28?/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O
InChI: InChI=1S/C26H24O13/c27-14-8-13(9-15(28)19(14)20(31)11-4-2-1-3-5-11)38-26-24(35)23(34)22(33)18(39-26)10-37-25(36)12-6-16(29)21(32)17(30)7-12/h1-9,18,22-24,26-30,32-35H,10H2/t18-,22-,23+,24-,26-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3
InChI: InChI=1S/C22H27N3O2S/c1-16-9-5-7-13-19(16)23-22(28)25-24-21(26)15-27-20-14-8-6-12-18(20)17-10-3-2-4-11-17/h2-4,6,8,10-12,14,16,19H,5,7,9,13,15H2,1H3,(H,24,26)(H2,23,25,28)/t16-,19-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]2N1C[C@H]([C@H]([C@@H]2O)O)O)O)O
InChI: InChI=1S/C8H15NO5/c10-3-1-9-2-4(11)7(13)8(14)5(9)6(3)12/h3-8,10-14H,1-2H2/t3-,4-,5-,6+,7-,8-/m1/s1
SMILES: C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=N/N)C=CC4=CC(C=C[C@]34C)O
InChI: InChI=1S/C19H26N2O/c1-18-9-7-13(22)11-12(18)3-4-14-15-5-6-17(21-20)19(15,2)10-8-16(14)18/h3-4,7,9,11,13-16,22H,5-6,8,10,20H2,1-2H3/b21-17-/t13?,14-,15-,16-,18-,19-/m0/s1
SMILES: CCC(C)(C(=O)N(C)[C@H]1CC[C@@]2(C3CC[C@]45CN([C@H]([C@H]4CC[C@H]5[C@@H]3CC=C2C1)C)C)C)OC(=O)C
InChI: InChI=1S/C30H48N2O3/c1-8-29(5,35-20(3)33)27(34)32(7)22-13-15-28(4)21(17-22)9-10-23-25(28)14-16-30-18-31(6)19(2)24(30)11-12-26(23)30/h9,19,22-26H,8,10-18H2,1-7H3/t19-,22-,23+,24+,25?,26-,28-,29?,30-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)CC6=C([C@H]5C7=CC(=C(C=C7)O)F)C(=O)C=C(C6=O)Br
InChI: InChI=1S/C38H29BrFNO7/c1-47-23-10-14-32(48-2)20(15-23)6-3-19-4-8-22(9-5-19)41-37(45)25-12-11-24-26(34(25)38(41)46)17-27-35(31(43)18-28(39)36(27)44)33(24)21-7-13-30(42)29(40)16-21/h3-11,13-16,18,25-26,33-34,42H,12,17H2,1-2H3/t25-,26+,33-,34-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CNC2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C16H23N3O3/c1-11-5-3-8-15(12(11)2)18-16(20)10-17-13-6-4-7-14(9-13)19(21)22/h4,6-7,9,11-12,15,17H,3,5,8,10H2,1-2H3,(H,18,20)/t11-,12-,15+/m1/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)S(=O)C5=CC=CC=C5)C)C(C)C
InChI: InChI=1S/C37H56O3S/c1-8-27(24(2)3)15-14-25(4)31-16-17-32-35-33(19-21-37(31,32)7)36(6)20-18-29(40-26(5)38)22-28(36)23-34(35)41(39)30-12-10-9-11-13-30/h9-13,23-25,27,29,31-35H,8,14-22H2,1-7H3/t25-,27-,29+,31-,32+,33+,34+,35+,36+,37-,41?/m1/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCCOC)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)CCOCCOCCO
InChI: InChI=1S/C28H41N3O8/c1-5-38-28-22(11-14-36-17-18-37-16-13-32)23(19-24(39-28)26(33)29-12-15-35-4)25-20(2)30(3)31(27(25)34)21-9-7-6-8-10-21/h6-10,19,22-23,28,32H,5,11-18H2,1-4H3,(H,29,33)/t22-,23+,28-/m1/s1
SMILES: CCCCCN1C[C@@H]([C@@H](C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=C3C(F)F)C(=O)NO
InChI: InChI=1S/C26H31F2N5O3/c1-2-3-6-13-32-15-19(26(35)31-36)21(16-32)30-25(34)18-11-9-17(10-12-18)14-33-22-8-5-4-7-20(22)29-24(33)23(27)28/h4-5,7-12,19,21,23,36H,2-3,6,13-16H2,1H3,(H,30,34)(H,31,35)/t19-,21+/m0/s1
SMILES: CC1=C(C(=C(C(=C1C)C)C[N+]23CC[C@@H](C[C@@H]2[C@H](C4=CC=NC5=CC=CC=C45)O)[C@H](C3)C=C)C)C.[Br-]
InChI: InChI=1S/C31H39N2O.BrH/c1-7-24-17-33(18-28-22(5)20(3)19(2)21(4)23(28)6)15-13-25(24)16-30(33)31(34)27-12-14-32-29-11-9-8-10-26(27)29;/h7-12,14,24-25,30-31,34H,1,13,15-18H2,2-6H3;1H/q+1;/p-1/t24-,25-,30+,31-,33?;/m0./s1
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@]1(C)O)C(C)(C)Cl)C(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C18H25ClO3/c1-12-15(14(17(2,3)19)10-18(12,4)21)16(20)22-11-13-8-6-5-7-9-13/h5-9,12,14-15,21H,10-11H2,1-4H3/t12-,14-,15-,18-/m1/s1
SMILES: CC(=O)OC[C@H]1C=CCON2[C@@H]1C3=C(CC2)C4=CC=CC=C4N3C
InChI: InChI=1S/C19H22N2O3/c1-13(22)23-12-14-6-5-11-24-21-10-9-16-15-7-3-4-8-17(15)20(2)19(16)18(14)21/h3-8,14,18H,9-12H2,1-2H3/t14-,18+/m1/s1
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N[C@H]3CCCC[C@H]3N)CC4=C(C=CC(=C4)F)Cl
InChI: InChI=1S/C20H24ClFN6O2/c1-26-17-16(18(29)27(2)20(26)30)28(10-11-9-12(22)7-8-13(11)21)19(25-17)24-15-6-4-3-5-14(15)23/h7-9,14-15H,3-6,10,23H2,1-2H3,(H,24,25)/t14-,15+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC(CSC2=CC=CC=C2)Cl)OC(=O)C)OC(=O)C)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C35H45ClO18S/c1-17(37)44-14-26-28(47-19(3)39)30(48-20(4)40)33(51-23(7)43)35(53-26)54-29-27(15-45-18(2)38)52-34(32(50-22(6)42)31(29)49-21(5)41)46-13-24(36)16-55-25-11-9-8-10-12-25/h8-12,24,26-35H,13-16H2,1-7H3/t24?,26-,27-,28-,29-,30+,31+,32-,33-,34-,35-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C
InChI: InChI=1S/C18H22N2O2S/c1-11-5-3-4-6-15(11)20-18(23)19-13-7-8-14-12(2)9-17(21)22-16(14)10-13/h7-11,15H,3-6H2,1-2H3,(H2,19,20,23)/t11-,15-/m1/s1
SMILES: C1[C@@H]2[C@@H]([C@H]([C@H]([C@@H](O2)[C@H](C(SC3=CC=CC=C3)SC4=CC=CC=C4)O)O)N=[N+]=[N-])O[C@H](O1)C5=CC=CC=C5
InChI: InChI=1S/C27H27N3O5S2/c28-30-29-21-22(31)25(34-20-16-33-26(35-24(20)21)17-10-4-1-5-11-17)23(32)27(36-18-12-6-2-7-13-18)37-19-14-8-3-9-15-19/h1-15,20-27,31-32H,16H2/t20-,21+,22-,23-,24+,25-,26+/m1/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)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO)C(=O)C7CC7
InChI: InChI=1S/C46H60N2O9/c1-3-21-48(45(52)32-17-18-32)41-29-39(47-57-42-16-7-10-25-53-42)37-27-33(13-5-8-22-49)36(15-6-9-23-50)43-38-28-35(55-34-14-11-12-31(26-34)30-51)19-20-40(38)56-46(41,44(37)43)54-24-4-2/h4,11-12,14,19-20,26-28,30,32-33,36,41-44,49-50H,2-3,5-10,13,15-18,21-25,29H2,1H3/t33-,36+,41-,42?,43+,44+,46+/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC[C@@]45[C@]3(C[C@H]([C@@]6([C@H]4CC(C[C@@H]6O)(C)C)C(O5)O)O)C)C)(C)C)O
InChI: InChI=1S/C30H50O5/c1-24(2)14-19-29-13-9-18-26(5)11-10-20(31)25(3,4)17(26)8-12-27(18,6)28(29,7)16-22(33)30(19,21(32)15-24)23(34)35-29/h17-23,31-34H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22+,23?,26-,27+,28-,29-,30-/m0/s1
SMILES: C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C)[C@H](C(=C)[C@@H]([C@H]([C@H](C([C@@H]3[C@H](O3)[C@@H](C2=O)C)(C)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C42H48O14/c1-21-20-42(56-27(7)46)30(31(21)50-24(4)43)32(51-25(5)44)22(2)33(52-26(6)45)35(54-39(48)28-16-12-10-13-17-28)38(55-40(49)29-18-14-11-15-19-29)41(8,9)37-34(53-37)23(3)36(42)47/h10-19,21,23,30-35,37-38H,2,20H2,1,3-9H3/t21-,23-,30+,31-,32-,33-,34+,35+,37-,38+,42+/m0/s1
SMILES: CC1=NC=C(C(=C1O)C=O)CO[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C14H19NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2-3,9,11-14,17-21H,4-5H2,1H3/t9-,11-,12+,13-,14+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=C(C=C5)OCCO)C(=O)N(C4=O)C6=CC=C(C=C6)NC7=CC=CC=C7)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C41H35ClFN3O6/c1-41-32(38(49)46(40(41)51)27-13-18-34(43)33(42)21-27)22-31-29(36(41)23-7-14-28(15-8-23)52-20-19-47)16-17-30-35(31)39(50)45(37(30)48)26-11-9-25(10-12-26)44-24-5-3-2-4-6-24/h2-16,18,21,30-32,35-36,44,47H,17,19-20,22H2,1H3/t30-,31+,32-,35-,36-,41+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC(=C3)C
InChI: InChI=1S/C21H28N4OS/c1-4-12-25-20(17-10-7-8-15(2)13-17)23-24-21(25)27-14-19(26)22-18-11-6-5-9-16(18)3/h4,7-8,10,13,16,18H,1,5-6,9,11-12,14H2,2-3H3,(H,22,26)/t16-,18+/m1/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)C(C(=O)O)NC(=O)C(C(C(COC(=O)N)O)O)N)O)O)C(=O)O
InChI: InChI=1S/C17H23N5O14/c18-5(7(24)4(23)2-35-16(19)33)12(28)20-6(15(31)32)10-8(25)9(26)13(36-10)22-1-3(14(29)30)11(27)21-17(22)34/h1,4-10,13,23-26H,2,18H2,(H2,19,33)(H,20,28)(H,29,30)(H,31,32)(H,21,27,34)/t4?,5?,6?,7?,8-,9+,10+,13+/m0/s1
SMILES: C[C@H]1[C@@H](N[C@@H](C[C@]1(C#CC2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C26H25NO/c1-20-25(23-15-9-4-10-16-23)27-24(22-13-7-3-8-14-22)19-26(20,28)18-17-21-11-5-2-6-12-21/h2-16,20,24-25,27-28H,19H2,1H3/t20-,24-,25+,26-/m0/s1
SMILES: CC1=CC(=C2C(=C1)[C@]3([C@H](C[C@@H]([NH2+]3)CC(C)C)C(=O)NC4=CC=C(C=C4)OC)C(=O)N2)C
InChI: InChI=1S/C25H31N3O3/c1-14(2)10-18-13-21(23(29)26-17-6-8-19(31-5)9-7-17)25(28-18)20-12-15(3)11-16(4)22(20)27-24(25)30/h6-9,11-12,14,18,21,28H,10,13H2,1-5H3,(H,26,29)(H,27,30)/p+1/t18-,21+,25-/m0/s1
SMILES: CCC(=O)N(CCC1=C(C=CC(=C1)OC)OC)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C30H37IN2O9/c1-5-27(36)33(10-8-19-14-21(39-2)6-7-24(19)40-3)23-15-20(30(38)32-9-11-34)16-25(28(23)37)42-29-22(31)12-18(17-35)13-26(29)41-4/h6-7,12-14,16-17,23,25,28,34,37H,5,8-11,15H2,1-4H3,(H,32,38)/t23-,25+,28+/m1/s1
SMILES: COC(=O)[C@@H]1[C@@H](N1C(=O)OCC2=CC=CC=C2)[C@@H](C(=O)OC)O
InChI: InChI=1S/C15H17NO7/c1-21-13(18)11-10(12(17)14(19)22-2)16(11)15(20)23-8-9-6-4-3-5-7-9/h3-7,10-12,17H,8H2,1-2H3/t10-,11+,12+,16?/m1/s1
SMILES: C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C20H20N2O4/c23-17(12-22-19(25)15-7-1-2-8-16(15)20(22)26)13-5-3-6-14(11-13)21-10-4-9-18(21)24/h1-3,5-6,11,15-16H,4,7-10,12H2/t15-,16+
SMILES: CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H22N2O7/c1-2-29-21(28)15-9-5-6-10-16(15)22-17(24)12-30-18(25)11-23-19(26)13-7-3-4-8-14(13)20(23)27/h3-6,9-10,13-14H,2,7-8,11-12H2,1H3,(H,22,24)/t13-,14-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H]([C@H]3C=CC4=CC=CC=C4N3[C@H]2C(=O)C5=CC=C(C=C5)Cl)[N+](=O)[O-]
InChI: InChI=1S/C26H21ClN2O4/c1-33-20-13-8-17(9-14-20)23-24(29(31)32)22-15-10-16-4-2-3-5-21(16)28(22)25(23)26(30)18-6-11-19(27)12-7-18/h2-15,22-25H,1H3/t22-,23-,24+,25-/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C22H17FN2O4/c1-29-22(28)19-17-16(18-15-5-3-2-4-12(15)10-11-24(18)19)20(26)25(21(17)27)14-8-6-13(23)7-9-14/h2-11,16-19H,1H3/t16-,17+,18+,19-/m0/s1
SMILES: C1COCCN1C2=NC3=C(N=CN=C3N2[C@H]4[C@@H]([C@H]([C@H](O4)CO)O)O)N
InChI: InChI=1S/C14H20N6O5/c15-11-8-12(17-6-16-11)20(13-10(23)9(22)7(5-21)25-13)14(18-8)19-1-3-24-4-2-19/h6-7,9-10,13,21-23H,1-5H2,(H2,15,16,17)/t7-,9+,10-,13-/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)N1C(=O)[C@@H](CC(=O)OC(C)(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C31H33NO6/c1-21-28(24-13-9-6-10-14-24)37-30(35)32(21)29(34)26(19-27(33)38-31(2,3)4)23-15-17-25(18-16-23)36-20-22-11-7-5-8-12-22/h5-18,21,26,28H,19-20H2,1-4H3/t21-,26-,28-/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N3[C@H](CC(=O)NC4=CC=CC=C43)C
InChI: InChI=1S/C21H26N4O4/c1-13-7-5-6-10-21(13)19(28)24(20(29)23-21)12-18(27)25-14(2)11-17(26)22-15-8-3-4-9-16(15)25/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,22,26)(H,23,29)/t13-,14-,21-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)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(=NC7=O)SCOC(=O)C(C)(C)C)C)OC(=O)C
InChI: InChI=1S/C49H57N4O16PS/c1-29-24-52(46(57)50-43(29)55)41-22-37(66-31(3)54)40(68-41)27-65-70(59,60)69-38-23-42(53-25-30(2)44(51-47(53)58)71-28-63-45(56)48(4,5)6)67-39(38)26-64-49(32-12-10-9-11-13-32,33-14-18-35(61-7)19-15-33)34-16-20-36(62-8)21-17-34/h9-21,24-25,37-42H,22-23,26-28H2,1-8H3,(H,59,60)(H,50,55,57)/t37-,38-,39+,40+,41+,42+/m0/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@H]3C[NH+]4CCC(CC4)[NH+]5CCCCC5
InChI: InChI=1S/C25H40N2O2/c1-18-7-6-10-25(2)16-23-20(15-22(18)25)21(24(28)29-23)17-26-13-8-19(9-14-26)27-11-4-3-5-12-27/h19-21,23H,3-17H2,1-2H3/p+2/t20-,21+,23-,25-/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)C(=O)CC3=CC4=C(C=C3)OCCO4
InChI: InChI=1S/C19H25NO3/c21-19(20-8-7-15-3-1-2-4-16(15)13-20)12-14-5-6-17-18(11-14)23-10-9-22-17/h5-6,11,15-16H,1-4,7-10,12-13H2/t15-,16-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@]2(C(=O)O[C@@H]([C@]2(/C=N/O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)O)C
InChI: InChI=1S/C43H53NO8Si2/c1-39(2,3)53(32-21-13-9-14-22-32,33-23-15-10-16-24-33)49-30-36-42(46,43(47,38(45)50-36)37-29-48-41(7,8)51-37)31-44-52-54(40(4,5)6,34-25-17-11-18-26-34)35-27-19-12-20-28-35/h9-28,31,36-37,46-47H,29-30H2,1-8H3/b44-31+/t36-,37-,42+,43+/m1/s1
SMILES: C[C@@H]1[C@@H]2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)O)O)OC
InChI: InChI=1S/C20H23NO4/c1-11-13-4-5-16(22)20(25-3)15(13)10-21-7-6-12-8-17(23)18(24-2)9-14(12)19(11)21/h4-5,8-9,11,19,22-23H,6-7,10H2,1-3H3/t11-,19+/m0/s1
SMILES: CCCCC#CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC)O)O)N
InChI: InChI=1S/C18H25N5O3S/c1-3-5-6-7-8-12-21-16(19)13-17(22-12)23(10-20-13)18-15(25)14(24)11(26-18)9-27-4-2/h10-11,14-15,18,24-25H,3-6,9H2,1-2H3,(H2,19,21,22)/t11-,14-,15-,18-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)COC(=O)C3=CC=CC=C3C4=CC=CC=C4C#N
InChI: InChI=1S/C25H26N2O3/c26-16-19-9-1-3-11-20(19)21-12-4-5-13-22(21)25(29)30-17-24(28)27-15-7-10-18-8-2-6-14-23(18)27/h1,3-5,9,11-13,18,23H,2,6-8,10,14-15,17H2/t18-,23-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)F
InChI: InChI=1S/C17H24FN3O2S/c1-10-5-4-6-14(11(10)2)19-17(24)21-20-16(22)12-7-8-15(23-3)13(18)9-12/h7-11,14H,4-6H2,1-3H3,(H,20,22)(H2,19,21,24)/t10-,11+,14+/m0/s1
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H]4[C@H]([C@H](C(O4)O)O)O
InChI: InChI=1S/C24H24O5/c25-21-20(29-23(27)22(21)26)16-28-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-23,25-27H,16H2/t20-,21-,22-,23?/m1/s1
SMILES: CC(C)NC(=O)[C@@]1(C[C@H]([C@H]([C@H](C1)OCC2=CC=CC=C2)O)O)OCC3=CC=CC=C3
InChI: InChI=1S/C24H31NO5/c1-17(2)25-23(28)24(30-16-19-11-7-4-8-12-19)13-20(26)22(27)21(14-24)29-15-18-9-5-3-6-10-18/h3-12,17,20-22,26-27H,13-16H2,1-2H3,(H,25,28)/t20-,21+,22-,24+/m1/s1
SMILES: C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(C=CC(=C3O2)Cl)OC)OC
InChI: InChI=1S/C16H15ClO5/c1-8-6-9(18)7-12(21-3)16(8)15(19)13-11(20-2)5-4-10(17)14(13)22-16/h4-5,7-8H,6H2,1-3H3/t8-,16+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4
InChI: InChI=1S/C24H27N3OS/c1-16-9-8-14-21(17(16)2)25-22(28)15-29-24-20-13-7-6-12-19(20)23(26-27-24)18-10-4-3-5-11-18/h3-7,10-13,16-17,21H,8-9,14-15H2,1-2H3,(H,25,28)/t16-,17-,21+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C2=CC=CC=C2)OP(=O)(O)O)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C27H25O11P/c28-24(18-10-4-1-5-11-18)34-17-23-21(35-25(29)19-12-6-2-7-13-19)16-22(27(37-23)38-39(31,32)33)36-26(30)20-14-8-3-9-15-20/h1-15,21-23,27H,16-17H2,(H2,31,32,33)/t21-,22+,23+,27-/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)C2=CC(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)COC6=CC(=CC(=C6)CBr)OCC7=CC=C(C=C7)[C@@H]8[C@H](OC(O8)(C)C)C9=CC(=CC(=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)C
InChI: InChI=1S/C71H67BrO10/c1-70(2)79-66(68(81-70)58-35-62(75-43-49-17-9-5-10-18-49)40-63(36-58)76-44-50-19-11-6-12-20-50)56-29-25-53(26-30-56)47-73-60-33-55(42-72)34-61(39-60)74-48-54-27-31-57(32-28-54)67-69(82-71(3,4)80-67)59-37-64(77-45-51-21-13-7-14-22-51)41-65(38-59)78-46-52-23-15-8-16-24-52/h5-41,66-69H,42-48H2,1-4H3/t66-,67-,68-,69-/m1/s1
SMILES: COC1=CC=C(C=C1)N(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C(=O)C4=CC=CO4
InChI: InChI=1S/C21H20N2O5/c1-27-15-10-8-14(9-11-15)22(21(26)18-7-4-12-28-18)13-23-19(24)16-5-2-3-6-17(16)20(23)25/h2-4,7-12,16-17H,5-6,13H2,1H3/t16-,17-/m0/s1
SMILES: CC1([C@H](N(CS1)C(=O)[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](COC4=CC=CC=C34)O)O)C(=O)NCC5=C(C=CC=C5Cl)Cl)C
InChI: InChI=1S/C34H37Cl2N3O6S/c1-34(2)30(32(43)37-17-23-24(35)12-8-13-25(23)36)39(19-46-34)33(44)26(40)16-21(15-20-9-4-3-5-10-20)31(42)38-29-22-11-6-7-14-28(22)45-18-27(29)41/h3-14,21,26-27,29-30,40-41H,15-19H2,1-2H3,(H,37,43)(H,38,42)/t21-,26+,27-,29+,30-/m1/s1
SMILES: C[C@H]1C=C(C[C@@H]2[C@@H]1C(=O)N(C2=O)CC3=CC=C(C=C3)C#N)C
InChI: InChI=1S/C18H18N2O2/c1-11-7-12(2)16-15(8-11)17(21)20(18(16)22)10-14-5-3-13(9-19)4-6-14/h3-7,12,15-16H,8,10H2,1-2H3/t12-,15+,16+/m0/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: CC[C@H](C)C[C@H](C)/C=C(\C)/[C@H]([C@@H](C)/C=C(\C)/[C@H]([C@@H](C)/C=C(\C)/[C@H]([C@@H](C)/C=C(\C)/C(=O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)OC)O)O
InChI: InChI=1S/C36H62O10/c1-12-19(2)13-20(3)14-25(8)33(46-36-32(41)31(40)34(44-11)28(18-37)45-36)26(9)16-23(6)29(38)21(4)15-22(5)30(39)24(7)17-27(10)35(42)43/h14-17,19-21,24,26,28-34,36-41H,12-13,18H2,1-11H3,(H,42,43)/b22-15+,23-16+,25-14+,27-17+/t19-,20-,21-,24-,26-,28+,29-,30+,31+,32-,33+,34+,36-/m0/s1
SMILES: CC1=C([C@@H]2CC=C[C@@H]([C@@H](C2(C)C)C=C1)O[Si](C)(C)C)OC(=O)C
InChI: InChI=1S/C19H30O3Si/c1-13-11-12-15-17(22-23(5,6)7)10-8-9-16(19(15,3)4)18(13)21-14(2)20/h8,10-12,15-17H,9H2,1-7H3/t15-,16-,17-/m0/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)Br
InChI: InChI=1S/C23H23Br2NO3/c1-13(27)20-19(26-18-10-8-17(25)9-11-18)12-23(3,29)22(14(2)28)21(20)15-4-6-16(24)7-5-15/h4-11,21-22,26,29H,12H2,1-3H3/t21-,22+,23-/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H](N1CC2=CC=CC=C2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C27H31NO4/c29-18-24-26(31-19-22-12-6-2-7-13-22)27(32-20-23-14-8-3-9-15-23)25(30)17-28(24)16-21-10-4-1-5-11-21/h1-15,24-27,29-30H,16-20H2/t24-,25+,26-,27-/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)N(N1C)C(=O)[C@@H](C)[C@@H](C2=CC=CC=C2)O)C3=CC=CC=C3
InChI: InChI=1S/C21H24N2O4/c1-14(18(24)16-10-6-4-7-11-16)20(25)23-21(26)27-19(15(2)22(23)3)17-12-8-5-9-13-17/h4-15,18-19,24H,1-3H3/t14-,15-,18-,19-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2CN3[C@H]4C[C@@H](CC[C@H]4C[C@H]3C(=O)OC)O
InChI: InChI=1S/C24H29NO6S/c1-16-7-11-20(12-8-16)32(28,29)31-23-6-4-3-5-18(23)15-25-21-14-19(26)10-9-17(21)13-22(25)24(27)30-2/h3-8,11-12,17,19,21-22,26H,9-10,13-15H2,1-2H3/t17-,19+,21-,22-/m0/s1
SMILES: C/C=C\C[Si]12[C@@H](C[C@@H](O1)[C@@H](C)C=C)[C@@H]([C@H](O2)C(C)C)C
InChI: InChI=1S/C17H30O2Si/c1-7-9-10-20-16(11-15(18-20)13(5)8-2)14(6)17(19-20)12(3)4/h7-9,12-17H,2,10-11H2,1,3-6H3/b9-7-/t13-,14-,15+,16-,17+,20?/m0/s1
SMILES: CC1=CC=CC=C1[C@H]2CC(=O)[C@@H]3[C@H](N4C(=NC=N4)NC3=C2)C5=CC=C(C=C5)OC
InChI: InChI=1S/C23H22N4O2/c1-14-5-3-4-6-18(14)16-11-19-21(20(28)12-16)22(27-23(26-19)24-13-25-27)15-7-9-17(29-2)10-8-15/h3-11,13,16,21-22H,12H2,1-2H3,(H,24,25,26)/t16-,21-,22-/m1/s1
SMILES: CC(C)(C=C)[C@H]1[C@@H](OC2=C(C=C3C=C(C(=O)OC3=C2O1)C(C)(C)C=C)OC)C4=CC(=C(C=C4)O)OC
InChI: InChI=1S/C29H32O7/c1-9-28(3,4)18-13-17-15-21(33-8)24-25(22(17)36-27(18)31)35-26(29(5,6)10-2)23(34-24)16-11-12-19(30)20(14-16)32-7/h9-15,23,26,30H,1-2H2,3-8H3/t23-,26+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)O
InChI: InChI=1S/C24H20N2O4/c1-15-7-11-17(12-8-15)25-23(28)20-21(16-9-13-19(27)14-10-16)26(30-22(20)24(25)29)18-5-3-2-4-6-18/h2-14,20-22,27H,1H3/t20-,21-,22+/m0/s1
SMILES: C1[C@H]([C@@H](C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H23NO/c26-24-22(16-19-10-4-1-5-11-19)23(21-14-8-3-9-15-21)18-25(24)17-20-12-6-2-7-13-20/h1-15,22-23H,16-18H2/t22-,23-/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)NC(=O)CCC(=O)O)CN4CC5(CC4CC(C5)(C)C)C
InChI: InChI=1S/C33H44N2O6/c1-21-27(17-35-20-33(4)16-26(35)15-32(2,3)19-33)40-31(41-30(21)23-7-5-22(18-36)6-8-23)24-9-11-25(12-10-24)34-28(37)13-14-29(38)39/h5-12,21,26-27,30-31,36H,13-20H2,1-4H3,(H,34,37)(H,38,39)/t21-,26?,27+,30+,31+,33?/m0/s1
SMILES: COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC)OC)OC
InChI: InChI=1S/C38H50O11/c1-39-24-29-31(40-2)33(41-3)35(42-4)38(49-29)47-25-30-32(44-21-26-15-9-6-10-16-26)34(45-22-27-17-11-7-12-18-27)36(37(43-5)48-30)46-23-28-19-13-8-14-20-28/h6-20,29-38H,21-25H2,1-5H3/t29-,30-,31-,32-,33+,34+,35-,36-,37+,38-/m1/s1
SMILES: CC(C)[C@H]1CC[C@@]23[C@@]1(C[C@@H](O2)CC=C3S(=O)C4=CC=CC=C4)C
InChI: InChI=1S/C20H26O2S/c1-14(2)17-11-12-20-18(23(21)16-7-5-4-6-8-16)10-9-15(22-20)13-19(17,20)3/h4-8,10,14-15,17H,9,11-13H2,1-3H3/t15-,17+,19+,20+,23?/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CCN3[C@@H]2C=CCC3)OCC4=CC=CC=C4
InChI: InChI=1S/C21H29NO/c1-21-12-10-19(23-16-17-7-3-2-4-8-17)15-18(21)11-14-22-13-6-5-9-20(21)22/h2-5,7-9,18-20H,6,10-16H2,1H3/t18-,19-,20+,21-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)C[NH+](C)CC3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C22H33N3O2/c1-16-8-6-7-13-22(16)19(26)25(20(27)23-22)15-24(5)14-17-9-11-18(12-10-17)21(2,3)4/h9-12,16H,6-8,13-15H2,1-5H3,(H,23,27)/p+1/t16-,22+/m0/s1