EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=NN(C2=C1[C@@H]([C@H](C(=O)N2)NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C
InChI: InChI=1S/C22H22N4O3/c1-13-17-18(14-9-11-16(29-3)12-10-14)19(22(28)24-20(17)26(2)25-13)23-21(27)15-7-5-4-6-8-15/h4-12,18-19H,1-3H3,(H,23,27)(H,24,28)/t18-,19+/m0/s1
SMILES: C[C@@H]1[C@H](O1)[C@H](C)[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC
InChI: InChI=1S/C17H36O3Si/c1-11(2)21(12(3)4,13(5)6)19-10-16(18-9)14(7)17-15(8)20-17/h11-17H,10H2,1-9H3/t14-,15-,16+,17-/m1/s1
SMILES: COC1=CC=C(C=C1)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C16H19NO2/c1-19-13-6-4-12(5-7-13)17-9-14-10-2-3-11(8-10)15(14)16(17)18/h4-7,10-11,14-15H,2-3,8-9H2,1H3/t10-,11+,14-,15+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NC3=CC=CC=C3N2
InChI: InChI=1S/C17H23N3OS/c1-11-7-3-4-8-13(11)18-16(21)12(2)22-17-19-14-9-5-6-10-15(14)20-17/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,18,21)(H,19,20)/t11-,12+,13-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)C5=CN=CC=C5)CN6CCC[C@H]6C(=O)OC(C)(C)C
InChI: InChI=1S/C41H47N3O6/c1-27-36(25-44-20-8-14-35(44)39(47)50-41(2,3)4)48-40(49-37(27)30-17-15-28(26-45)16-18-30)33-12-6-11-32(22-33)31-10-5-9-29(21-31)23-43-38(46)34-13-7-19-42-24-34/h5-7,9-13,15-19,21-22,24,27,35-37,40,45H,8,14,20,23,25-26H2,1-4H3,(H,43,46)/t27-,35+,36+,37+,40+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NCCC3=CC(=C(C=C3)OC)OC)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=C(C(=O)NC5=O)C)O
InChI: InChI=1S/C30H40N5O13P/c1-16-12-34(29(40)32-27(16)38)25-10-19(37)24(47-25)15-45-49(42,31-8-7-18-5-6-20(43-3)21(9-18)44-4)48-22-11-26(46-23(22)14-36)35-13-17(2)28(39)33-30(35)41/h5-6,9,12-13,19,22-26,36-37H,7-8,10-11,14-15H2,1-4H3,(H,31,42)(H,32,38,40)(H,33,39,41)/t19-,22-,23+,24+,25+,26+,49?/m0/s1
SMILES: CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C(C[C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2C[C@]([C@@H]([C@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)O)C)C)O)C
InChI: InChI=1S/C35H63NO12/c1-12-25-18(4)29(39)20(6)28(38)17(3)24(37)14-26(47-34-30(40)23(36(10)11)13-16(2)44-34)19(5)31(21(7)33(42)46-25)48-27-15-35(9,43)32(41)22(8)45-27/h16-27,29-32,34,37,39-41,43H,12-15H2,1-11H3/t16-,17-,18+,19-,20+,21-,22-,23+,24?,25-,26+,27-,29+,30-,31+,32-,34+,35+/m1/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)SC6CCCC6)OCC=C
InChI: InChI=1S/C42H56N2O7S/c1-3-24-48-42-38(52-32-17-8-9-18-32)27-36(44-49-28-29-14-6-5-7-15-29)34-25-30(16-10-12-22-45)33(19-11-13-23-46)39(40(34)42)35-26-31(20-21-37(35)51-42)50-41(47)43-4-2/h3,5-7,14-15,20-21,25-26,30,32-33,38-40,45-46H,1,4,8-13,16-19,22-24,27-28H2,2H3,(H,43,47)/t30-,33+,38-,39+,40+,42+/m0/s1
SMILES: COC(=O)[C@H]1[C@@]2(CCCNC2=O)N[C@H]([C@]13C4=CC=CC=C4NC3=O)C5=CC=CC=C5
InChI: InChI=1S/C23H23N3O4/c1-30-19(27)17-22(12-7-13-24-20(22)28)26-18(14-8-3-2-4-9-14)23(17)15-10-5-6-11-16(15)25-21(23)29/h2-6,8-11,17-18,26H,7,12-13H2,1H3,(H,24,28)(H,25,29)/t17-,18-,22+,23-/m0/s1
SMILES: CC1=CC[C@@H]([C@]2([C@H]1[C@@H]([C@@]34[C@H](/C=C(\[C@@H]([C@H]([C@@H]2OC(=O)C)O)OC(=O)C)/C)OC(=O)[C@@]3(O4)C)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C28H36O12/c1-12-9-10-18(35-14(3)29)26(7)20(12)23(37-16(5)31)28-19(39-25(34)27(28,8)40-28)11-13(2)22(36-15(4)30)21(33)24(26)38-17(6)32/h9,11,18-24,33H,10H2,1-8H3/b13-11-/t18-,19-,20+,21+,22-,23-,24-,26-,27-,28-/m0/s1
SMILES: C[C@@]12CCC[C@@]3(C1CCC(=C)[C@H]3CC(=O)C4=COC=C4)C(=O)OC2
InChI: InChI=1S/C20H24O4/c1-13-4-5-17-19(2)7-3-8-20(17,18(22)24-12-19)15(13)10-16(21)14-6-9-23-11-14/h6,9,11,15,17H,1,3-5,7-8,10,12H2,2H3/t15-,17?,19+,20-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N
InChI: InChI=1S/C48H49N3O10/c1-58-27-28-60-46(56)50-37-20-19-31(21-24-47(57)22-10-2-3-11-23-47)29-36(37)48(45(50)55)38(43(49)53)40-44(54)61-41(33-15-8-5-9-16-33)39(32-13-6-4-7-14-32)51(40)42(48)34-17-12-18-35(30-34)59-26-25-52/h4-9,12-20,29-30,38-42,52,57H,2-3,10-11,22-23,25-28H2,1H3,(H2,49,53)/t38-,39-,40-,41+,42+,48-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC[C@@]1(C)O)C)C)C)(C)C)O)C
InChI: InChI=1S/C30H52O2/c1-19-24-20-9-10-22-27(5)13-12-23(31)25(2,3)21(27)11-14-29(22,7)28(20,6)17-15-26(24,4)16-18-30(19,8)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24+,26-,27-,28+,29+,30+/m0/s1
SMILES: C[C@@H]1C[C@@]([C@@H](C[NH+]1C)C)(C#CC(C)(C)OC(=O)C2=CC=CC=C2)O
InChI: InChI=1S/C20H27NO3/c1-15-14-21(5)16(2)13-20(15,23)12-11-19(3,4)24-18(22)17-9-7-6-8-10-17/h6-10,15-16,23H,13-14H2,1-5H3/p+1/t15-,16-,20-/m1/s1
SMILES: CC1=CC[C@H]2[C@@](CC[C@H](O2)C(C)(C)O)([C@H]3[C@@]1([C@@H](CC3)CC4=C(NC5=CC=CC=C54)C(C)(C)C=C)C)C
InChI: InChI=1S/C33H47NO2/c1-9-30(3,4)29-24(23-12-10-11-13-25(23)34-29)20-22-15-16-26-32(7)19-18-27(31(5,6)35)36-28(32)17-14-21(2)33(22,26)8/h9-14,22,26-28,34-35H,1,15-20H2,2-8H3/t22-,26-,27-,28-,32-,33-/m0/s1
SMILES: CC1=C(C=C(C=C1)C(=C)[C@H]2CN([C@@H]([C@H]2CC(=O)O)C(=O)O)C(=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C25H27NO6/c1-15-9-10-19(11-16(15)2)17(3)21-13-26(23(24(29)30)20(21)12-22(27)28)25(31)32-14-18-7-5-4-6-8-18/h4-11,20-21,23H,3,12-14H2,1-2H3,(H,27,28)(H,29,30)/t20-,21+,23-/m0/s1
SMILES: C1[C@@H]2C[C@@H]([C@H]1C=C2)C(=O)NCCN3C(=O)/C(=C/C4=CC=CC=C4)/SC3=O
InChI: InChI=1S/C20H20N2O3S/c23-18(16-11-14-6-7-15(16)10-14)21-8-9-22-19(24)17(26-20(22)25)12-13-4-2-1-3-5-13/h1-7,12,14-16H,8-11H2,(H,21,23)/b17-12-/t14-,15+,16+/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@H]1CN(CCCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3
InChI: InChI=1S/C25H27NO4/c1-2-29-25(28)21-15-20(21)17-26(14-8-11-18-9-4-3-5-10-18)24(27)23-16-19-12-6-7-13-22(19)30-23/h3-7,9-10,12-13,16,20-21H,2,8,11,14-15,17H2,1H3/t20-,21-/m0/s1
SMILES: CC[C@H]([C@H]([C@@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4[C@@]3(CC[C@H](C4)F)C)C)O)O)C(C)C
InChI: InChI=1S/C29H49FO3/c1-7-19(16(2)3)27(33)26(32)17(4)21-8-9-22-20-15-25(31)24-14-18(30)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-24,26-27,32-33H,7-15H2,1-6H3/t17-,18+,19-,20-,21+,22-,23-,24?,26+,27+,28+,29+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@]2([C@@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)C)OS(=O)(=O)C4=CC=C(C=C4)C)OCC5=CC=CC=C5)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC
InChI: InChI=1S/C53H52N2O13S2/c1-36-16-28-45(29-17-36)69(58,59)66-35-52(34-65-53(40-14-10-7-11-15-40,41-20-24-43(62-4)25-21-41)42-22-26-44(63-5)27-23-42)48(64-33-39-12-8-6-9-13-39)47(68-70(60,61)46-30-18-37(2)19-31-46)50(67-52)55-32-38(3)49(56)54-51(55)57/h6-32,47-48,50H,33-35H2,1-5H3,(H,54,56,57)/t47-,48-,50-,52-/m1/s1
SMILES: CC[C@@]12C=CC[NH+]3[C@@H]1[C@]4(CC3)[C@@H]([C@@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
InChI: InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/p+1/t19-,20-,21+,23+,24+,25+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C3([C@@H]4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=CC=C(C=C7)F
InChI: InChI=1S/C33H22FNO3/c34-23-17-14-21(15-18-23)28-29(30(36)22-9-2-1-3-10-22)35-26-13-7-4-8-20(26)16-19-27(35)33(28)31(37)24-11-5-6-12-25(24)32(33)38/h1-19,27-29H/t27-,28-,29+/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)CCC(=O)O)O)O)O
InChI: InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t12-,14+,15+,16+,17-/m0/s1
SMILES: CCOC1=C(C=C(C=C1)[C@@H]2[C@H]3CC(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(C)(C)C)OCC
InChI: InChI=1S/C27H32N4O2/c1-6-32-22-11-8-17(12-23(22)33-7-2)24-20-13-18(26(3,4)5)9-10-19(20)21(14-28)25(31)27(24,15-29)16-30/h8,10-12,18,20,24H,6-7,9,13,31H2,1-5H3/t18?,20-,24+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC(=CC=C7)I)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C47H50INO14/c1-24-31(61-43(57)36(53)35(27-14-9-7-10-15-27)49-41(55)28-16-11-8-12-17-28)22-47(58)40(62-42(56)29-18-13-19-30(48)20-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)51)39(54)37(60-25(2)50)34(24)44(47,4)5/h7-20,31-33,35-38,40,52-53,58H,21-23H2,1-6H3,(H,49,55)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
SMILES: CC(=O)C([C@@H]1[C@H]2C[C@H]([C@@H]1[C@@H]3[C@H]2CC=C3)O[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C15H19NO6/c1-7(17)12(15(18)21-2)14-10-6-11(22-16(19)20)13(14)9-5-3-4-8(9)10/h3,5,8-14H,4,6H2,1-2H3/t8-,9+,10+,11-,12?,13+,14+/m1/s1
SMILES: CC(C)C(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=CC=C3Cl
InChI: InChI=1S/C15H17ClN2O3S2/c1-9(2)14(19)17-15-18(11-6-4-3-5-10(11)16)12-7-23(20,21)8-13(12)22-15/h3-6,9,12-13H,7-8H2,1-2H3/t12-,13+/m1/s1
SMILES: CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)CS(=O)(=O)C2=CC=C(C=C2)Br)NC(=O)CC3=NC4=C(C=CC=C4N3)C(F)(F)F
InChI: InChI=1S/C27H32BrF3N4O3S/c1-16(2)35(3)19-9-12-22(17(13-19)15-39(37,38)20-10-7-18(28)8-11-20)33-25(36)14-24-32-23-6-4-5-21(26(23)34-24)27(29,30)31/h4-8,10-11,16-17,19,22H,9,12-15H2,1-3H3,(H,32,34)(H,33,36)/t17-,19+,22-/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)CSC5=NN=CN5C
InChI: InChI=1S/C33H37N5O6S/c1-21-28(19-45-33-37-34-20-38(33)2)43-31(44-29(21)24-14-12-23(18-39)13-15-24)25-10-7-11-26(17-25)35-32(41)36-27(30(40)42-3)16-22-8-5-4-6-9-22/h4-15,17,20-21,27-29,31,39H,16,18-19H2,1-3H3,(H2,35,36,41)/t21-,27+,28+,29+,31+/m1/s1
SMILES: C[C@H]1[C@@H](CCN(C1=O)C(=O)OC(C)(C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI: InChI=1S/C25H32N2O3/c1-19-22(15-16-27(23(19)28)24(29)30-25(2,3)4)26(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14,19,22H,15-18H2,1-4H3/t19-,22+/m0/s1
SMILES: CC1=C([C@@H]([C@H]([C@]2(N1[C@@H](CO2)C(=O)O)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C20H22N2O9/c1-10-14(18(25)29-3)15(11-6-5-7-12(8-11)22(27)28)16(19(26)30-4)20(2)21(10)13(9-31-20)17(23)24/h5-8,13,15-16H,9H2,1-4H3,(H,23,24)/t13-,15-,16-,20-/m0/s1
SMILES: C[C@@H]([C@@H]1CCCO1)NC(=O)[C@H]2[C@H](C3CCC2CC3)C(=O)[O-]
InChI: InChI=1S/C16H25NO4/c1-9(12-3-2-8-21-12)17-15(18)13-10-4-6-11(7-5-10)14(13)16(19)20/h9-14H,2-8H2,1H3,(H,17,18)(H,19,20)/p-1/t9-,10?,11?,12-,13+,14-/m0/s1
SMILES: C[C@]12[C@@H](CCC(=O)O1)O[C@H]([C@@H](C[C@H]2O[Si](C)(C)C(C)(C)C)OCC3=CC=CC=C3)CCOCC4=CC=CC=C4
InChI: InChI=1S/C32H46O6Si/c1-31(2,3)39(5,6)38-29-21-27(35-23-25-15-11-8-12-16-25)26(19-20-34-22-24-13-9-7-10-14-24)36-28-17-18-30(33)37-32(28,29)4/h7-16,26-29H,17-23H2,1-6H3/t26-,27+,28+,29+,32+/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H]1[C@@H]2[C@@H](C[C@H]([C@H]2CO)OC(=O)C)/C(=C\CC=C(C)C)/C)O
InChI: InChI=1S/C22H36O4/c1-13(2)7-6-8-14(3)17-11-20(26-16(5)24)18(12-23)22(17)21-15(4)9-10-19(21)25/h7-8,15,17-23,25H,6,9-12H2,1-5H3/b14-8-/t15-,17+,18-,19+,20-,21-,22-/m1/s1
SMILES: C(CCl)N1C(=O)O[C@]2([C@@]1(C(=C(C(=C2F)F)F)F)F)CCl
InChI: InChI=1S/C10H6Cl2F5NO2/c11-1-2-18-8(19)20-9(3-12)6(15)4(13)5(14)7(16)10(9,18)17/h1-3H2/t9-,10+/m1/s1
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N3CC[C@H]4CCCC[C@H]4C3
InChI: InChI=1S/C23H29N3O3/c1-16-22(17(2)26(24-16)20-10-4-3-5-11-20)23(28)29-15-21(27)25-13-12-18-8-6-7-9-19(18)14-25/h3-5,10-11,18-19H,6-9,12-15H2,1-2H3/t18-,19+/m1/s1
SMILES: C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)O)O)C)C)C
InChI: InChI=1S/C30H52O4/c1-18(9-12-24(32)27(4,5)34)19-13-15-30(8)21-10-11-23-26(2,3)25(33)22(31)17-28(23,6)20(21)14-16-29(19,30)7/h18-19,22-25,31-34H,9-17H2,1-8H3/t18-,19-,22-,23?,24-,25+,28-,29-,30+/m1/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=C2N=CN5CCCCCC5)O)O)/C
InChI: InChI=1S/C44H59N3O12/c1-22-15-14-16-23(2)43(55)46-34-33(45-21-47-18-12-10-11-13-19-47)38(52)30-31(39(34)53)37(51)27(6)41-32(30)42(54)44(8,59-41)57-20-17-29(56-9)24(3)40(58-28(7)48)26(5)36(50)25(4)35(22)49/h14-17,20-22,24-26,29,35-36,40,49-53H,10-13,18-19H2,1-9H3,(H,46,55)/b15-14+,20-17+,23-16-,45-21?/t22-,24+,25+,26+,29-,35-,36+,40+,44-/m0/s1
SMILES: CN1C[C@@H]([C@]([C@H]1C2=CC=CC=C2)(C(=O)OC)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C26H27NO4S/c1-27-19-22(18-20-12-6-3-7-13-20)26(25(28)31-2,24(27)21-14-8-4-9-15-21)32(29,30)23-16-10-5-11-17-23/h3-17,22,24H,18-19H2,1-2H3/t22-,24+,26-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](CC4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)CC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)OC)O)C)OC(=O)C
InChI: InChI=1S/C46H57NO15/c1-24-28(60-40(54)34(51)33(26-16-12-10-13-17-26)47-31(50)22-42(3,4)5)21-46(56)38(61-39(53)27-18-14-11-15-19-27)36-44(8,37(52)35(59-25(2)48)32(24)43(46,6)7)29(49)20-30-45(36,23-58-30)62-41(55)57-9/h10-19,28-30,33-36,38,49,51,56H,20-23H2,1-9H3,(H,47,50)/t28-,29-,30?,33-,34+,35+,36?,38-,44+,45-,46+/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(CC2=NN(C(=C2)C)C)C(=O)C3=CC=NC4=CC=CC=C34
InChI: InChI=1S/C23H26N4O3/c1-4-30-23(29)20-12-16(20)13-27(14-17-11-15(2)26(3)25-17)22(28)19-9-10-24-21-8-6-5-7-18(19)21/h5-11,16,20H,4,12-14H2,1-3H3/t16-,20+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C
InChI: InChI=1S/C18H24N2O5/c1-11-6-4-8-15(12(11)2)19-17(21)10-25-18(22)14-7-5-9-16(13(14)3)20(23)24/h5,7,9,11-12,15H,4,6,8,10H2,1-3H3,(H,19,21)/t11-,12-,15+/m0/s1
SMILES: CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)[C@@H]3CC(=CC[C@@H]3C(=O)O)Cl
InChI: InChI=1S/C20H24ClNO6S/c1-4-27-19(26)15-13-8-20(2,3)28-9-14(13)29-17(15)22-16(23)12-7-10(21)5-6-11(12)18(24)25/h5,11-12H,4,6-9H2,1-3H3,(H,22,23)(H,24,25)/t11-,12+/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)CN3N=C(N=N3)C4=CC=CC=C4
InChI: InChI=1S/C18H18N6O2/c1-12-9-15(12)16-8-7-14(26-16)10-19-20-17(25)11-24-22-18(21-23-24)13-5-3-2-4-6-13/h2-8,10,12,15H,9,11H2,1H3,(H,20,25)/b19-10-/t12-,15+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=CC(=O)CC[C@]34C
InChI: InChI=1S/C19H29O5P/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H2,21,22,23)/t14-,15+,16-,17+,18+,19+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]([C@@H](O[C@H]2[C@@H]1O[C@H](OC2)C3=CC=CC=C3)Br)N4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C27H32BrNO6Si/c1-27(2,3)36(4,5)35-22-20(29-24(30)17-13-9-10-14-18(17)25(29)31)23(28)33-19-15-32-26(34-21(19)22)16-11-7-6-8-12-16/h6-14,19-23,26H,15H2,1-5H3/t19-,20-,21+,22-,23-,26+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](OC(=O)N1OC2CCCCO2)[C@H](C=C)OCOCC[Si](C)(C)C)O
InChI: InChI=1S/C19H35NO7Si/c1-6-15(25-13-23-11-12-28(3,4)5)18-17(14(2)21)20(19(22)26-18)27-16-9-7-8-10-24-16/h6,14-18,21H,1,7-13H2,2-5H3/t14-,15+,16?,17-,18-/m1/s1
SMILES: C1[C@H]2C[C@H]([C@@H]1C=C2)NC(=S)NC3=CC=CC=C3[C@](CC4=CC=CC=C4)(C5=CC=CC=C5)O
InChI: InChI=1S/C28H28N2OS/c31-28(23-11-5-2-6-12-23,19-20-9-3-1-4-10-20)24-13-7-8-14-25(24)29-27(32)30-26-18-21-15-16-22(26)17-21/h1-16,21-22,26,31H,17-19H2,(H2,29,30,32)/t21-,22+,26+,28-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=CC(=O)NC2=O)CO
InChI: InChI=1S/C13H16N2O8/c1-6(17)21-10-8(5-16)23-12(11(10)22-7(2)18)15-4-3-9(19)14-13(15)20/h3-4,8,10-12,16H,5H2,1-2H3,(H,14,19,20)/t8-,10-,11-,12-/m1/s1
SMILES: CC(C)[C@H]1[C@H](OC(=O)N1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI: InChI=1S/C14H14F13NO2/c1-5(2)7-6(30-8(29)28-7)3-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h5-7H,3-4H2,1-2H3,(H,28,29)/t6-,7+/m1/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=C(C=CC(=C23)[N+](=O)[O-])C(=O)O)C(=O)O
InChI: InChI=1S/C14H12N2O6/c17-13(18)8-4-5-9(16(21)22)10-6-2-1-3-7(6)12(14(19)20)15-11(8)10/h1-2,4-7,12,15H,3H2,(H,17,18)(H,19,20)/t6-,7-,12+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N(CC2=CC=CC=C2)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=CC=C(O8)C9=C(C=CC(=C9)C(F)(F)F)Cl)C)O
InChI: InChI=1S/C50H52ClF3N2O5/c1-31(33-12-8-5-9-13-33)55-44(59)56(29-32-10-6-4-7-11-32)30-48(60)23-20-42-46(48,3)22-19-41-45(2)21-18-35(57)27-47(45)24-25-49(41,42)37(28-47)43(58)40-17-16-39(61-40)36-26-34(50(52,53)54)14-15-38(36)51/h4-17,24-26,28,31,35,41-42,57,60H,18-23,27,29-30H2,1-3H3,(H,55,59)/t31-,35?,41-,42-,45-,46+,47+,48-,49-/m1/s1
SMILES: COC1=CC=C(C=C1)NC2=N[C@H]3[C@H]([C@@H](C[C@@H]([C@H]3S2)C(=O)NC4=CC=CC=C4)O)O
InChI: InChI=1S/C21H23N3O4S/c1-28-14-9-7-13(8-10-14)23-21-24-17-18(26)16(25)11-15(19(17)29-21)20(27)22-12-5-3-2-4-6-12/h2-10,15-19,25-26H,11H2,1H3,(H,22,27)(H,23,24)/t15-,16+,17-,18-,19+/m0/s1
SMILES: CC[Si](CC)(CC)OCC1=C2C=CC(=C(C2=CC(=C1Cl)OC)C(=O)O[C@H]3C[C@@H]4[C@@H](C#C[C@@H]5[C@@](O5)(C#CC4=C3)[C@@H](CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC)O)O[Si](CC)(CC)CC
InChI: InChI=1S/C51H79ClO9Si4/c1-14-62(15-2,16-3)56-35-42-39-26-28-44(60-64(20-7,21-8)22-9)48(41(39)34-45(55-13)49(42)52)50(54)58-38-32-37-30-31-51(46(59-51)29-27-43(53)40(37)33-38)47(61-65(23-10,24-11)25-12)36-57-63(17-4,18-5)19-6/h26,28,32,34,38,40,43,46-47,53H,14-25,33,35-36H2,1-13H3/t38-,40+,43-,46-,47-,51+/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]4CC5=CC=C(C=C5)CO)O)C)C
InChI: InChI=1S/C35H56O2/c1-23(2)7-6-8-24(3)29-15-16-30-27-13-14-31-28(21-25-9-11-26(22-36)12-10-25)33(37)18-20-35(31,5)32(27)17-19-34(29,30)4/h9-12,23-24,27-33,36-37H,6-8,13-22H2,1-5H3/t24-,27+,28+,29-,30+,31+,32+,33+,34-,35+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](CC1(Cl)Cl)C(=O)OC)C(=S)NC(C)(C)C
InChI: InChI=1S/C13H21Cl2NO2S/c1-7-9(10(19)16-12(2,3)4)8(11(17)18-5)6-13(7,14)15/h7-9H,6H2,1-5H3,(H,16,19)/t7-,8-,9-/m1/s1
SMILES: C1[C@@H]2[C@H]3C2(CN1C3)C4=NSN=C4SCC#CC5=CC(=CC=C5)F
InChI: InChI=1S/C17H14FN3S2/c18-12-5-1-3-11(7-12)4-2-6-22-16-15(19-23-20-16)17-10-21-8-13(17)14(17)9-21/h1,3,5,7,13-14H,6,8-10H2/t13-,14+,17?
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC3=CC=C(C=C3)C4=C5C=CC(=C(C6=NC(=C(C7=NC(=C(C8=CC=C4N8)C9=CC=NC=C9)C=C7)C1=CC=NC=C1)C=C6)C1=CC=NC=C1)N5)O
InChI: InChI=1S/C51H39N9O5/c1-29-27-60(51(63)59-50(29)62)45-26-43(61)44(65-45)28-64-34-4-2-30(3-5-34)46-35-6-8-37(55-35)47(31-14-20-52-21-15-31)39-10-12-41(57-39)49(33-18-24-54-25-19-33)42-13-11-40(58-42)48(32-16-22-53-23-17-32)38-9-7-36(46)56-38/h2-25,27,43-45,55-56,61H,26,28H2,1H3,(H,59,62,63)/t43-,44+,45+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC2=CC=CC(=C2)C3=CC=C(C=C3)[C@@H]4[C@H](C(=O)N4C5=CC=C(C=C5)F)CC[C@@H](C6=CC=C(C=C6)F)O)O)O)O
InChI: InChI=1S/C37H37F2NO8/c1-46-37-35(44)34(43)33(42)31(48-37)20-47-28-4-2-3-24(19-28)21-5-7-23(8-6-21)32-29(17-18-30(41)22-9-11-25(38)12-10-22)36(45)40(32)27-15-13-26(39)14-16-27/h2-16,19,29-35,37,41-44H,17-18,20H2,1H3/t29-,30+,31-,32-,33-,34+,35-,37+/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1)C)NC(=O)[C@@H]2CC(=C(C[C@@H]2C(=O)O)C)C
InChI: InChI=1S/C18H23NO5S/c1-5-24-18(23)14-8-11(4)25-16(14)19-15(20)12-6-9(2)10(3)7-13(12)17(21)22/h8,12-13H,5-7H2,1-4H3,(H,19,20)(H,21,22)/t12-,13+/m1/s1
SMILES: C1CCC(CC1)[C@H](C(=O)O)N2C[C@@H]([C@H](C2)C3=CC=CC=C3)CN4CCC(CC4)CCCC5=CC=CC=C5
InChI: InChI=1S/C33H46N2O2/c36-33(37)32(29-17-8-3-9-18-29)35-24-30(31(25-35)28-15-6-2-7-16-28)23-34-21-19-27(20-22-34)14-10-13-26-11-4-1-5-12-26/h1-2,4-7,11-12,15-16,27,29-32H,3,8-10,13-14,17-25H2,(H,36,37)/t30-,31+,32+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)N[C@H]2[C@H](SC(=S)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C23H17ClN2O2S2/c24-17-13-11-15(12-14-17)20-19(25-21(27)16-7-3-1-4-8-16)22(28)26(23(29)30-20)18-9-5-2-6-10-18/h1-14,19-20H,(H,25,27)/t19-,20+/m0/s1
SMILES: CCOC1=C(C=C2C(=C1)[C@H]3C[C@@H](CC[C@H]3N=C2C4=NC=CN=C4)O)OC
InChI: InChI=1S/C20H23N3O3/c1-3-26-19-9-13-14-8-12(24)4-5-16(14)23-20(15(13)10-18(19)25-2)17-11-21-6-7-22-17/h6-7,9-12,14,16,24H,3-5,8H2,1-2H3/t12-,14-,16-/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2C(=O)NC3=NC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C13H15N3O3/c17-13(11-6-8-1-2-9(11)5-8)15-12-4-3-10(7-14-12)16(18)19/h3-4,7-9,11H,1-2,5-6H2,(H,14,15,17)/t8-,9-,11-/m0/s1
SMILES: CO[C@@H]1[C@H]2[C@H](O2)[C@H]3[C@H](O1)COC(O3)C4=CC=CC=C4
InChI: InChI=1S/C14H16O5/c1-15-14-12-11(18-12)10-9(17-14)7-16-13(19-10)8-5-3-2-4-6-8/h2-6,9-14H,7H2,1H3/t9-,10-,11-,12-,13?,14+/m1/s1
SMILES: CCOC(=O)C1=C(N(C=N1)[C@@H]2C[C@@H]([C@@H]3[C@H]2OC(O3)(C)C)COCOC)NC(=S)NC(=O)OCC
InChI: InChI=1S/C21H32N4O8S/c1-6-30-18(26)14-17(23-19(34)24-20(27)31-7-2)25(10-22-14)13-8-12(9-29-11-28-5)15-16(13)33-21(3,4)32-15/h10,12-13,15-16H,6-9,11H2,1-5H3,(H2,23,24,27,34)/t12-,13-,15-,16+/m1/s1
SMILES: C[C@H]1C[C@H](O[C@@H]1CCO[Si](C)(C)C(C)(C)C)[C@@H]([C@@H](CO)O)OCC2=CC=CC=C2
InChI: InChI=1S/C23H40O5Si/c1-17-14-21(28-20(17)12-13-27-29(5,6)23(2,3)4)22(19(25)15-24)26-16-18-10-8-7-9-11-18/h7-11,17,19-22,24-25H,12-16H2,1-6H3/t17-,19+,20+,21-,22+/m0/s1
SMILES: C[C@@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=N2)N)C#N)C4=CC=CC=C4F)C#N
InChI: InChI=1S/C16H13FN4O2/c1-9-6-22-16(23-9)15(8-19)12(10-4-2-3-5-11(10)17)14(15,7-18)13(20)21-16/h2-5,9,12H,6H2,1H3,(H2,20,21)/t9-,12-,14-,15-,16-/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)CN2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)C(C)C)N=N2
InChI: InChI=1S/C22H23N5O3/c1-13(2)15-8-10-16(11-9-15)27-21(29)19-20(22(27)30)26(25-24-19)12-18(28)23-17-7-5-4-6-14(17)3/h4-11,13,19-20H,12H2,1-3H3,(H,23,28)/t19-,20-/m0/s1
SMILES: CC1=C([C@H]([C@H]2C(=N1)CCCC2=O)C3=CC=C(C=C3)N(C)C)C(=O)OC[C@@H]4CCCO4
InChI: InChI=1S/C24H30N2O4/c1-15-21(24(28)30-14-18-6-5-13-29-18)22(16-9-11-17(12-10-16)26(2)3)23-19(25-15)7-4-8-20(23)27/h9-12,18,22-23H,4-8,13-14H2,1-3H3/t18-,22+,23-/m0/s1
SMILES: C1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1C4=C(C=C(C=C4)C(F)(F)F)Cl)C(=O)O
InChI: InChI=1S/C16H11ClF3NO4/c17-8-5-7(16(18,19)20)1-2-9(8)21-6-15-4-3-10(25-15)11(14(23)24)12(15)13(21)22/h1-5,10-12H,6H2,(H,23,24)/t10-,11+,12-,15-/m1/s1
SMILES: CCCC[C@@]1(CC[C@@]2(O1)CC[C@@H]([C@H](O2)CCOCC3=CC=C(C=C3)OC)C)[C@H](CO)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C41H58O6Si/c1-7-8-25-40(38(30-42)46-48(39(3,4)5,35-15-11-9-12-16-35)36-17-13-10-14-18-36)27-28-41(47-40)26-23-32(2)37(45-41)24-29-44-31-33-19-21-34(43-6)22-20-33/h9-22,32,37-38,42H,7-8,23-31H2,1-6H3/t32-,37+,38-,40+,41-/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C(=CC=C5)OCC)O)C)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C32H32ClFN2O6/c1-4-13-35-28(38)18-11-10-17-20(25(18)30(35)40)15-21-29(39)36(16-9-12-23(34)22(33)14-16)31(41)32(21,3)26(17)19-7-6-8-24(27(19)37)42-5-2/h6-10,12,14,18,20-21,25-26,37H,4-5,11,13,15H2,1-3H3/t18-,20+,21-,25-,26+,32+/m0/s1
SMILES: CC1=C[C@H]2[C@H](CC3(C[C@H]2[C@H](C)COS(=O)(=O)C)OCCO3)[C@@H](C1)[C@H](COS(=O)(=O)C)C(C)C
InChI: InChI=1S/C23H40O8S2/c1-15(2)22(14-31-33(6,26)27)19-10-16(3)9-18-20(17(4)13-30-32(5,24)25)11-23(12-21(18)19)28-7-8-29-23/h9,15,17-22H,7-8,10-14H2,1-6H3/t17-,18-,19-,20+,21+,22-/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@H](O[C@H]2O1)COP(=O)(O)O)OC(=C)C(=O)OC)C
InChI: InChI=1S/C12H19O10P/c1-6(10(13)17-4)19-8-7(5-18-23(14,15)16)20-11-9(8)21-12(2,3)22-11/h7-9,11H,1,5H2,2-4H3,(H2,14,15,16)/t7-,8-,9+,11+/m1/s1
SMILES: CC(C)C[C@@H]1C[C@@H](N([C@@H]([C@H]1C/C=C/C2=CC=CC=C2)P(=O)(OC)OC)C(=O)OC(C)(C)C)C(=O)OC
InChI: InChI=1S/C27H42NO7P/c1-19(2)17-21-18-23(25(29)32-6)28(26(30)35-27(3,4)5)24(36(31,33-7)34-8)22(21)16-12-15-20-13-10-9-11-14-20/h9-15,19,21-24H,16-18H2,1-8H3/b15-12+/t21-,22+,23-,24-/m1/s1
SMILES: C1[C@@H]2[C@@H]([C@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C(=CC=C4)C(=O)O)N[C@@H]2C5=CC=CC=C5[N+](=O)[O-]
InChI: InChI=1S/C25H20ClN3O6S/c26-22-20(36-19-11-4-3-10-18(19)29(34)35)12-16-21(22)14-7-5-8-15(25(30)31)24(14)27-23(16)13-6-1-2-9-17(13)28(32)33/h1-11,16,20-23,27H,12H2,(H,30,31)/t16-,20+,21+,22+,23-/m1/s1
SMILES: COCC(=O)N(CC1CCCCC1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C27H38N2O8/c1-35-15-22(32)29(13-16-6-4-3-5-7-16)20-12-19(27(34)28-8-9-30)23-18-10-17(14-31)11-21(36-2)25(18)37-26(23)24(20)33/h10-12,16,20,23-24,26,30-31,33H,3-9,13-15H2,1-2H3,(H,28,34)/t20-,23+,24+,26+/m1/s1
SMILES: CC(C)[NH+]1CCC(CC1)N2C[C@]34C=C[C@H](O3)[C@@H]([C@@H]4C2=O)C(=O)[O-]
InChI: InChI=1S/C17H24N2O4/c1-10(2)18-7-4-11(5-8-18)19-9-17-6-3-12(23-17)13(16(21)22)14(17)15(19)20/h3,6,10-14H,4-5,7-9H2,1-2H3,(H,21,22)/t12-,13-,14+,17-/m0/s1
SMILES: C1C[C@H]2[C@@H]([C@]3([C@@H]1[C@@H]([C@@]23Cl)Cl)Cl)Cl
InChI: InChI=1S/C8H8Cl4/c9-5-3-1-2-4-6(10)7(3,11)8(4,5)12/h3-6H,1-2H2/t3-,4-,5-,6-,7-,8-/m0/s1
SMILES: C[C@]12CCC(CC1CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CCC4)C#N)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C
InChI: InChI=1S/C35H47NOSi/c1-33(2,3)38(28-12-7-5-8-13-28,29-14-9-6-10-15-29)37-27-19-22-34(4)26(24-27)17-18-30-31(34)20-23-35(25-36)21-11-16-32(30)35/h5-10,12-15,26-27,30-32H,11,16-24H2,1-4H3/t26?,27?,30-,31+,32-,34+,35+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(C2=CC=CC=C2)[C@@]3([C@@H](O3)CCC4=CC=CC=C4)C
InChI: InChI=1S/C24H25NO4S2/c1-19-13-16-22(17-14-19)31(27,28)25-30(26,21-11-7-4-8-12-21)24(2)23(29-24)18-15-20-9-5-3-6-10-20/h3-14,16-17,23H,15,18H2,1-2H3/t23-,24+,30?/m0/s1