EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C26H34O7/c1-26(2,3)25(28)32-17-20-22(30-15-18-11-7-5-8-12-18)23(21(27)24(29-4)33-20)31-16-19-13-9-6-10-14-19/h5-14,20-24,27H,15-17H2,1-4H3/t20-,21+,22-,23-,24+/m1/s1
SMILES: CO[C@H]1C2=C(C=C(C=C2)O)OC[C@@]1(CC3=CC(=O)C(=CC3=O)OC)O
InChI: InChI=1S/C18H18O7/c1-23-16-7-13(20)10(5-14(16)21)8-18(22)9-25-15-6-11(19)3-4-12(15)17(18)24-2/h3-7,17,19,22H,8-9H2,1-2H3/t17-,18+/m0/s1
SMILES: CCCCC[C@@H]([C@H](C(=O)O[C@H]1C[C@]2([C@H]([C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)([C@H]([C@@H](C(=C1C)C2(C)C)OC(=O)C)O)C)OC(=O)C5=CC=CC=C5)O)O)NC(=O)OC(C)(C)C
InChI: InChI=1S/C44H63NO15/c1-11-12-14-19-27(45-39(53)60-40(5,6)7)32(49)38(52)57-28-21-44(54)36(58-37(51)26-17-15-13-16-18-26)34-42(10,29(48)20-30-43(34,22-55-30)59-25(4)47)35(50)33(56-24(3)46)31(23(28)2)41(44,8)9/h13,15-18,27-30,32-36,48-50,54H,11-12,14,19-22H2,1-10H3,(H,45,53)/t27-,28-,29-,30+,32+,33+,34-,35-,36-,42+,43-,44+/m0/s1
SMILES: CC(=O)OC[C@H]1C[C@@H]([C@H]2[C@@H]1OC(O2)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C17H32O5Si/c1-11(18)19-10-12-9-13(22-23(7,8)16(2,3)4)15-14(12)20-17(5,6)21-15/h12-15H,9-10H2,1-8H3/t12-,13+,14-,15+/m1/s1
SMILES: C1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O
InChI: InChI=1S/C10H10Cl2N4O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2/t4-,6-,7-,10-/m1/s1
SMILES: COC1C[C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OS(=O)(=O)C
InChI: InChI=1S/C14H18O7S/c1-18-13-8-11(21-22(2,16)17)12(20-13)9-19-14(15)10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3/t11-,12+,13?/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC=C3[C@@]2(CCC[C@@]3(C)CSC4=CC=CC=C4)C
InChI: InChI=1S/C25H30O3S2/c1-19-10-12-21(13-11-19)30(26,27)28-23-15-14-22-24(2,16-7-17-25(22,23)3)18-29-20-8-5-4-6-9-20/h4-6,8-14,23H,7,15-18H2,1-3H3/t23-,24-,25-/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)Cl)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)C=CC7=C(C=CC(=C7)OC)OC)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C44H39ClN2O8/c1-44-33(41(50)47(43(44)52)27-8-6-5-7-9-27)23-32-30(38(44)26-21-34(45)39(48)36(22-26)55-4)17-18-31-37(32)42(51)46(40(31)49)28-14-11-24(12-15-28)10-13-25-20-29(53-2)16-19-35(25)54-3/h5-17,19-22,31-33,37-38,48H,18,23H2,1-4H3/t31-,32+,33-,37-,38-,44+/m0/s1
SMILES: C[C@@H]1CC(=O)[C@H]([C@H]1C[N+](=O)[O-])CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C
InChI: InChI=1S/C19H21N3O6/c1-11-3-4-17-20-13(6-18(24)21(17)8-11)10-28-19(25)7-14-15(9-22(26)27)12(2)5-16(14)23/h3-4,6,8,12,14-15H,5,7,9-10H2,1-2H3/t12-,14+,15+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Br)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H21BrO6/c1-10-14(23-11(2)19)15(24-12(3)20)16(17(18)22-10)21-9-13-7-5-4-6-8-13/h4-8,10,14-17H,9H2,1-3H3/t10-,14-,15+,16+,17+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2CCC3=C2C=CC(=C3)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H26N2O11/c1-11(25)31-10-18-19(32-12(2)26)20(33-13(3)27)21(34-14(4)28)22(35-18)23-8-7-15-9-16(24(29)30)5-6-17(15)23/h5-6,9,18-22H,7-8,10H2,1-4H3/t18-,19-,20+,21-,22-/m1/s1
SMILES: CC1[C@H](C(=O)C2[C@@]13[C@H](CCCC2)C(=C(C3=O)C)C(=O)OC)C(=O)OC
InChI: InChI=1S/C19H24O6/c1-9-13(17(22)24-3)11-7-5-6-8-12-15(20)14(18(23)25-4)10(2)19(11,12)16(9)21/h10-12,14H,5-8H2,1-4H3/t10?,11-,12?,14-,19+/m1/s1
SMILES: B1(OCCCO1)[C@@H](C=C)[C@@H](C(C)(C)C)OB([C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)[C@@H]4C[C@@H]5C[C@H]([C@H]4C)C5(C)C
InChI: InChI=1S/C31H54B2O3/c1-11-25(33-34-13-12-14-35-33)28(29(4,5)6)36-32(26-17-21-15-23(19(26)2)30(21,7)8)27-18-22-16-24(20(27)3)31(22,9)10/h11,19-28H,1,12-18H2,2-10H3/t19-,20-,21+,22+,23-,24-,25+,26-,27-,28+/m1/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O
InChI: InChI=1S/C14H20N2O7/c1-14(2,3)12(20)22-6-7-9(18)10(19)11(23-7)16-5-4-8(17)15-13(16)21/h4-5,7,9-11,18-19H,6H2,1-3H3,(H,15,17,21)/t7-,9-,10-,11-/m1/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@H]([C@@H](O3)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=CC=C6Br
InChI: InChI=1S/C26H15BrClNO5/c27-17-7-3-4-8-18(17)29-24(32)19-20(25(29)33)26(34-21(19)13-9-11-14(28)12-10-13)22(30)15-5-1-2-6-16(15)23(26)31/h1-12,19-21H/t19-,20+,21+/m1/s1
SMILES: CN1[C@H]2C=C[C@]3(C1=O)[C@@H](CC[C@]34C=C[C@H]2C(=O)N4C)O
InChI: InChI=1S/C15H18N2O3/c1-16-10-4-8-15(13(16)20)11(18)5-7-14(15)6-3-9(10)12(19)17(14)2/h3-4,6,8-11,18H,5,7H2,1-2H3/t9-,10+,11-,14-,15-/m1/s1
SMILES: C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\C1)([C@H]4[C@]3(C2)C[C@H]/5N4CCCC/C=C5)O)C6=NCCC7=C6NC8=CC=CC=C78
InChI: InChI=1S/C36H46N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-15,24,26,30,34,38,41H,2-3,5-6,10-12,16-23,25H2/b4-1-,13-7-/t26-,30-,34+,35-,36-/m0/s1
SMILES: CC(C)(C)[Si]1(CCCC1)NC2=C3C(=NC=N2)N(C=N3)C4C[C@H]([C@@H](O4)CO[Si]5(CCCC5)C(C)(C)C)O[Si]6(CCCC6)C(C)(C)C
InChI: InChI=1S/C34H61N5O3Si3/c1-32(2,3)43(16-10-11-17-43)38-30-29-31(36-24-35-30)39(25-37-29)28-22-26(42-45(34(7,8)9)20-14-15-21-45)27(41-28)23-40-44(33(4,5)6)18-12-13-19-44/h24-28H,10-23H2,1-9H3,(H,35,36,38)/t26-,27+,28?/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CC2=CC(=C(C(=C2)OC)OC)OC
InChI: InChI=1S/C21H30N2O7/c1-13-7-5-6-8-15(13)22-21(26)23-18(24)12-30-19(25)11-14-9-16(27-2)20(29-4)17(10-14)28-3/h9-10,13,15H,5-8,11-12H2,1-4H3,(H2,22,23,24,26)/t13-,15+/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC(=O)C3=CCCC3)(C)C
InChI: InChI=1S/C21H32O/c1-15-10-11-19-20(2,3)12-7-13-21(19,4)17(15)14-18(22)16-8-5-6-9-16/h8,17,19H,1,5-7,9-14H2,2-4H3/t17-,19-,21+/m0/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@@]2(CCC1)C)OC(=O)[C@H]3CN(C)[C@@H](C)[C@H](C4=CC=CC=C4)O
InChI: InChI=1S/C25H35NO3/c1-16-9-8-12-25(3)14-22-19(13-21(16)25)20(24(28)29-22)15-26(4)17(2)23(27)18-10-6-5-7-11-18/h5-7,10-11,17,19-20,22-23,27H,8-9,12-15H2,1-4H3/t17-,19+,20-,22+,23+,25-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN6CCN(CC6)C(=O)C7=CC=CO7)O)C(=C5)C(=O)C8=CC(=C(C=C8)F)F)O)C
InChI: InChI=1S/C38H44F2N2O5/c1-34-10-7-25(43)21-36(34)13-14-38(26(22-36)32(44)24-5-6-27(39)28(40)20-24)30(34)8-11-35(2)31(38)9-12-37(35,46)23-41-15-17-42(18-16-41)33(45)29-4-3-19-47-29/h3-6,13-14,19-20,22,25,30-31,43,46H,7-12,15-18,21,23H2,1-2H3/t25?,30-,31-,34-,35+,36+,37-,38-/m1/s1
SMILES: CN1[C@H]([C@@H](N(C1C2=C[N+](=CC=C2)CC3=CC=CC=C3)C)C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]
InChI: InChI=1S/C29H30N3.ClH/c1-30-27(24-15-8-4-9-16-24)28(25-17-10-5-11-18-25)31(2)29(30)26-19-12-20-32(22-26)21-23-13-6-3-7-14-23;/h3-20,22,27-29H,21H2,1-2H3;1H/q+1;/p-1/t27-,28-;/m0./s1
SMILES: C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@](C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C=CC(=C5C4=O)OC)O)(C)O)OC)(C)N(C)C)O
InChI: InChI=1S/C30H35NO11/c1-12-26(36)29(2,31(4)5)11-17(41-12)42-25-19-14(27(37)30(3,38)28(25)40-7)10-13-18(23(19)34)24(35)20-15(32)8-9-16(39-6)21(20)22(13)33/h8-10,12,17,25-26,28,32,34,36,38H,11H2,1-7H3/t12-,17-,25-,26+,28+,29-,30-/m0/s1
SMILES: C[C@H]1CO[C@]2(O1)[C@@]3([C@@]([C@@]3(C(=N2)N)C#N)(C)C4=CC=C(C=C4)F)C#N
InChI: InChI=1S/C17H15FN4O2/c1-10-7-23-17(24-10)16(9-20)14(2,11-3-5-12(18)6-4-11)15(16,8-19)13(21)22-17/h3-6,10H,7H2,1-2H3,(H2,21,22)/t10-,14-,15-,16+,17-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)CCCC(=O)O
InChI: InChI=1S/C28H26BrNO9/c1-38-19-8-12(9-20(39-2)26(19)35)22-13-5-6-14-23(28(37)30(27(14)36)7-3-4-21(32)33)15(13)10-16-24(22)18(31)11-17(29)25(16)34/h5,8-9,11,14-15,22-23,35H,3-4,6-7,10H2,1-2H3,(H,32,33)/t14-,15+,22-,23-/m0/s1
SMILES: C1CCC(C1)(CC(=O)N[C@@H]2C=C(C[C@H]([C@@H]2O)O)C(=O)N[C@@H](CC3=CC=CS3)C(=O)N)CC(=O)O
InChI: InChI=1S/C23H31N3O7S/c24-21(32)16(10-14-4-3-7-34-14)26-22(33)13-8-15(20(31)17(27)9-13)25-18(28)11-23(12-19(29)30)5-1-2-6-23/h3-4,7-8,15-17,20,27,31H,1-2,5-6,9-12H2,(H2,24,32)(H,25,28)(H,26,33)(H,29,30)/t15-,16+,17-,20-/m1/s1
SMILES: CC(=O)N[C@@H]1C(=O)C[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=CC(=O)CC[C@@]34C)C
InChI: InChI=1S/C21H29NO3/c1-12(23)22-19-18(25)11-17-15-5-4-13-10-14(24)6-8-20(13,2)16(15)7-9-21(17,19)3/h10,15-17,19H,4-9,11H2,1-3H3,(H,22,23)/t15-,16+,17+,19+,20+,21-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCC3=CC=CC=C3)[C@]4([NH2+]1)C5=C(C(=CC=C5)Cl)NC4=O
InChI: InChI=1S/C22H20ClN3O3/c1-12-16-17(20(28)26(19(16)27)11-10-13-6-3-2-4-7-13)22(25-12)14-8-5-9-15(23)18(14)24-21(22)29/h2-9,12,16-17,25H,10-11H2,1H3,(H,24,29)/p+1/t12-,16+,17-,22+/m0/s1
SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1O[C@@H](CC2)CCCCCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H47NO4Si/c1-23(2,3)29-22(26)25-17-12-13-19-15-16-20(28-21(19)25)14-10-9-11-18-27-30(7,8)24(4,5)6/h19-21H,9-18H2,1-8H3/t19-,20+,21+/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)C3[C@@H]([C@@H](C2(C)C)CC1=O)OC(=O)C)O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H36O8/c1-12-18(30)9-10-26(8)21(12)22(32-14(3)27)17-11-19(31)13(2)20(25(17,6)7)23(33-15(4)28)24(26)34-16(5)29/h17-18,21-24,30H,1,9-11H2,2-8H3/t17-,18-,21?,22+,23+,24-,26+/m0/s1
SMILES: CC1=CC(=C2C(=C1)S[C@@H]([C@@H](C(=O)N2)O)C3=CC=C(C=C3)OC)C
InChI: InChI=1S/C18H19NO3S/c1-10-8-11(2)15-14(9-10)23-17(16(20)18(21)19-15)12-4-6-13(22-3)7-5-12/h4-9,16-17,20H,1-3H3,(H,19,21)/t16-,17+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC3=NC=C(O3)C4=CC=CC=C4
InChI: InChI=1S/C23H28N2O4/c1-15-7-6-10-19(16(15)2)25-13-18(11-22(25)26)23(27)28-14-21-24-12-20(29-21)17-8-4-3-5-9-17/h3-5,8-9,12,15-16,18-19H,6-7,10-11,13-14H2,1-2H3/t15-,16-,18-,19-/m1/s1
SMILES: CN1CCN([C@@H]([C@H](N(CCN(CCOCCOCC1)C)C)C2=CC=CC=C2)C3=CC=CC=C3)C
InChI: InChI=1S/C28H44N4O2/c1-29-15-17-31(3)27(25-11-7-5-8-12-25)28(26-13-9-6-10-14-26)32(4)18-16-30(2)20-22-34-24-23-33-21-19-29/h5-14,27-28H,15-24H2,1-4H3/t27-,28-/m1/s1
SMILES: CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
InChI: InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26?,30-/m1/s1
SMILES: COC1=C(C(=C2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC2=C1)OC)OC
InChI: InChI=1S/C37H40O8/c1-38-29-19-28-23-44-37-35(31(28)34(40-3)32(29)39-2)45-30(24-41-20-25-13-7-4-8-14-25)33(42-21-26-15-9-5-10-16-26)36(37)43-22-27-17-11-6-12-18-27/h4-19,30,33,35-37H,20-24H2,1-3H3/t30-,33-,35+,36+,37+/m1/s1
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)N[C@H]4CCC[C@@H]4C(=O)NO
InChI: InChI=1S/C23H25N3O5S/c1-15-13-16(19-5-2-3-7-21(19)24-15)14-31-17-9-11-18(12-10-17)32(29,30)26-22-8-4-6-20(22)23(27)25-28/h2-3,5,7,9-13,20,22,26,28H,4,6,8,14H2,1H3,(H,25,27)/t20-,22-/m0/s1
SMILES: CC1=CC=CC=C1OC2=CC=C(C=C2)NC(=O)[C@@H]3[C@@H]4C[C@@H]5[C@H]3C(=O)O[C@H]5C4
InChI: InChI=1S/C22H21NO4/c1-12-4-2-3-5-17(12)26-15-8-6-14(7-9-15)23-21(24)19-13-10-16-18(11-13)27-22(25)20(16)19/h2-9,13,16,18-20H,10-11H2,1H3,(H,23,24)/t13-,16+,18+,19-,20-/m1/s1
SMILES: COCCN1C(=O)[C@@H]2[C@@H](N[C@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)CCC(=O)O
InChI: InChI=1S/C19H21N3O6/c1-28-9-8-22-16(25)14-12(6-7-13(23)24)21-19(15(14)17(22)26)10-4-2-3-5-11(10)20-18(19)27/h2-5,12,14-15,21H,6-9H2,1H3,(H,20,27)(H,23,24)/t12-,14+,15-,19-/m0/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C5=CC=C(C=C5)N(C)C)O)C6=CC=C(C=C6)N(C)C
InChI: InChI=1S/C34H42N2O2/c1-33-21-30(22-6-11-25(12-7-22)35(2)3)32-28-17-15-27(37)20-23(28)8-16-29(32)31(33)18-19-34(33,38)24-9-13-26(14-10-24)36(4)5/h6-7,9-14,20,29-31,38H,8,15-19,21H2,1-5H3/t29-,30+,31-,33-,34+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2F)F)C(C(Br)Br)O)CO)O
InChI: InChI=1S/C13H14Br2F2O4/c14-13(15)12(20)6-1-5(7(16)2-8(6)17)10-3-9(19)11(4-18)21-10/h1-2,9-13,18-20H,3-4H2/t9-,10+,11+,12?/m0/s1
SMILES: C1CC2=C([C@H]([C@@H]1OC(=O)C3=CC=CC=C3)N)C4=C5C(=C2)C=CC6=C5C(=CC=C6)C=C4
InChI: InChI=1S/C27H21NO2/c28-26-22(30-27(29)18-5-2-1-3-6-18)14-12-20-15-19-10-9-16-7-4-8-17-11-13-21(25(20)26)24(19)23(16)17/h1-11,13,15,22,26H,12,14,28H2/t22-,26+/m1/s1
SMILES: CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,20+,22+,23-,24+,27+/m0/s1
SMILES: C/C=C\1/CN([C@H]2C[C@@H]1[C@@H](C3=C2N(C4=CC=CC=C43)C(=O)OC)C(=O)OC)CCS(=O)C5=CC=CC=C5
InChI: InChI=1S/C28H30N2O5S/c1-4-18-17-29(14-15-36(33)19-10-6-5-7-11-19)23-16-21(18)25(27(31)34-2)24-20-12-8-9-13-22(20)30(26(23)24)28(32)35-3/h4-13,21,23,25H,14-17H2,1-3H3/b18-4-/t21-,23-,25-,36?/m0/s1
SMILES: C/C=C/[C@H]([C@H](C)[C@H](C[C@H]1[C@@H](O1)CO)OCC2=CC=C(C=C2)OC)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C35H46O5Si/c1-7-14-31(40-41(35(3,4)5,29-15-10-8-11-16-29)30-17-12-9-13-18-30)26(2)32(23-33-34(24-36)39-33)38-25-27-19-21-28(37-6)22-20-27/h7-22,26,31-34,36H,23-25H2,1-6H3/b14-7+/t26-,31+,32-,33-,34-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4
InChI: InChI=1S/C23H24N2O3/c26-21(15-25-22(27)18-11-5-6-12-19(18)23(25)28)24-20-13-7-4-10-17(20)14-16-8-2-1-3-9-16/h1-4,7-10,13,18-19H,5-6,11-12,14-15H2,(H,24,26)/t18-,19-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H](CC(O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C13H24O9/c1-5-12(6(19-2)3-8(15)20-5)22-13-11(18)10(17)9(16)7(4-14)21-13/h5-18H,3-4H2,1-2H3/t5-,6-,7-,8?,9-,10+,11-,12+,13+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)[O-]
InChI: InChI=1S/C16H19NO5/c18-15(11-3-1-2-4-12(11)16(19)20)17-8-10-5-6-13-14(7-10)22-9-21-13/h5-7,11-12H,1-4,8-9H2,(H,17,18)(H,19,20)/p-1/t11-,12-/m1/s1
SMILES: CCCCCCCCN(CCCCCCCC)CCCCCCCC.C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
InChI: InChI=1S/C24H51N.C10H14N5O7P/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h4-24H2,1-3H3;2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t;4-,6-,7-,10-/m.1/s1
SMILES: C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=C2)C(F)(F)F)C3=NC(=CS3)C(C)OC)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C26H21F9N2O3S/c1-12-21(14-6-17(25(30,31)32)9-18(7-14)26(33,34)35)40-23(38)37(12)10-15-8-16(24(27,28)29)4-5-19(15)22-36-20(11-41-22)13(2)39-3/h4-9,11-13,21H,10H2,1-3H3/t12-,13?,21-/m0/s1
SMILES: CC(C)(C(Cl)(Cl)Cl)OC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)OCC(Cl)(Cl)Cl)Br)COCOCC2=CC=CC=C2)OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4
InChI: InChI=1S/C34H35BrCl6NO12P/c1-32(2,34(39,40)41)51-31(44)50-28-26(42-30(43)48-20-33(36,37)38)29(35)49-25(19-47-21-46-18-22-12-6-3-7-13-22)27(28)54-55(45,52-23-14-8-4-9-15-23)53-24-16-10-5-11-17-24/h3-17,25-29H,18-21H2,1-2H3,(H,42,43)/t25-,26-,27-,28-,29?/m1/s1
SMILES: CCCCCC(=O)N[C@H]1CNC(=O)[C@@H](N(C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C(=O)[C@@H](OC(=O)C[C@@H]([C@H](NC1=O)C(C)C)O)C(C)C)C)CC(C)C)C)CC3=CC=C(C=C3)OC
InChI: InChI=1S/C46H72N6O11/c1-11-12-13-16-37(54)48-33-25-47-44(59)35(23-30-17-19-31(62-10)20-18-30)51(9)46(61)34-15-14-21-52(34)45(60)32(22-26(2)3)49-42(57)29(8)40(56)41(28(6)7)63-38(55)24-36(53)39(27(4)5)50-43(33)58/h17-20,26-29,32-36,39,41,53H,11-16,21-25H2,1-10H3,(H,47,59)(H,48,54)(H,49,57)(H,50,58)/t29-,32-,33-,34-,35-,36-,39+,41-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1OC)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C11H15NO5/c1-4-7-6(5(2)13)10(14)12(7)8(11(15)16)9(4)17-3/h4-7,13H,1-3H3,(H,15,16)/t4-,5-,6-,7-/m1/s1
SMILES: CC1=CC(=C(C=C1)C[N@@+]23CC[C@@H](C[C@@H]2[C@H](C4=C5C=C(C=CC5=NC=C4)OC)O)[C@H](C3)C=C)C
InChI: InChI=1S/C29H35N2O2/c1-5-21-17-31(18-23-7-6-19(2)14-20(23)3)13-11-22(21)15-28(31)29(32)25-10-12-30-27-9-8-24(33-4)16-26(25)27/h5-10,12,14,16,21-22,28-29,32H,1,11,13,15,17-18H2,2-4H3/q+1/t21-,22-,28+,29-,31-/m0/s1
SMILES: CCOC(=O)N(CC1=CC=C(C=C1)OC(F)(F)F)C[C@@]2(CC[C@@H]3[C@@]2(CCC=C(CC[C@@H](CC4=CC(=C3C=C4)C(=O)C5=CC(=CC=C5)C(F)(F)F)O)C)C)O
InChI: InChI=1S/C41H45F6NO6/c1-4-53-37(51)48(24-27-11-15-32(16-12-27)54-41(45,46)47)25-39(52)20-18-35-33-17-13-28(21-31(49)14-10-26(2)7-6-19-38(35,39)3)22-34(33)36(50)29-8-5-9-30(23-29)40(42,43)44/h5,7-9,11-13,15-17,22-23,31,35,49,52H,4,6,10,14,18-21,24-25H2,1-3H3/t31-,35-,38-,39+/m0/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)SC2=NC3=CC=CC=C3C(=S)N2C4=CC=CC=C4
InChI: InChI=1S/C25H24N2O7S2/c1-14(28)32-20-13-31-24(22(34-16(3)30)21(20)33-15(2)29)36-25-26-19-12-8-7-11-18(19)23(35)27(25)17-9-5-4-6-10-17/h4-12,20-22,24H,13H2,1-3H3/t20-,21+,22-,24+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OP(=O)(O)O)O)O)OP(=O)(O)O)OP(=O)(O)O)O
InChI: InChI=1S/C12H26O23P4/c13-1-3-7(32-36(17,18)19)9(34-38(23,24)25)5(15)11(29-3)31-12-6(16)10(35-39(26,27)28)8(4(2-14)30-12)33-37(20,21)22/h3-16H,1-2H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)/t3-,4-,5-,6-,7-,8-,9-,10-,11-,12-/m1/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@H]4C5=C(CCN4)C6=C(N5)C=CC(=C6)O)OC)OC
InChI: InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25-,26-/m0/s1
SMILES: CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O
InChI: InChI=1S/C22H29NO5S/c1-22(2,3)12-9-10-15-16(11-12)29-19(17(15)21(27)28-4)23-18(24)13-7-5-6-8-14(13)20(25)26/h5-6,12-14H,7-11H2,1-4H3,(H,23,24)(H,25,26)/t12-,13-,14+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@]14C[C@@H]([C@@]2(C=C4)O)O)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C21H26O3/c1-19-8-7-16-15-5-4-14(24-2)11-13(15)3-6-17(16)20(19)9-10-21(19,23)18(22)12-20/h4-5,9-11,16-18,22-23H,3,6-8,12H2,1-2H3/t16-,17-,18+,19+,20+,21-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI: InChI=1S/C16H24N2O3S/c1-11-5-4-6-16(12(11)2)18-22(20,21)15-9-7-14(8-10-15)17-13(3)19/h7-12,16,18H,4-6H2,1-3H3,(H,17,19)/t11-,12-,16+/m1/s1
SMILES: CC(C)(C)O[C@H]1C[C@H]([C@@H]2[C@]1(C2)COC(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C18H24O4/c1-17(2,3)22-15-9-14(19)13-10-18(13,15)11-21-16(20)12-7-5-4-6-8-12/h4-8,13-15,19H,9-11H2,1-3H3/t13-,14-,15+,18+/m1/s1
SMILES: COC(=O)NC[C@H]1[C@]2(CCC=CC2)C3=CC4=C(C=C3CO1)OCO4
InChI: InChI=1S/C18H21NO5/c1-21-17(20)19-9-16-18(5-3-2-4-6-18)13-8-15-14(23-11-24-15)7-12(13)10-22-16/h2-3,7-8,16H,4-6,9-11H2,1H3,(H,19,20)/t16-,18+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)C2=CC=C(O2)Br)C(C)C
InChI: InChI=1S/C17H23BrO5/c1-10(2)12-5-4-11(3)8-14(12)23-16(19)9-21-17(20)13-6-7-15(18)22-13/h6-7,10-12,14H,4-5,8-9H2,1-3H3/t11-,12+,14+/m0/s1
SMILES: CCN1C(=O)C2=C(N=C1SCC(=O)N[C@@H]3CCCC[C@@H]3C)SC(=C2C)C
InChI: InChI=1S/C19H27N3O2S2/c1-5-22-18(24)16-12(3)13(4)26-17(16)21-19(22)25-10-15(23)20-14-9-7-6-8-11(14)2/h11,14H,5-10H2,1-4H3,(H,20,23)/t11-,14+/m0/s1
SMILES: CC1=CC(=C(C=C1)C)NC(=O)OCCCNC(=O)[C@H]2[C@@H](C2(C)C)C=C(Cl)Cl
InChI: InChI=1S/C20H26Cl2N2O3/c1-12-6-7-13(2)15(10-12)24-19(26)27-9-5-8-23-18(25)17-14(11-16(21)22)20(17,3)4/h6-7,10-11,14,17H,5,8-9H2,1-4H3,(H,23,25)(H,24,26)/t14-,17+/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@H]([C@@](C2=O)(CC(CO)I)F)[C@@H](CO)O
InChI: InChI=1S/C15H19FINO5/c1-23-11-4-2-10(3-5-11)18-13(12(21)8-20)15(16,14(18)22)6-9(17)7-19/h2-5,9,12-13,19-21H,6-8H2,1H3/t9?,12-,13+,15-/m1/s1
SMILES: C1CC12[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]
InChI: InChI=1S/C17H13ClN2O4/c18-11-4-1-8(7-12(11)20(23)24)19-15(21)13-9-2-3-10(14(13)16(19)22)17(9)5-6-17/h1-4,7,9-10,13-14H,5-6H2/t9-,10+,13+,14-
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C38H28ClN3O7/c39-22-9-6-10-25(19-22)41-35(45)30-20-29-26(17-18-28-32(29)36(46)40(34(28)44)23-13-15-24(16-14-23)42(48)49)33(27-11-4-5-12-31(27)43)38(30,37(41)47)21-7-2-1-3-8-21/h1-17,19,28-30,32-33,43H,18,20H2/t28-,29+,30-,32-,33+,38+/m0/s1
SMILES: CCC[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=CC=C3)ON1C4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C20H18Cl2N2O3/c1-2-6-16-17-18(27-24(16)13-9-10-14(21)15(22)11-13)20(26)23(19(17)25)12-7-4-3-5-8-12/h3-5,7-11,16-18H,2,6H2,1H3/t16-,17+,18-/m0/s1
SMILES: COC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H26N2O6S/c1-35-22-18-38-28-24(30-23(32)17-36-21-15-9-4-10-16-21)27(33)31(28)25(22)29(34)37-26(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)/t24-,28-/m1/s1
SMILES: C1=CSC=C1C2=NC3=C(N=C(N=C3N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)N
InChI: InChI=1S/C14H16N6O4S/c15-10-7-12(19-14(16)18-10)20(11(17-7)5-1-2-25-4-5)13-9(23)8(22)6(3-21)24-13/h1-2,4,6,8-9,13,21-23H,3H2,(H4,15,16,18,19)/t6-,8-,9-,13-/m1/s1
SMILES: C[C@H]1[C@H](N[C@@H](C[C@@]1(CC=C)O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C21H25NO/c1-3-14-21(23)15-19(17-10-6-4-7-11-17)22-20(16(21)2)18-12-8-5-9-13-18/h3-13,16,19-20,22-23H,1,14-15H2,2H3/t16-,19-,20-,21+/m0/s1
SMILES: CNC(=O)CCC(=O)N1C[C@@H]([C@H](C1)[NH3+])[NH3+].[Cl-].[Cl-]
InChI: InChI=1S/C9H18N4O2.2ClH/c1-12-8(14)2-3-9(15)13-4-6(10)7(11)5-13;;/h6-7H,2-5,10-11H2,1H3,(H,12,14);2*1H/t6-,7-;;/m0../s1
SMILES: CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@]2(C[C@H]2CCC3=CC=CC=C3)C(=O)O)OCC4=CC=CC5=CC=CC=C54)NC(=O)[C@H](C6CCCCC6)NC(=O)C
InChI: InChI=1S/C43H54N4O7/c1-27(2)37(45-40(50)38(44-28(3)48)31-16-8-5-9-17-31)41(51)47-25-34(54-26-32-19-12-18-30-15-10-11-20-35(30)32)23-36(47)39(49)46-43(42(52)53)24-33(43)22-21-29-13-6-4-7-14-29/h4,6-7,10-15,18-20,27,31,33-34,36-38H,5,8-9,16-17,21-26H2,1-3H3,(H,44,48)(H,45,50)(H,46,49)(H,52,53)/t33-,34-,36+,37+,38+,43+/m1/s1
SMILES: C1[C@@H]2C[C@@H]([C@@H]1C=C2)NC(=S)NC3=CC4=C(C=C3)NC=C4
InChI: InChI=1S/C16H17N3S/c20-16(19-15-8-10-1-2-11(15)7-10)18-13-3-4-14-12(9-13)5-6-17-14/h1-6,9-11,15,17H,7-8H2,(H2,18,19,20)/t10-,11-,15+/m1/s1
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@]2(C(=O)C[C@]4([C@H]3CC[C@]4(C)O)C)F
InChI: InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12,14-15,24H,4-11H2,1-3H3/t12-,14-,15-,17-,18-,19-,20-/m0/s1
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H]([C@@H]3CNC[C@@H]3CO2)C4=CC=C(C=C4)F
InChI: InChI=1S/C23H22F7NO2/c1-12(14-6-16(22(25,26)27)8-17(7-14)23(28,29)30)33-21-20(13-2-4-18(24)5-3-13)19-10-31-9-15(19)11-32-21/h2-8,12,15,19-21,31H,9-11H2,1H3/t12-,15-,19-,20+,21-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]\4([C@H]([C@@H]3CC=C2C1)CC/C4=N/O)C)C
InChI: InChI=1S/C21H31NO3/c1-13(23)25-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(22-24)21(17,3)11-9-18(16)20/h4,15-18,24H,5-12H2,1-3H3/b22-19-/t15-,16-,17-,18-,20-,21-/m0/s1
SMILES: C1=NC(=O)C2=C(C(=O)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
InChI: InChI=1S/C11H15N4O15P3/c16-7-4(1-27-32(23,24)30-33(25,26)29-31(20,21)22)28-11(8(7)17)15-3-14-5-6(15)10(19)13-2-12-9(5)18/h2-4,7-8,11,16-17H,1H2,(H,23,24)(H,25,26)(H2,20,21,22)(H,12,13,18,19)/t4-,7+,8+,11+/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](C4)N)C)C
InChI: InChI=1S/C27H49N/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17,28H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1
SMILES: C[C@@H]1C=C([C@H]2[C@H]([C@@]1(CO[C@@H]2C3=CC(=C(C=C3)OC(=O)C)OC)COC(=O)C)C)C
InChI: InChI=1S/C23H30O6/c1-13-9-14(2)23(11-27-16(4)24)12-28-22(21(13)15(23)3)18-7-8-19(29-17(5)25)20(10-18)26-6/h7-10,14-15,21-22H,11-12H2,1-6H3/t14-,15-,21+,22-,23-/m1/s1
SMILES: C1[C@@H]2C[C@H]3[C@H]1[C@H]([C@@H]2C(=O)NC4=CC=C(C=C4)OCC(=O)C5=CC=CC=C5)C(=O)O3
InChI: InChI=1S/C23H21NO5/c25-18(13-4-2-1-3-5-13)12-28-16-8-6-15(7-9-16)24-22(26)20-14-10-17-19(11-14)29-23(27)21(17)20/h1-9,14,17,19-21H,10-12H2,(H,24,26)/t14-,17+,19+,20-,21-/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=CC(=C8)NC(=S)NC9=CC1=C(C=C9)NC2=C1C[C@]1([C@H]3CC4=C5[C@]1(C2OC5=C(C=C4)O)CCN3CC1CC1)O
InChI: InChI=1S/C53H52N6O6S/c60-37-11-5-27-17-39-52(62)21-33-31-19-29(7-9-35(31)56-43(33)47-50(52,41(27)45(37)64-47)13-15-58(39)23-25-1-2-25)54-49(66)55-30-8-10-36-32(20-30)34-22-53(63)40-18-28-6-12-38(61)46-42(28)51(53,48(65-46)44(34)57-36)14-16-59(40)24-26-3-4-26/h5-12,19-20,25-26,39-40,47-48,56-57,60-63H,1-4,13-18,21-24H2,(H2,54,55,66)/t39-,40+,47-,48?,50-,51-,52+,53+/m0/s1
SMILES: C[C@@]1(C[C@H]([C@]2(C(=C1)C(=O)[C@]3([C@@]4([C@@]2(CCCC4(C)C)CO3)O)O)O)O)C=C
InChI: InChI=1S/C20H28O6/c1-5-16(4)9-12-14(22)19(24)20(25)15(2,3)7-6-8-17(20,11-26-19)18(12,23)13(21)10-16/h5,9,13,21,23-25H,1,6-8,10-11H2,2-4H3/t13-,16-,17+,18+,19+,20-/m1/s1