EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C=C(C[C@H]2[C@H]1C(=O)N(C2=O)[C@@H](CC3=CC4=CC=CC=C4N3)C(=O)O)Cl
InChI: InChI=1S/C19H17ClN2O4/c20-11-5-6-13-14(8-11)18(24)22(17(13)23)16(19(25)26)9-12-7-10-3-1-2-4-15(10)21-12/h1-5,7,13-14,16,21H,6,8-9H2,(H,25,26)/t13-,14-,16-/m0/s1
SMILES: CC/C=C/C([C@@H]1CC(C[C@H]1NC(=O)OC(C)(C)C)C(=O)OC)NC(=O)C
InChI: InChI=1S/C19H32N2O5/c1-7-8-9-15(20-12(2)22)14-10-13(17(23)25-6)11-16(14)21-18(24)26-19(3,4)5/h8-9,13-16H,7,10-11H2,1-6H3,(H,20,22)(H,21,24)/b9-8+/t13?,14-,15?,16+/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H24N2O2/c1-16-7-5-6-14-22(16)20(25)24(21(26)23-22)15-17-10-12-19(13-11-17)18-8-3-2-4-9-18/h2-4,8-13,16H,5-7,14-15H2,1H3,(H,23,26)/t16-,22+/m1/s1
SMILES: C[C@H]1[C@H]2[C@H](N(C(=O)N[C@H]2N(C(=O)N1)C)C)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C15H19N5O4/c1-8-11-12(9-4-6-10(7-5-9)20(23)24)18(2)15(22)17-13(11)19(3)14(21)16-8/h4-8,11-13H,1-3H3,(H,16,21)(H,17,22)/t8-,11-,12+,13-/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)I)C4=CC=C(C=C4)C(=O)[O-]
InChI: InChI=1S/C19H16INO2/c20-13-8-9-17-16(10-13)14-2-1-3-15(14)18(21-17)11-4-6-12(7-5-11)19(22)23/h1-2,4-10,14-15,18,21H,3H2,(H,22,23)/p-1/t14-,15+,18+/m1/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC(=O)C2[C@H](C3=C(C4=CC=CC=C4C3=O)N=C2C)C5=CC=CC=C5[N+](=O)[O-])C(C)C
InChI: InChI=1S/C30H32N2O5/c1-16(2)19-14-13-17(3)15-24(19)37-30(34)25-18(4)31-28-20-9-5-6-10-21(20)29(33)27(28)26(25)22-11-7-8-12-23(22)32(35)36/h5-12,16-17,19,24-26H,13-15H2,1-4H3/t17-,19-,24+,25?,26+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)[C@]2(C=C)O)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C22H28O3/c1-4-22(24)20(23)10-9-19-18-7-5-14-13-15(25-3)6-8-16(14)17(18)11-12-21(19,22)2/h4,6,8,13,17-19,24H,1,5,7,9-12H2,2-3H3/t17-,18-,19+,21+,22+/m1/s1
SMILES: CCN1C(=O)C2=C(N=C1N[C@@H]3CCC[C@H]3O)N(C(=N2)CC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C26H29N5O2/c1-2-30-25(33)23-24(29-26(30)27-20-14-9-15-21(20)32)31(17-19-12-7-4-8-13-19)22(28-23)16-18-10-5-3-6-11-18/h3-8,10-13,20-21,32H,2,9,14-17H2,1H3,(H,27,29)/t20-,21-/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=COC6=CC=CC=C65)CCCO
InChI: InChI=1S/C31H36N2O7/c1-2-36-31-23(7-5-15-34)24(25-19-37-26-8-4-3-6-22(25)26)17-29(40-31)30(35)33-13-11-32(12-14-33)18-21-9-10-27-28(16-21)39-20-38-27/h3-4,6,8-10,16-17,19,23-24,31,34H,2,5,7,11-15,18,20H2,1H3/t23-,24+,31-/m0/s1
SMILES: COC1=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)OCCCCCCN(CC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)COCC7=CC=CC=C7
InChI: InChI=1S/C56H63NO9/c1-59-50-33-31-49(32-34-50)41-62-52-51(43-60-38-45-23-11-5-12-24-45)66-55(54(64-40-47-27-15-7-16-28-47)53(52)63-39-46-25-13-6-14-26-46)61-36-20-3-2-19-35-57(37-44-21-9-4-10-22-44)56(58)65-42-48-29-17-8-18-30-48/h4-18,21-34,51-55H,2-3,19-20,35-43H2,1H3/t51-,52+,53+,54-,55-/m1/s1
SMILES: CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(COCC)O)O
InChI: InChI=1S/C25H37N2O4/c1-4-15-16-10-19-22-25(17-8-6-7-9-18(17)26(22)3)11-20(21(16)23(25)29)27(19,24(15)30)12-14(28)13-31-5-2/h6-9,14-16,19-24,28-30H,4-5,10-13H2,1-3H3/q+1/t14?,15-,16?,19-,20-,21?,22-,23+,24+,25?,27?/m0/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=C(C=C6)C7=CC=CC=C7)OCC=C)CCCCO)CCCCO)C(=O)C8=CC=C(C=C8)C#N
InChI: InChI=1S/C55H56N4O9/c1-3-31-65-55-51(58(2)54(62)41-19-15-37(35-56)16-20-41)34-49(57-66-36-38-17-23-43(24-18-38)59(63)64)47-32-42(13-7-9-29-60)46(14-8-10-30-61)52(53(47)55)48-33-45(27-28-50(48)68-55)67-44-25-21-40(22-26-44)39-11-5-4-6-12-39/h3-6,11-12,15-28,32-33,42,46,51-53,60-61H,1,7-10,13-14,29-31,34,36H2,2H3/t42-,46+,51-,52+,53+,55+/m0/s1
SMILES: CCCOC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)Cl)OCCC)OCCC)OCCC
InChI: InChI=1S/C18H35ClO5/c1-5-9-20-13-14-15(21-10-6-2)16(22-11-7-3)17(18(19)24-14)23-12-8-4/h14-18H,5-13H2,1-4H3/t14-,15-,16+,17+,18+/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C=CC(=C5)OC)O)C(=O)N(C4=O)C(=O)N)Cl
InChI: InChI=1S/C23H21Cl2N3O7/c1-27-19(32)22(24)8-13-10(4-5-11-15(13)18(31)28(17(11)30)21(26)34)16(23(22,25)20(27)33)12-7-9(35-2)3-6-14(12)29/h3-4,6-7,11,13,15-16,29H,5,8H2,1-2H3,(H2,26,34)/t11-,13+,15-,16+,22+,23-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@](CCCCN)(C=C)NC(=O)C2=CC=CC=C2)C(C)(C)C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C35H44N2O3/c1-5-35(21-11-12-22-36,37-32(38)27-14-7-6-8-15-27)33(39)40-31-23-25(2)17-20-30(31)34(3,4)29-19-18-26-13-9-10-16-28(26)24-29/h5-10,13-16,18-19,24-25,30-31H,1,11-12,17,20-23,36H2,2-4H3,(H,37,38)/t25-,30-,31-,35+/m1/s1
SMILES: CC(C)N(C1=NC=NC2=C1N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C(C)C)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C43H87N5O4Si4/c1-28(2)47(29(3)4)37-34-38(45-27-44-37)48(40(46-34)56(30(5)6,31(7)8)32(9)10)39-36(52-55(24,25)43(17,18)19)35(51-54(22,23)42(14,15)16)33(50-39)26-49-53(20,21)41(11,12)13/h27-33,35-36,39H,26H2,1-25H3/t33-,35-,36-,39-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)C(=CC(=O)[C@]6([C@H]5C7=CC(=C(C=C7)OC)O)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C49H42N4O6/c1-52(2)34-19-15-32(16-20-34)50-51-33-17-21-35(22-18-33)53-47(57)37-24-23-36-39(44(37)48(53)58)27-40-46(56)38(29-10-6-4-7-11-29)28-43(55)49(40,31-12-8-5-9-13-31)45(36)30-14-25-42(59-3)41(54)26-30/h4-23,25-26,28,37,39-40,44-45,54H,24,27H2,1-3H3/t37-,39+,40-,44-,45-,49-/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)CCCCCCBr)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H54BrN3O8SSi2/c1-21-18-34(27(36)33(25(21)35)17-15-13-12-14-16-31)26-24(41-45(10,11)29(5,6)7)30(22(32)20-43(37,38)42-30)23(40-26)19-39-44(8,9)28(2,3)4/h18,20,23-24,26H,12-17,19,32H2,1-11H3/t23-,24+,26-,30?/m1/s1
SMILES: CN(C)C(=O)C1=CC2=C(N1CCCNC3=C(C=C(C=C3)C(F)(F)F)Cl)C[C@@H]4[C@H]2[C@](N(C4)C(=O)C5=CC=CC=C5)(CC6=CC=C(C=C6)F)C(=O)OC
InChI: InChI=1S/C38H37ClF4N4O4/c1-45(2)35(49)32-20-28-31(46(32)17-7-16-44-30-15-12-26(19-29(30)39)38(41,42)43)18-25-22-47(34(48)24-8-5-4-6-9-24)37(33(25)28,36(50)51-3)21-23-10-13-27(40)14-11-23/h4-6,8-15,19-20,25,33,44H,7,16-18,21-22H2,1-3H3/t25-,33+,37+/m0/s1
SMILES: C1C[C@H]([C@@H](NC1)CC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)C(F)(F)F)O.Br.Br
InChI: InChI=1S/C17H18F3N3O3.2BrH/c18-17(19,20)10-3-4-13-12(6-10)16(26)23(9-22-13)8-11(24)7-14-15(25)2-1-5-21-14;;/h3-4,6,9,14-15,21,25H,1-2,5,7-8H2;2*1H/t14-,15+;;/m0../s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)O
InChI: InChI=1S/C21H20Cl2N2O4/c22-16-10-9-12(11-17(16)23)24-20(27)15-7-3-4-8-18(15)25-19(26)13-5-1-2-6-14(13)21(28)29/h3-4,7-11,13-14H,1-2,5-6H2,(H,24,27)(H,25,26)(H,28,29)/t13-,14-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=C(C=CC5=CC=CC=C54)O)C6=CC=CC=C6)C7=CC=CC=C7)[C@@H]8[C@H]1C(=O)N(C8=O)CCCCCC(=O)O
InChI: InChI=1S/C44H39NO7/c46-35-22-19-27-14-9-10-17-29(27)39(35)40-30-20-21-31-38(43(52)45(42(31)51)23-11-3-8-18-37(48)49)33(30)24-34-41(50)32(26-12-4-1-5-13-26)25-36(47)44(34,40)28-15-6-2-7-16-28/h1-2,4-7,9-10,12-17,19-20,22,25,31,33-34,38,40,46H,3,8,11,18,21,23-24H2,(H,48,49)/t31-,33+,34-,38-,40+,44-/m0/s1
SMILES: C1CN(CCC1CC2=CC=CC=C2)CCN3CCO[C@@H]([C@@H]3C4=CC=CC=C4)OCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C33H36F6N2O2/c34-32(35,36)28-20-26(21-29(22-28)33(37,38)39)23-43-31-30(27-9-5-2-6-10-27)41(17-18-42-31)16-15-40-13-11-25(12-14-40)19-24-7-3-1-4-8-24/h1-10,20-22,25,30-31H,11-19,23H2/t30-,31+/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C25H26N2O4/c28-23(11-6-16-27-24(29)21-9-4-5-10-22(21)25(27)30)26-19-12-14-20(15-13-19)31-17-18-7-2-1-3-8-18/h1-5,7-8,12-15,21-22H,6,9-11,16-17H2,(H,26,28)/t21-,22+
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CCC(=CC4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C26H32ClNO2/c1-17-4-3-11-26(2)15-24-21(14-23(17)26)22(25(29)30-24)16-28-12-9-19(10-13-28)18-5-7-20(27)8-6-18/h5-9,21-24H,1,3-4,10-16H2,2H3/p+1/t21-,22+,23+,24-,26-/m1/s1
SMILES: CCCCCN(CCCCC)CC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(C(=O)[C@]4(C(=O)C3C(=O)C2=C1O)O)C(=O)N)N(C)C)N(C)C
InChI: InChI=1S/C34H50N4O7/c1-7-9-11-13-38(14-12-10-8-2)18-20-17-23(36(3)4)21-15-19-16-22-27(37(5)6)30(41)26(33(35)44)32(43)34(22,45)31(42)24(19)29(40)25(21)28(20)39/h17,19,22,24,26-27,39,45H,7-16,18H2,1-6H3,(H2,35,44)/t19-,22-,24?,26?,27-,34-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C18H20N4O8S2/c23-21(24)15-9-3-5-11-17(15)31(27,28)19-13-7-1-2-8-14(13)20-32(29,30)18-12-6-4-10-16(18)22(25)26/h3-6,9-14,19-20H,1-2,7-8H2/t13-,14-/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2CC(=O)[C@H]3[C@@H](N4C(=NC=N4)NC3=C2)C5=CC=CC=C5)OC
InChI: InChI=1S/C23H22N4O3/c1-29-19-9-8-15(12-20(19)30-2)16-10-17-21(18(28)11-16)22(14-6-4-3-5-7-14)27-23(26-17)24-13-25-27/h3-10,12-13,16,21-22H,11H2,1-2H3,(H,24,25,26)/t16-,21+,22+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)NC(=O)[C@@H](N2C(=O)C3=CC=C(C=C3)F)CC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C23H24FN3O3/c24-16-12-10-15(11-13-16)23(30)27-19-9-5-4-8-18(19)26-22(29)20(27)14-21(28)25-17-6-2-1-3-7-17/h1-3,6-7,10-13,18-20H,4-5,8-9,14H2,(H,25,28)(H,26,29)/t18-,19-,20-/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)C(=O)CC2=C(C=C(C=C2OCC3=CC=CC=C3)C(=O)OC)[N+](=O)[O-])CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C29H39NO9Si/c1-28(2,3)40(7,8)37-18-25-26(39-29(4,5)38-25)23(31)16-21-22(30(33)34)14-20(27(32)35-6)15-24(21)36-17-19-12-10-9-11-13-19/h9-15,25-26H,16-18H2,1-8H3/t25-,26-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5F)N[C@@H]3C6=CC=CC=C6
InChI: InChI=1S/C27H25FN2O/c28-21-8-4-5-9-23(21)30-27(31)19-12-13-22-20(15-19)24-17-10-11-18(14-17)25(24)26(29-22)16-6-2-1-3-7-16/h1-9,12-13,15,17-18,24-26,29H,10-11,14H2,(H,30,31)/t17-,18+,24+,25-,26+/m0/s1
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)[C@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3
InChI: InChI=1S/C17H17NO4/c1-8(19)9-3-2-4-11(5-9)18-16(20)14-10-6-12-13(7-10)22-17(21)15(12)14/h2-5,10,12-15H,6-7H2,1H3,(H,18,20)/t10-,12+,13-,14+,15+/m1/s1
SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5[C@@]6([C@H](C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C=C)C)C(=C3CCC(=O)OC)C)CCC(=O)OC
InChI: InChI=1S/C42H44N4O8/c1-10-24-21(2)29-17-30-22(3)25(12-15-37(47)51-6)32(43-30)19-33-26(13-16-38(48)52-7)23(4)31(44-33)18-35-28-14-11-27(40(49)53-8)39(41(50)54-9)42(28,5)36(46-35)20-34(24)45-29/h10-11,14,17-20,39,44-45H,1,12-13,15-16H2,2-9H3/t39-,42-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](CC(O[C@@H]2COC(=O)C)O)OC(=O)C)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/C36H50O24/c1-14(37)47-11-24-28(23(50-17(4)40)10-27(46)56-24)59-35-34(55-22(9)45)32(53-20(7)43)30(26(58-35)13-49-16(3)39)60-36-33(54-21(8)44)31(52-19(6)42)29(51-18(5)41)25(57-36)12-48-15(2)38/h23-36,46H,10-13H2,1-9H3/t23-,24-,25-,26-,27?,28+,29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@H]4[C@H](C[C@H]([C@H]4[C@H]([C@@H]2O1)O[Si](C)(C)C(C)(C)C)[C@@H](C5=CC(=C(C=C5)OC)OCOC)O)[C@H](O3)O)C
InChI: InChI=1S/C29H46O9Si/c1-28(2,3)39(8,9)38-24-20-16(22(30)15-10-11-18(33-7)19(12-15)34-14-32-6)13-17-21(20)23(35-27(17)31)25-26(24)37-29(4,5)36-25/h10-12,16-17,20-27,30-31H,13-14H2,1-9H3/t16-,17+,20-,21+,22-,23+,24-,25-,26+,27+/m1/s1
SMILES: CCC[C@@H]1N2[C@H]3[C@H](CCN3C(=N)O1)[C@H]4CCCN4C2=O
InChI: InChI=1S/C14H22N4O2/c1-2-4-11-18-12-9(6-8-17(12)13(15)20-11)10-5-3-7-16(10)14(18)19/h9-12,15H,2-8H2,1H3/t9-,10-,11-,12+/m1/s1
SMILES: COC1=C(C=C(C=C1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])O
InChI: InChI=1S/C15H17NO5/c1-21-13-7-6-9(8-12(13)17)16-14(18)10-4-2-3-5-11(10)15(19)20/h2-3,6-8,10-11,17H,4-5H2,1H3,(H,16,18)(H,19,20)/p-1/t10-,11+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br)C(=O)O
InChI: InChI=1S/C22H16BrNO3/c23-15-10-12-16(13-11-15)24-20(14-6-2-1-3-7-14)19(22(26)27)17-8-4-5-9-18(17)21(24)25/h1-13,19-20H,(H,26,27)/t19-,20-/m1/s1
SMILES: C[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)OCC3=CC=CC=C3)NC(=O)C)C[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)O)O
InChI: InChI=1S/C29H45NO12/c1-13-23(33)26(36)17(9-20-27(37)28(38)24(34)14(2)41-20)19(40-13)10-18-22(30-15(3)32)29(42-21(11-31)25(18)35)39-12-16-7-5-4-6-8-16/h4-8,13-14,17-29,31,33-38H,9-12H2,1-3H3,(H,30,32)/t13-,14-,17-,18+,19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29-/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H]([C@@H]1F)O)O)O)O
InChI: InChI=1S/C7H13FO5/c1-13-7-2(8)3(9)4(10)5(11)6(7)12/h2-7,9-12H,1H3/t2-,3+,4+,5-,6+,7+/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)F
InChI: InChI=1S/C20H19FO6/c1-24-20-16(21)17(27-19(23)14-10-6-3-7-11-14)15(26-20)12-25-18(22)13-8-4-2-5-9-13/h2-11,15-17,20H,12H2,1H3/t15-,16+,17-,20+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]([C@H]2[C@H](OC(O2)(C)C)C=C3SCCCS3)O)C
InChI: InChI=1S/C16H26O5S2/c1-15(2)18-9-11(20-15)13(17)14-10(19-16(3,4)21-14)8-12-22-6-5-7-23-12/h8,10-11,13-14,17H,5-7,9H2,1-4H3/t10-,11-,13-,14-/m1/s1
SMILES: CCCCCCCOCC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)I
InChI: InChI=1S/C33H45IN2O5Si/c1-5-6-7-8-15-20-39-23-25-22-36(32(38)35-31(25)37)30-21-28(34)29(41-30)24-40-42(33(2,3)4,26-16-11-9-12-17-26)27-18-13-10-14-19-27/h9-14,16-19,22,28-30H,5-8,15,20-21,23-24H2,1-4H3,(H,35,37,38)/t28-,29-,30+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H](C)[C@@H]1[C@H](NC1=O)[C@@H](C)C(=O)COC(=O)OCC(C)C
InChI: InChI=1S/C20H37NO6Si/c1-8-28(9-2,10-3)27-15(7)17-18(21-19(17)23)14(6)16(22)12-26-20(24)25-11-13(4)5/h13-15,17-18H,8-12H2,1-7H3,(H,21,23)/t14-,15+,17+,18+/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)CNS(=O)(=O)C4=CC=CC=C4)CSC5=NN=C(S5)C
InChI: InChI=1S/C29H31N3O5S3/c1-19-26(18-38-29-32-31-20(2)39-29)36-28(37-27(19)23-12-10-22(17-33)11-13-23)24-14-8-21(9-15-24)16-30-40(34,35)25-6-4-3-5-7-25/h3-15,19,26-28,30,33H,16-18H2,1-2H3/t19-,26+,27+,28+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC(=C(C(=C6)OC)O)OC)C(=O)N(C5=O)C7CCN(CC7)CC8=CC=CC=C8)C(=O)N(C3=O)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C47H46Cl2N4O8/c1-59-31-12-9-28(10-13-31)47-35(44(56)53(46(47)58)50-37-16-11-29(48)23-36(37)49)24-34-32(41(47)27-21-38(60-2)42(54)39(22-27)61-3)14-15-33-40(34)45(57)52(43(33)55)30-17-19-51(20-18-30)25-26-7-5-4-6-8-26/h4-14,16,21-23,30,33-35,40-41,50,54H,15,17-20,24-25H2,1-3H3/t33-,34+,35-,40-,41-,47+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@]4([C@@]3(C[C@@H]([C@H](C4)O)CC=C)C)O)C
InChI: InChI=1S/C30H52O2/c1-7-9-22-18-29(6)26-15-16-28(5)24(21(4)11-8-10-20(2)3)12-13-25(28)23(26)14-17-30(29,32)19-27(22)31/h7,20-27,31-32H,1,8-19H2,2-6H3/t21-,22+,23+,24-,25+,26+,27+,28-,29-,30-/m1/s1
SMILES: CC(=O)N=C1N([C@@H]2[C@H](S1)CO[C@@H]([C@H]2OC(=O)C)OCC3=CC=CC=C3)N(C4=CC=CC=C4)C(=O)C
InChI: InChI=1S/C25H27N3O6S/c1-16(29)26-25-28(27(17(2)30)20-12-8-5-9-13-20)22-21(35-25)15-33-24(23(22)34-18(3)31)32-14-19-10-6-4-7-11-19/h4-13,21-24H,14-15H2,1-3H3/t21-,22-,23+,24+/m1/s1
SMILES: CC(C)OC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-]
InChI: InChI=1S/C22H25NO5S/c1-13(2)28-22(27)18-17(14-8-4-3-5-9-14)12-29-20(18)23-19(24)15-10-6-7-11-16(15)21(25)26/h3-5,8-9,12-13,15-16H,6-7,10-11H2,1-2H3,(H,23,24)(H,25,26)/p-1/t15-,16-/m1/s1
SMILES: C[C@H](C(=O)CCC(C)C)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)CC7=CC=C(C=C7)OC)OC(=O)C)O
InChI: InChI=1S/C48H70O15/c1-25(2)8-15-35(51)26(3)48(56)38(22-34-32-14-11-29-21-30(50)16-18-46(29,5)33(32)17-19-47(34,48)6)61-45-43(60-27(4)49)41(37(53)24-59-45)63-44-42(40(55)36(52)23-58-44)62-39(54)20-28-9-12-31(57-7)13-10-28/h9-13,25-26,30,32-34,36-38,40-45,50,52-53,55-56H,8,14-24H2,1-7H3/t26-,30+,32-,33+,34+,36?,37?,38+,40?,41?,42?,43?,44?,45?,46+,47+,48-/m1/s1
SMILES: CN[C@H]1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1OC)O)N)O)O
InChI: InChI=1S/C8H18N2O4/c1-10-4-7(13)5(11)3(9)6(12)8(4)14-2/h3-8,10-13H,9H2,1-2H3/t3-,4+,5-,6+,7-,8-/m1/s1
SMILES: CC[C@H]1CCC[C@@H]([C@H](C(=O)[C@@H]2C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[Si](C)(C)C(C)(C)C)C)O
InChI: InChI=1S/C30H50O5Si/c1-8-20-10-9-11-27(31)18(2)29(33)26-16-24-22(25(26)17-28(32)34-20)13-12-19-14-21(15-23(19)24)35-36(6,7)30(3,4)5/h12-13,18-27,31H,8-11,14-17H2,1-7H3/t18-,19-,20+,21-,22-,23-,24-,25+,26-,27+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](N(C(=O)N[C@H]2N(C(=O)N1)C)C)C3=CC=CC=C3
InChI: InChI=1S/C15H20N4O2/c1-9-11-12(10-7-5-4-6-8-10)18(2)15(21)17-13(11)19(3)14(20)16-9/h4-9,11-13H,1-3H3,(H,16,20)(H,17,21)/t9-,11-,12+,13+/m1/s1
SMILES: [B-][P+]([O-])(OC)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C(=O)NC5=O)C
InChI: InChI=1S/C32H34BN2O9P/c1-21-19-35(31(37)34-30(21)36)29-18-27(44-45(33,38)41-4)28(43-29)20-42-32(22-8-6-5-7-9-22,23-10-14-25(39-2)15-11-23)24-12-16-26(40-3)17-13-24/h5-17,19,27-29H,18,20H2,1-4H3,(H,34,36,37)/q-1/t27-,28+,29+,45?/m0/s1
SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O[C@H]4[C@@H]([C@@H]([C@@H]([C@@H](O4)C(=O)[O-])O)O)O)O
InChI: InChI=1S/C21H18O11/c22-9-6-11(8-4-2-1-3-5-8)30-18-13(9)10(23)7-12(14(18)24)31-21-17(27)15(25)16(26)19(32-21)20(28)29/h1-7,15-17,19,21,23-27H,(H,28,29)/p-1/t15-,16+,17-,19-,21-/m1/s1
SMILES: C1CCN2[C@H]3CCNC[C@H]3C4=CC(=CC(=C42)C1)C5=C(C(=CC=C5)Cl)Cl
InChI: InChI=1S/C21H22Cl2N2/c22-18-6-3-5-15(20(18)23)14-10-13-4-1-2-9-25-19-7-8-24-12-17(19)16(11-14)21(13)25/h3,5-6,10-11,17,19,24H,1-2,4,7-9,12H2/t17-,19-/m0/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]3CC[C@@H](C[C@@H]3C2)CCO)C
InChI: InChI=1S/C18H30O2/c1-12(20)17-6-5-16-10-15-9-13(7-8-19)3-4-14(15)11-18(16,17)2/h13-17,19H,3-11H2,1-2H3/t13-,14-,15-,16+,17-,18+/m1/s1
SMILES: C1CC2=NC3=C(C=CC(=C3)C(=O)NNC(=O)C[C@@H]4C[C@H]5CC[C@H]4C5)C(=O)N2C1
InChI: InChI=1S/C21H24N4O3/c26-19(11-15-9-12-3-4-13(15)8-12)23-24-20(27)14-5-6-16-17(10-14)22-18-2-1-7-25(18)21(16)28/h5-6,10,12-13,15H,1-4,7-9,11H2,(H,23,26)(H,24,27)/t12-,13-,15-/m0/s1
SMILES: COC1=C2C(=C(C=C1)Cl)[C@H]3C=CC[C@@H]3[C@@H](N2)C4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C19H16Cl3NO/c1-24-16-8-7-14(21)17-11-3-2-4-12(11)18(23-19(16)17)10-5-6-13(20)15(22)9-10/h2-3,5-9,11-12,18,23H,4H2,1H3/t11-,12-,18-/m0/s1
SMILES: CC[C@@H](C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)[C@H]3[C@H](O3)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CC)NC(=O)N(C)CC6=CC=CC=N6)NC(=O)N(C)CC7=CC=CC=N7
InChI: InChI=1S/C50H56N8O5/c1-5-41(55-49(61)57(3)31-39-19-11-13-25-51-39)47(59)53-43(29-33-21-23-35-15-7-9-17-37(35)27-33)45-46(63-45)44(30-34-22-24-36-16-8-10-18-38(36)28-34)54-48(60)42(6-2)56-50(62)58(4)32-40-20-12-14-26-52-40/h7-28,41-46H,5-6,29-32H2,1-4H3,(H,53,59)(H,54,60)(H,55,61)(H,56,62)/t41-,42-,43-,44-,45-,46+/m0/s1
SMILES: CCCCC[C@@H](CCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H]([C@@H](O[C@H]1O[C@@H]2[C@H]([C@@H]([C@H](OC2O)COC(=O)C)O)O)C)OC(=O)[C@H](C)[C@@H](C)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)O
InChI: InChI=1S/C41H72O19/c1-7-8-14-17-26(44)18-15-12-10-9-11-13-16-19-28(45)57-37-36(60-40-33(50)31(48)29(46)23(4)54-40)34(58-38(51)21(2)22(3)42)24(5)55-41(37)59-35-32(49)30(47)27(56-39(35)52)20-53-25(6)43/h21-24,26-27,29-37,39-42,44,46-50,52H,7-20H2,1-6H3/t21-,22-,23+,24+,26+,27-,29+,30-,31-,32+,33-,34+,35-,36-,37-,39?,40+,41+/m1/s1
SMILES: CC(C)(CCCCCC[C@@]12CCC[C@H]1/C(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)/CCC2)O
InChI: InChI=1S/C27H44O3/c1-20-22(18-23(28)19-25(20)29)13-12-21-10-8-16-27(17-9-11-24(21)27)15-7-5-4-6-14-26(2,3)30/h12-13,23-25,28-30H,1,4-11,14-19H2,2-3H3/b21-12+,22-13-/t23-,24+,25+,27-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@@H]1C2=CC=CC=C2)CN3C=CC(=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H21NO/c1-23-21-19(20(21)17-10-6-3-7-11-17)15-22-13-12-18(14-22)16-8-4-2-5-9-16/h2-14,19-21H,15H2,1H3/t19-,20-,21+/m0/s1
SMILES: CC(=O)N[C@]12CC3([C@H]4[C@H]([C@H]1O)O[C@H]([C@H]2O)O4)SCCCS3
InChI: InChI=1S/C13H19NO5S2/c1-6(15)14-12-5-13(20-3-2-4-21-13)10-7(8(12)16)18-11(19-10)9(12)17/h7-11,16-17H,2-5H2,1H3,(H,14,15)/t7-,8+,9+,10+,11-,12+/m0/s1
SMILES: CC(C)(C)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H]4[C@H]3C(=NO4)C5=C(C=C(C=C5)OC)OC
InChI: InChI=1S/C22H26N2O5/c1-22(2,3)24-20(25)15-12-9-13(16(15)21(24)26)19-17(12)18(23-29-19)11-7-6-10(27-4)8-14(11)28-5/h6-8,12-13,15-17,19H,9H2,1-5H3/t12-,13+,15+,16-,17+,19+/m0/s1
SMILES: CN1C[C@H]2CC(C[C@H]2C1)COC3=C(C=C4C(=C3)N=CN=C4NC5=C(C(=C(C=C5)Br)Cl)Cl)OC
InChI: InChI=1S/C24H25BrCl2N4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13?,14-,15+
SMILES: CCCCCC1=C([C@@H]([C@H](CC1)O[Si](C)(C)C(C)(C)C)C=O)C=O
InChI: InChI=1S/C19H34O3Si/c1-7-8-9-10-15-11-12-18(17(14-21)16(15)13-20)22-23(5,6)19(2,3)4/h13-14,17-18H,7-12H2,1-6H3/t17-,18-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](OC(=O)[C@@H]3N2[C@H]([C@]4([C@H]3C(=O)NCCC5=CC=CC=N5)C6=C(C=CC(=C6)C#CCN7C8=CC=CC=C8N=N7)NC4=O)C9=CC=C(C=C9)O)C1=CC=CC=C1
InChI: InChI=1S/C49H39N7O5/c57-36-23-21-34(22-24-36)45-49(37-30-31(20-25-38(37)52-48(49)60)12-11-29-55-40-19-8-7-18-39(40)53-54-55)41(46(58)51-28-26-35-17-9-10-27-50-35)43-47(59)61-44(33-15-5-2-6-16-33)42(56(43)45)32-13-3-1-4-14-32/h1-10,13-25,27,30,41-45,57H,26,28-29H2,(H,51,58)(H,52,60)/t41-,42-,43-,44+,45+,49-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@]2(C(C[C@H](C2=O)Br)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C
InChI: InChI=1S/C23H23BrO8/c1-9(25)31-13-6-22(2)11(5-12(24)20(22)27)15-17(13)23(3)14(8-29-4)32-21(28)10-7-30-19(16(10)23)18(15)26/h7,11-14H,5-6,8H2,1-4H3/t11?,12-,13-,14-,22+,23+/m1/s1
SMILES: CC[C@@H]1[C@H]([C@@H](CCCC2(C(O2)C[C@H](OC(=O)C[C@H](C3(C1=O)CCC3)O)/C(=C/C4=CSC(=N4)C)/F)C)C)O
InChI: InChI=1S/C28H40FNO6S/c1-5-19-25(33)16(2)8-6-9-27(4)23(36-27)13-21(20(29)12-18-15-37-17(3)30-18)35-24(32)14-22(31)28(26(19)34)10-7-11-28/h12,15-16,19,21-23,25,31,33H,5-11,13-14H2,1-4H3/b20-12-/t16-,19-,21+,22-,23?,25+,27?/m1/s1
SMILES: COC1=C(C=C(C=C1)CNC(=O)[C@@H]2[C@@H](C3CCC2CC3)C(=O)[O-])OC
InChI: InChI=1S/C19H25NO5/c1-24-14-8-3-11(9-15(14)25-2)10-20-18(21)16-12-4-6-13(7-5-12)17(16)19(22)23/h3,8-9,12-13,16-17H,4-7,10H2,1-2H3,(H,20,21)(H,22,23)/p-1/t12?,13?,16-,17+/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCN3C4=CC=CC=C4N=N3)[C@@]5(C1=O)[C@H]([C@@H]6C(=O)O[C@H]([C@H](N6[C@H]5C7=CC(=CC=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)NC1=NC2=CC=CC=C2S1
InChI: InChI=1S/C58H50N8O9S/c1-34(2)47(53(69)73-3)60-57(72)65-43-28-27-35(16-15-29-64-44-25-12-10-23-41(44)62-63-64)32-40(43)58(55(65)71)46(52(68)61-56-59-42-24-11-13-26-45(42)76-56)49-54(70)75-50(37-19-8-5-9-20-37)48(36-17-6-4-7-18-36)66(49)51(58)38-21-14-22-39(33-38)74-31-30-67/h4-14,17-28,32-34,46-51,67H,29-31H2,1-3H3,(H,60,72)(H,59,61,68)/t46-,47+,48-,49-,50+,51+,58-/m1/s1
SMILES: CCO/N=C(\C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=C[N+](=C3C)[O-])C)C)/C4=CC=C(C=C4)Br.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
InChI: InChI=1S/C28H37BrN4O3.C6H12O6/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3;7-1-2-3(8)4(9)5(10)6(11)12-2/h6-10,17,23H,5,11-16,18-19H2,1-4H3;2-11H,1H2/b30-26-;/t;2-,3-,4+,5-,6+/m.1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(C(C(=O)OC(C)(C)C)N)O)OC)C
InChI: InChI=1S/C15H27NO7/c1-14(2,3)23-12(18)7(16)8(17)9-10-11(13(19-6)20-9)22-15(4,5)21-10/h7-11,13,17H,16H2,1-6H3/t7?,8?,9-,10-,11-,13-/m1/s1
SMILES: CC1=C[C@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=C5C(=C4)C=C(O5)C6=CC(=CC(=C6)O)O)O
InChI: InChI=1S/C39H36O9/c1-19(2)4-6-27-32(43)9-8-28(38(27)46)39(47)37-30(26-7-5-23(40)17-33(26)44)10-20(3)11-31(37)29-14-22-15-35(48-36(22)18-34(29)45)21-12-24(41)16-25(42)13-21/h4-5,7-9,11-18,30-31,37,40-46H,6,10H2,1-3H3/t30-,31+,37-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=C(C=C2)O)O
InChI: InChI=1S/C17H23NO5/c1-10-4-3-5-14(11(10)2)18-16(21)9-23-17(22)13-7-6-12(19)8-15(13)20/h6-8,10-11,14,19-20H,3-5,9H2,1-2H3,(H,18,21)/t10-,11+,14-/m0/s1
SMILES: C1[C@@H](O[C@H]([C@@H]([C@@H]1O)O)NC2=CC=C(C=C2)[N+](=O)[O-])CO
InChI: InChI=1S/C12H16N2O6/c15-6-9-5-10(16)11(17)12(20-9)13-7-1-3-8(4-2-7)14(18)19/h1-4,9-13,15-17H,5-6H2/t9-,10-,11-,12-/m1/s1
SMILES: CSC1=CC=CC(=C1)NC(=O)N[C@H]2CCN([C@@H]2C(=O)N[C@@H](CC3=CC=CS3)C(=O)N)C(=O)C4=NC=CN=C4
InChI: InChI=1S/C25H27N7O4S2/c1-37-16-5-2-4-15(12-16)29-25(36)31-18-7-10-32(24(35)20-14-27-8-9-28-20)21(18)23(34)30-19(22(26)33)13-17-6-3-11-38-17/h2-6,8-9,11-12,14,18-19,21H,7,10,13H2,1H3,(H2,26,33)(H,30,34)(H2,29,31,36)/t18-,19-,21-/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@]2([C@H]3C[C@H]([C@@H]2C(=C)C3)C([C@@H]1OC(=O)C)(C)C)C)OC(=O)C
InChI: InChI=1S/C21H30O6/c1-10-8-14-9-15-16(10)21(14,7)19(27-13(4)24)17(25-11(2)22)18(20(15,5)6)26-12(3)23/h14-19H,1,8-9H2,2-7H3/t14-,15-,16+,17-,18-,19-,21+/m1/s1