EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CNC[C@@H]([C@@H]1C(=O)NCCCCC2=CC=CC=C2)C(=O)NCCCCC3=CC=CC=C3
InChI: InChI=1S/C27H37N3O2/c31-26(29-18-9-7-15-22-11-3-1-4-12-22)24-17-20-28-21-25(24)27(32)30-19-10-8-16-23-13-5-2-6-14-23/h1-6,11-14,24-25,28H,7-10,15-21H2,(H,29,31)(H,30,32)/t24-,25+/m1/s1
SMILES: CN1C=CC=C1[C@@H]2[C@H](C3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4)CO
InChI: InChI=1S/C23H24N2O2/c1-24-14-7-12-21(24)22-20(16-26)18-10-5-6-11-19(18)23(27)25(22)15-13-17-8-3-2-4-9-17/h2-12,14,20,22,26H,13,15-16H2,1H3/t20-,22-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC(=C(C=C8)C(=O)O)O
InChI: InChI=1S/C39H29ClFN3O8/c40-21-5-3-20(4-6-21)39-30(35(48)44(38(39)52)42-23-9-7-22(41)8-10-23)18-29-26(33(39)19-1-12-25(45)13-2-19)15-16-28-32(29)36(49)43(34(28)47)24-11-14-27(37(50)51)31(46)17-24/h1-15,17,28-30,32-33,42,45-46H,16,18H2,(H,50,51)/t28-,29+,30-,32-,33-,39+/m0/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)C6=CC=CC=C6)CCCCO)CCCCO)OCC=C)N(CC7=CC=C(C=C7)F)C(=O)C8=CC=C(C=C8)C#N
InChI: InChI=1S/C58H62FN3O7/c1-5-33-66-58-53(62(38-40-19-25-45(59)26-20-40)56(65)43-21-17-39(37-60)18-22-43)36-51(61-69-57(2,3)4)49-34-44(15-9-11-31-63)48(16-10-12-32-64)54(55(49)58)50-35-47(29-30-52(50)68-58)67-46-27-23-42(24-28-46)41-13-7-6-8-14-41/h5-8,13-14,17-30,34-35,44,48,53-55,63-64H,1,9-12,15-16,31-33,36,38H2,2-4H3/t44-,48+,53-,54+,55+,58+/m0/s1
SMILES: CCCN1CC=C2[C@@H](C1)[C@@H]([C@@H](C(=N)C2(C#N)C#N)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C21H20ClN5/c1-2-8-27-9-7-17-16(11-27)19(14-5-3-4-6-18(14)22)15(10-23)20(26)21(17,12-24)13-25/h3-7,15-16,19,26H,2,8-9,11H2,1H3/t15-,16+,19+/m0/s1
SMILES: CCCCCCCC(=O)OC[C@H]([C@@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)OC)O
InChI: InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18-,19+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@]2([C@@]1(C[C@H]([C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(C(=O)C[C@@H](C4)[Si](C)(C)C5=CC=CC=C5)COC(=O)C)OC(=O)C)C(=O)OC)O)OC
InChI: InChI=1S/C35H48O10Si/c1-20(42-4)26-13-14-35(41)30-27(38)16-23-15-25(46(6,7)24-11-9-8-10-12-24)17-29(39)33(23,19-44-21(2)36)31(30)28(45-22(3)37)18-34(26,35)32(40)43-5/h8-12,20,23,25-26,28,30-31,41H,13-19H2,1-7H3/t20-,23-,25+,26+,28+,30+,31-,33+,34+,35-/m0/s1
SMILES: C[C@@H](C(=O)OCC1=CC(=O)OC2=C1C=C3CCCC3=C2)N4C(=O)[C@H]5CCCC[C@@H]5C4=O
InChI: InChI=1S/C24H25NO6/c1-13(25-22(27)17-7-2-3-8-18(17)23(25)28)24(29)30-12-16-11-21(26)31-20-10-15-6-4-5-14(15)9-19(16)20/h9-11,13,17-18H,2-8,12H2,1H3/t13-,17-,18-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)F)O)OC(=O)[C@H](C)N
InChI: InChI=1S/C30H32FNO13/c1-10(32)28(40)45-27-11(2)43-29(21(31)26(27)39)44-15-8-30(41,16(34)9-33)7-13-18(15)25(38)20-19(23(13)36)22(35)12-5-4-6-14(42-3)17(12)24(20)37/h4-6,10-11,15,21,26-27,29,33,36,38-39,41H,7-9,32H2,1-3H3/t10-,11-,15-,21+,26-,27+,29-,30-/m0/s1
SMILES: C[C@]12[C@H](C(=O)N[C@]1(C(=O)O2)[C@H]([C@H]3CCCC=C3)O)CCI
InChI: InChI=1S/C15H20INO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH2+]C4CC[NH+](CC4)CC5=CC=CC=C5
InChI: InChI=1S/C27H38N2O2/c1-19-7-6-12-27(2)16-25-22(15-24(19)27)23(26(30)31-25)17-28-21-10-13-29(14-11-21)18-20-8-4-3-5-9-20/h3-5,8-9,21-25,28H,1,6-7,10-18H2,2H3/p+2/t22-,23-,24-,25-,27-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)N3C=C(C(=O)NC3=O)C)OC(=O)C4=CC=C(C=C4)C)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C34H32N2O9/c1-19-5-11-23(12-6-19)31(38)42-18-26-27(44-32(39)24-13-7-20(2)8-14-24)28(45-33(40)25-15-9-21(3)10-16-25)30(43-26)36-17-22(4)29(37)35-34(36)41/h5-17,26-28,30H,18H2,1-4H3,(H,35,37,41)/t26-,27-,28-,30+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3
InChI: InChI=1S/C21H25NO2/c1-15-8-6-13-20(16(15)2)22-21(23)17-9-7-12-19(14-17)24-18-10-4-3-5-11-18/h3-5,7,9-12,14-16,20H,6,8,13H2,1-2H3,(H,22,23)/t15-,16+,20+/m0/s1
SMILES: CC(=O)OCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H29NO12/c1-10(22)28-8-6-7-16(27)21-17-19(31-13(4)25)18(30-12(3)24)15(9-29-11(2)23)33-20(17)32-14(5)26/h15,17-20H,6-9H2,1-5H3,(H,21,27)/t15-,17-,18-,19-,20-/m1/s1
SMILES: CC1=C2C(=CC=C1)C(=CC(=N2)C3=CSC(=N3)NC(=O)C)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@@H]6/C=C\CCCCC[C@@H](C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)O
InChI: InChI=1S/C39H46N6O8S/c1-22-11-10-15-27-32(18-29(41-33(22)27)30-21-54-37(42-30)40-23(2)46)52-26-17-31-34(47)44-39(36(49)50)19-24(39)12-6-4-3-5-7-16-28(35(48)45(31)20-26)43-38(51)53-25-13-8-9-14-25/h6,10-12,15,18,21,24-26,28,31H,3-5,7-9,13-14,16-17,19-20H2,1-2H3,(H,43,51)(H,44,47)(H,49,50)(H,40,42,46)/b12-6-/t24-,26+,28-,31-,39+/m0/s1
SMILES: C[C@H](CC#C)C1=CC[C@@H]2[C@@]1(CCC[C@@H]2O[Si](C)(C)C)C
InChI: InChI=1S/C18H30OSi/c1-7-9-14(2)15-11-12-16-17(19-20(4,5)6)10-8-13-18(15,16)3/h1,11,14,16-17H,8-10,12-13H2,2-6H3/t14-,16+,17+,18-/m1/s1
SMILES: CC(=C)C[C@H]1[C@H]2C3=C(C=CC=C3Br)[C@@H]([NH2+]1)CC2(C)C
InChI: InChI=1S/C17H22BrN/c1-10(2)8-13-16-15-11(6-5-7-12(15)18)14(19-13)9-17(16,3)4/h5-7,13-14,16,19H,1,8-9H2,2-4H3/p+1/t13-,14-,16-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC(=O)NC3=O)COC(=O)CCCCCCCCC(=O)OC[C@@H]4[C@@H]5[C@H]([C@@H](O4)N6C=CC(=O)NC6=O)OC(O5)(C)C)C
InChI: InChI=1S/C34H46N4O14/c1-33(2)49-25-19(47-29(27(25)51-33)37-15-13-21(39)35-31(37)43)17-45-23(41)11-9-7-5-6-8-10-12-24(42)46-18-20-26-28(52-34(3,4)50-26)30(48-20)38-16-14-22(40)36-32(38)44/h13-16,19-20,25-30H,5-12,17-18H2,1-4H3,(H,35,39,43)(H,36,40,44)/t19-,20-,25-,26-,27-,28-,29-,30-/m1/s1
SMILES: C1[C@H]2[C@H](CS1(=O)=O)N(C(=O)N2C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4Cl
InChI: InChI=1S/C18H14ClF3N2O3S/c19-13-6-1-2-7-14(13)24-16-10-28(26,27)9-15(16)23(17(24)25)12-5-3-4-11(8-12)18(20,21)22/h1-8,15-16H,9-10H2/t15-,16-/m0/s1
SMILES: CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@]3([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/C25H44N4O8SSi2/c1-16(30)27-19-12-13-29(22(31)28-19)21-20(36-40(10,11)24(5,6)7)25(17(26)15-38(32,33)37-25)18(35-21)14-34-39(8,9)23(2,3)4/h12-13,15,18,20-21H,14,26H2,1-11H3,(H,27,28,30,31)/t18-,20+,21-,25+/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=CC=C7OCCO)C(=O)N(C5=O)C8=CC=C(C=C8)C9=NC1=CC=CC=C1O9
InChI: InChI=1S/C48H40N4O7/c1-28-15-19-31(20-16-28)50-52-45(55)37-27-36-33(42(34-11-5-7-13-39(34)58-26-25-53)48(37,47(52)57)30-9-3-2-4-10-30)23-24-35-41(36)46(56)51(44(35)54)32-21-17-29(18-22-32)43-49-38-12-6-8-14-40(38)59-43/h2-23,35-37,41-42,50,53H,24-27H2,1H3/t35-,36+,37-,41-,42+,48+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CSCCNC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])OC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C35H33N5O14S/c1-21(54-35(44)53-19-24-6-12-28(13-7-24)40(49)50)30-29-16-25(20-55-15-14-36-34(43)52-18-23-4-10-27(11-5-23)39(47)48)31(37(29)32(30)41)33(42)51-17-22-2-8-26(9-3-22)38(45)46/h2-13,21,29-30H,14-20H2,1H3,(H,36,43)/t21-,29-,30-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI: InChI=1S/C12H19N4O13P3/c1-25-9-8(17)7(4-26-31(21,22)29-32(23,24)28-30(18,19)20)27-12(9)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,17H,4H2,1H3,(H,21,22)(H,23,24)(H2,13,14,15)(H2,18,19,20)/t7-,8-,9-,12-/m1/s1
SMILES: C(CC(C(=O)NC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)[O-])[O-])[O-])[O-])[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+]
InChI: InChI=1S/C17H33N5O6/c18-5-2-8-20-7-1-4-11(21-9-3-6-19)16(26)22-10-12-13(23)14(24)15(25)17(27)28-12/h11-15,17,20-21H,1-10,18-19H2,(H,22,26)/q-4/p+4/t11?,12-,13+,14+,15-,17+/m1/s1
SMILES: C1[C@H](O[C@H]([C@@H]1O)N2C=C(C3=C(N=CN=C32)N)C(=S)N)CO
InChI: InChI=1S/C12H15N5O3S/c13-9-8-6(10(14)21)2-17(11(8)16-4-15-9)12-7(19)1-5(3-18)20-12/h2,4-5,7,12,18-19H,1,3H2,(H2,14,21)(H2,13,15,16)/t5-,7+,12+/m0/s1
SMILES: CCOC(=O)/C=C/[C@@H]1[C@H](N1C(=O)OC(C)(C)C)C(C)(C)C
InChI: InChI=1S/C16H27NO4/c1-8-20-12(18)10-9-11-13(15(2,3)4)17(11)14(19)21-16(5,6)7/h9-11,13H,8H2,1-7H3/b10-9+/t11-,13+,17?/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@]13C[C@@H](C[C@@H]([C@@H]2C)OC)C(O3)(C)C
InChI: InChI=1S/C16H28O2/c1-10-6-7-13-11(2)14(17-5)8-12-9-16(10,13)18-15(12,3)4/h10-14H,6-9H2,1-5H3/t10-,11-,12-,13-,14+,16+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)C(Cl)(Cl)Cl)CN4CCC[C@H]4COC
InChI: InChI=1S/C27H33Cl3N2O5/c1-17-23(14-32-13-3-4-22(32)16-35-2)36-25(37-24(17)19-7-5-18(15-33)6-8-19)20-9-11-21(12-10-20)31-26(34)27(28,29)30/h5-12,17,22-25,33H,3-4,13-16H2,1-2H3,(H,31,34)/t17-,22-,23+,24+,25+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@]23[C@@H]4CCC[C@@H]4[C@]2(C3(C)C)C5=CC=CC=C5
InChI: InChI=1S/C23H26/c1-16-12-14-18(15-13-16)23-20-11-7-10-19(20)22(23,21(23,2)3)17-8-5-4-6-9-17/h4-6,8-9,12-15,19-20H,7,10-11H2,1-3H3/t19-,20+,22-,23+/m0/s1
SMILES: COC1=CC(=CC(=C1[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)CCCCCC(=O)O)OC)O
InChI: InChI=1S/C34H29Cl2F5N2O9/c1-51-17-10-13(44)11-18(52-2)21(17)22-14-7-8-15-20(30(48)42(29(15)47)9-5-3-4-6-19(45)46)16(14)12-33(35)31(49)43(32(50)34(22,33)36)28-26(40)24(38)23(37)25(39)27(28)41/h7,10-11,15-16,20,22,44H,3-6,8-9,12H2,1-2H3,(H,45,46)/t15-,16+,20-,22+,33+,34-/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@@]2(C([C@@]1(C)C[C@@H](C3=CC(=O)OC3)OC(=O)C)[C@@H](CC[C@]24CO4)O)COC(=O)C)OC(=O)C
InChI: InChI=1S/C26H36O10/c1-14-8-21(36-17(4)29)26(13-33-15(2)27)23(19(30)6-7-25(26)12-34-25)24(14,5)10-20(35-16(3)28)18-9-22(31)32-11-18/h9,14,19-21,23,30H,6-8,10-13H2,1-5H3/t14-,19-,20+,21+,23?,24+,25+,26-/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC(=C(C(=C8Br)Br)O)OC)C(=O)N(C7=O)CC9=CC=CS9)C
InChI: InChI=1S/C40H33Br2ClN4O6S2/c1-17-22-12-18(43)7-10-28(22)55-35(17)26-15-29(45(3)44-26)47-37(50)25-13-23-20(8-9-21-30(23)38(51)46(36(21)49)16-19-6-5-11-54-19)31(40(25,2)39(47)52)24-14-27(53-4)34(48)33(42)32(24)41/h5-8,10-12,14-15,21,23,25,30-31,48H,9,13,16H2,1-4H3/t21-,23+,25-,30-,31+,40+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCCC(C(=O)N2CCCC2C(=O)N[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)NC(=O)OCC7=CC=CC=C7)N
InChI: InChI=1S/C45H62N6O7S/c1-29-13-16-33(17-14-29)59(56,57)50-42(46)47-25-7-11-37(48-43(55)58-28-30-9-5-4-6-10-30)41(54)51-26-8-12-38(51)40(53)49-39-20-19-35-34-18-15-31-27-32(52)21-23-44(31,2)36(34)22-24-45(35,39)3/h4-6,9-10,13-17,32,34-39,52H,7-8,11-12,18-28H2,1-3H3,(H,48,55)(H,49,53)(H3,46,47,50)/t32-,34-,35-,36-,37?,38?,39-,44-,45-/m0/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC=CC=C4O)C(=O)N(C3=O)C5=CC=C(C=C5)C(=O)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9
InChI: InChI=1S/C46H34N2O7/c49-37-14-8-7-13-33(37)38-32-23-24-34-39(45(54)47(43(34)52)30-19-15-28(16-20-30)41(50)26-9-3-1-4-10-26)35(32)25-36-40(38)46(55)48(44(36)53)31-21-17-29(18-22-31)42(51)27-11-5-2-6-12-27/h1-23,34-36,38-40,49H,24-25H2/t34-,35+,36+,38+,39-,40+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=C2I)C(=O)N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H18IN3O8/c1-6(20)24-4-9-11(25-7(2)21)12(26-8(3)22)15(27-9)19-5-18-10(13(19)16)14(17)23/h5,9,11-12,15H,4H2,1-3H3,(H2,17,23)/t9-,11-,12-,15-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]4[C@@H]3C=CC4
InChI: InChI=1S/C23H28OSi/c1-23(2,3)25(18-11-6-4-7-12-18,19-13-8-5-9-14-19)24-17-22-20-15-10-16-21(20)22/h4-15,20-22H,16-17H2,1-3H3/t20-,21+,22-/m0/s1
SMILES: C[C@]12C=CC3=C4CC=C(C=C4CCC3C1CC[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C24H38O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h9,14-16,21-23H,8,10-13H2,1-7H3/t21?,22?,23-,24-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@]2([C@@]([C@@H]3[C@H](O2)OC(O3)(C)C)(CCO)OCC4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C32H38O9S/c1-24-14-16-27(17-15-24)42(34,35)38-23-31(22-36-20-25-10-6-4-7-11-25)32(18-19-33,37-21-26-12-8-5-9-13-26)28-29(41-31)40-30(2,3)39-28/h4-17,28-29,33H,18-23H2,1-3H3/t28-,29-,31-,32-/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@]2(C(C(F)(F)F)(F)F)O)CCC4=C(C(=O)CCC34)Br
InChI: InChI=1S/C20H24BrF5O2/c1-17-8-6-11-10-4-5-15(27)16(21)13(10)3-2-12(11)14(17)7-9-18(17,28)19(22,23)20(24,25)26/h10-12,14,28H,2-9H2,1H3/t10?,11?,12?,14?,17-,18-/m0/s1
SMILES: C1CC[C@@]([C@@H](C1)C2=CC=CC=C2)(C#N)C(=O)N=[N+]=[N-]
InChI: InChI=1S/C14H14N4O/c15-10-14(13(19)17-18-16)9-5-4-8-12(14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-9H2/t12-,14-/m0/s1
SMILES: CCOC(=O)/C(=C/C(=C/[C@@H](C)[C@@H]([C@H]1[C@@H](O1)C=O)O[Si](C)(C)C(C)(C)C)/C)/C
InChI: InChI=1S/C21H36O5Si/c1-10-24-20(23)16(4)12-14(2)11-15(3)18(19-17(13-22)25-19)26-27(8,9)21(5,6)7/h11-13,15,17-19H,10H2,1-9H3/b14-11+,16-12+/t15-,17+,18+,19-/m1/s1
SMILES: CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N/N=C\3/C[C@@H]4[C@@H]3CC=C4
InChI: InChI=1S/C23H24N2O3/c1-2-27-19-10-12-20(13-11-19)28-15-16-6-8-17(9-7-16)23(26)25-24-22-14-18-4-3-5-21(18)22/h3-4,6-13,18,21H,2,5,14-15H2,1H3,(H,25,26)/b24-22-/t18-,21+/m1/s1
SMILES: CC1=CC(=C(C=C1)C(=O)N2[C@]([C@@H]3CCCC=C3N2)(C(F)(F)F)O)Cl
InChI: InChI=1S/C16H16ClF3N2O2/c1-9-6-7-10(12(17)8-9)14(23)22-15(24,16(18,19)20)11-4-2-3-5-13(11)21-22/h5-8,11,21,24H,2-4H2,1H3/t11-,15+/m1/s1
SMILES: COC1=CC=C(C=C1)O[C@@H]2[C@@H](N(C2=O)CCC3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C25H22FNO5/c1-29-19-7-9-20(10-8-19)32-24-23(17-4-11-21-22(14-17)31-15-30-21)27(25(24)28)13-12-16-2-5-18(26)6-3-16/h2-11,14,23-24H,12-13,15H2,1H3/t23-,24+/m0/s1
SMILES: CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C19H26ClNO/c1-3-13-7-8-17(20)16(4-2)19(13)21-18(22)11-15-10-12-5-6-14(15)9-12/h7-8,12,14-15H,3-6,9-11H2,1-2H3,(H,21,22)/t12-,14+,15-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCN(CC3)C(=O)C4=CC=CO4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=CC=C6C7=CC=CC=C7)C
InChI: InChI=1S/C44H50N2O5/c1-31-10-8-21-43(2)39(20-22-44(43,50)30-45-23-25-46(26-24-45)42(49)40-15-9-27-51-40)36-19-17-32(28-34(47)18-16-31)29-38(36)41(48)37-14-7-6-13-35(37)33-11-4-3-5-12-33/h3-7,9-15,17,19,27,29,34,39,47,50H,8,16,18,20-26,28,30H2,1-2H3/t34-,39-,43-,44+/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2C(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O
InChI: InChI=1S/C13H16O5S/c1-5(14)7-10(15)8-9(13(16)17)11(19-12(7)8)6-3-2-4-18-6/h5-8,12,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,8?,12-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(CO)O)O)O
InChI: InChI=1S/C25H26O10/c1-10-20(28)14(27)6-16(34-10)35-15-8-25(33,9-26)7-13-17(15)24(32)19-18(23(13)31)21(29)11-4-2-3-5-12(11)22(19)30/h2-5,10,14-16,20,26-28,31-33H,6-9H2,1H3/t10-,14-,15-,16+,20+,25+/m0/s1
SMILES: CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C20H19NO4/c1-2-12-7-8-14-13(10-18(22)25-17(14)9-12)11-21-19(23)15-5-3-4-6-16(15)20(21)24/h3-4,7-10,15-16H,2,5-6,11H2,1H3/t15-,16+
SMILES: C[C@H]1[C@@H]([C@@H]2[C@H]([C@@H](O1)OC)OC(O2)(C)C)OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H32O5/c1-20-24(25-26(27(30-4)31-20)33-28(2,3)32-25)34-29(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20,24-27H,1-4H3/t20-,24-,25+,26+,27+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C44H39N3O19S/c48-31-21-22-47(43(55)45-31)37-33(50)32(49)29(61-37)24-60-67(57,58)46-44(56)66-42-36(65-41(54)28-19-11-4-12-20-28)35(64-40(53)27-17-9-3-10-18-27)34(63-39(52)26-15-7-2-8-16-26)30(62-42)23-59-38(51)25-13-5-1-6-14-25/h1-22,29-30,32-37,42,49-50H,23-24H2,(H,46,56)(H,45,48,55)/t29-,30-,32-,33-,34-,35+,36-,37-,42-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CC/C=N/OCC3=CC=CC=C3)OC(=S)N4CCN=C4)C
InChI: InChI=1S/C21H27N3O5S/c1-21(2)28-18-17(27-20(30)24-12-11-22-14-24)16(26-19(18)29-21)9-6-10-23-25-13-15-7-4-3-5-8-15/h3-5,7-8,10,14,16-19H,6,9,11-13H2,1-2H3/b23-10+/t16-,17+,18-,19-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C22H23NO3/c1-15-7-12-19-20(13-15)22(25)23(21(19)24)17-8-10-18(11-9-17)26-14-16-5-3-2-4-6-16/h2-6,8-11,15,19-20H,7,12-14H2,1H3/t15-,19-,20-/m1/s1
SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CS/C=C\C#N)SC2)C(=O)O
InChI: InChI=1S/C15H15N7O4S3/c1-21-15(18-19-20-21)29-6-8-5-28-13-10(12(24)22(13)11(8)14(25)26)17-9(23)7-27-4-2-3-16/h2,4,10,13H,5-7H2,1H3,(H,17,23)(H,25,26)/b4-2-/t10-,13-/m1/s1
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)[C@@H](C)OC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C23H24N2O5/c1-13-20(17-9-5-6-10-18(17)24-13)21(27)14(2)30-19(26)11-12-25-22(28)15-7-3-4-8-16(15)23(25)29/h3-6,9-10,14-16,24H,7-8,11-12H2,1-2H3/t14-,15-,16+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=C(C(=O)NC2=O)/C(=C\I)/Br)CO
InChI: InChI=1S/C15H16BrIN2O8/c1-6(21)25-11-10(5-20)27-14(12(11)26-7(2)22)19-4-8(9(16)3-17)13(23)18-15(19)24/h3-4,10-12,14,20H,5H2,1-2H3,(H,18,23,24)/b9-3+/t10-,11-,12-,14-/m1/s1
SMILES: COC1=CC(=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)CCCCCC(=O)O)Br
InChI: InChI=1S/C41H38BrNO8/c1-51-32-20-25(42)19-30(38(32)48)36-26-16-17-27-35(40(50)43(39(27)49)18-10-4-9-15-34(45)46)29(26)21-31-37(47)28(23-11-5-2-6-12-23)22-33(44)41(31,36)24-13-7-3-8-14-24/h2-3,5-8,11-14,16,19-20,22,27,29,31,35-36,48H,4,9-10,15,17-18,21H2,1H3,(H,45,46)/t27-,29+,31-,35-,36+,41-/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(=N)C(Cl)(Cl)Cl)COCC5=CC=CC=C5)OP6(=O)OCC7=CC=CC=C7CO6
InChI: InChI=1S/C66H88Cl3N2O13P/c1-3-5-7-9-11-13-14-16-18-20-25-41-58(72)80-51(36-24-19-17-15-12-10-8-6-4-2)42-59(73)82-62-60(71-65(74)77-46-56-54-39-30-28-37-52(54)53-38-29-31-40-55(53)56)63(83-64(70)66(67,68)69)81-57(47-76-43-48-32-22-21-23-33-48)61(62)84-85(75)78-44-49-34-26-27-35-50(49)45-79-85/h21-23,26-35,37-40,51,56-57,60-63,70H,3-20,24-25,36,41-47H2,1-2H3,(H,71,74)/t51?,57-,60-,61-,62-,63?/m1/s1
SMILES: C1CCC(C1)(C2=CN(N=N2)C[C@H]3C[C@H]4CC[NH+]3C[C@@H]4C(=O)NCC5=CC6=C(C=C5)OCO6)O
InChI: InChI=1S/C24H31N5O4/c30-23(25-11-16-3-4-20-21(9-16)33-15-32-20)19-13-28-8-5-17(19)10-18(28)12-29-14-22(26-27-29)24(31)6-1-2-7-24/h3-4,9,14,17-19,31H,1-2,5-8,10-13,15H2,(H,25,30)/p+1/t17-,18-,19+/m1/s1
SMILES: CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)OCCCNC(=O)CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)N3
InChI: InChI=1S/C58H55N5O8/c1-33-5-11-36(12-6-33)51-41-21-23-43(60-41)52(37-13-7-34(2)8-14-37)45-25-27-47(62-45)54(48-28-26-46(63-48)53(44-24-22-42(51)61-44)38-15-9-35(3)10-16-38)39-17-19-40(20-18-39)69-30-4-29-59-50(65)32-70-58-57(68)56(67)55(66)49(31-64)71-58/h5-28,49,55-58,62-64,66-68H,4,29-32H2,1-3H3,(H,59,65)/t49-,55-,56+,57-,58+/m1/s1
SMILES: C[C@@H]1C(=O)O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]([C@@]1(C)O)(C)O
InChI: InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12-,15+,16-/m1/s1
SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C17H21ClN2O3/c1-23-15-5-4-13(18)9-14(15)17(22)20-19-16(21)8-12-7-10-2-3-11(12)6-10/h4-5,9-12H,2-3,6-8H2,1H3,(H,19,21)(H,20,22)/t10-,11+,12+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C(C(=N)C(C2=C1)C#N)(C#N)C#N)C3=CC=CC=C3
InChI: InChI=1S/C20H18N4/c1-13-7-8-15-16(9-13)17(10-21)19(24)20(11-22,12-23)18(15)14-5-3-2-4-6-14/h2-6,9,13,15,17-18,24H,7-8H2,1H3/t13-,15+,17?,18+/m1/s1
SMILES: CCCCCCCCCCCCS(=O)(=O)N1CC[C@H]2[C@@H]([C@H](CC[C@@]2(C1)C)O)C
InChI: InChI=1S/C23H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-18-28(26,27)24-17-15-21-20(2)22(25)14-16-23(21,3)19-24/h20-22,25H,4-19H2,1-3H3/t20-,21-,22-,23+/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)O)OC)C(=O)N(C5=O)C7=CC=C(C=C7)NC8=CC=CC=C8)C(=O)N(C3=O)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C46H38Cl2N4O7/c1-58-31-16-9-26(10-17-31)46-35(43(55)52(45(46)57)50-37-20-11-27(47)23-36(37)48)24-34-32(41(46)25-8-21-38(53)39(22-25)59-2)18-19-33-40(34)44(56)51(42(33)54)30-14-12-29(13-15-30)49-28-6-4-3-5-7-28/h3-18,20-23,33-35,40-41,49-50,53H,19,24H2,1-2H3/t33-,34+,35-,40-,41-,46+/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CCC(=O)[C@@H]4Br)C)C
InChI: InChI=1S/C24H37BrO3/c1-14(4-9-21(27)28)16-7-8-17-15-5-6-19-22(25)20(26)11-13-24(19,3)18(15)10-12-23(16,17)2/h14-19,22H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,22-,23-,24-/m1/s1
SMILES: CCC[C@@]1(CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)O
InChI: InChI=1S/C22H36O2/c1-4-10-22(24)13-9-19-17-6-5-15-14-16(23)7-11-20(15,2)18(17)8-12-21(19,22)3/h15,17-19,24H,4-14H2,1-3H3/t15-,17+,18-,19+,20-,21-,22-/m0/s1
SMILES: CC(=O)N[C@H]1CN([C@@H]2COC(O[C@H]2[C@@H]1O)C3=CC=CC=C3)C(=O)OC(C)(C)C
InChI: InChI=1S/C20H28N2O6/c1-12(23)21-14-10-22(19(25)28-20(2,3)4)15-11-26-18(27-17(15)16(14)24)13-8-6-5-7-9-13/h5-9,14-18,24H,10-11H2,1-4H3,(H,21,23)/t14-,15+,16+,17+,18?/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)P[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)C(C)C
InChI: InChI=1S/C20H39P/c1-13(2)17-9-7-15(5)11-19(17)21-20-12-16(6)8-10-18(20)14(3)4/h13-21H,7-12H2,1-6H3/t15-,16-,17+,18+,19-,20-/m1/s1
SMILES: CCP1(=O)[C@H]2C=C([C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=C4)C
InChI: InChI=1S/C17H18NO3P/c1-3-22(21)12-9-10(2)15(22)14-13(12)16(19)18(17(14)20)11-7-5-4-6-8-11/h4-9,12-15H,3H2,1-2H3/t12-,13+,14+,15+,22?/m0/s1
SMILES: CCOC(=O)N1[C@H]([C@@H](N2C1=N[C@H](C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C26H25N3O2/c1-2-31-26(30)29-24(21-16-10-5-11-17-21)23(20-14-8-4-9-15-20)28-18-22(27-25(28)29)19-12-6-3-7-13-19/h3-17,22-24H,2,18H2,1H3/t22-,23+,24+/m1/s1
SMILES: CCC1=CC=C(C=C1)CC2=C(N(N=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)OC)O)O)O)C(C)C)C
InChI: InChI=1S/C24H34N2O8/c1-6-15-7-9-16(10-8-15)11-17-14(4)26(13(2)3)25-22(17)34-23-21(29)20(28)19(27)18(33-23)12-32-24(30)31-5/h7-10,13,18-21,23,27-29H,6,11-12H2,1-5H3/t18-,19-,20+,21-,23+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)CCCC(=O)O)CSC5=CC=CC=C5C(=O)O
InChI: InChI=1S/C38H39NO8S/c1-24-32(23-48-33-10-5-4-9-31(33)37(44)45)46-38(47-36(24)27-15-13-25(22-40)14-16-27)28-19-17-26(18-20-28)30-8-3-2-7-29(30)21-39-34(41)11-6-12-35(42)43/h2-5,7-10,13-20,24,32,36,38,40H,6,11-12,21-23H2,1H3,(H,39,41)(H,42,43)(H,44,45)/t24-,32+,36+,38+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)N[C@@H](COC(=O)C)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H40N2O17/c1-11(31)38-9-17(19-21(41-14(4)34)24-26(45-19)47-28(7,8)46-24)29-27(37)30-25-23(43-16(6)36)22(42-15(5)35)20(40-13(3)33)18(44-25)10-39-12(2)32/h17-26H,9-10H2,1-8H3,(H2,29,30,37)/t17-,18+,19+,20+,21-,22-,23+,24+,25+,26+/m0/s1
SMILES: C1=CC(=CC(=C1)C(=O)O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C14H17NO8/c16-5-8-9(17)10(18)11(19)13(23-8)15-12(20)6-2-1-3-7(4-6)14(21)22/h1-4,8-11,13,16-19H,5H2,(H,15,20)(H,21,22)/t8-,9-,10+,11-,13-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H](C2=C3C(=C(C=C2OC1(C)C)OC)C(=O)C4=CC=CC=C4N3C)OC
InChI: InChI=1S/C23H25NO6/c1-12(25)29-22-21(28-6)18-16(30-23(22,2)3)11-15(27-5)17-19(18)24(4)14-10-8-7-9-13(14)20(17)26/h7-11,21-22H,1-6H3/t21-,22-/m1/s1
SMILES: CCN1C(=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)OC)O)C6=CC=CC=C6)NC7=CC=C(C=C7)C
InChI: InChI=1S/C36H35N3O6/c1-4-38-32(41)25-16-15-24-26(30(25)34(38)43)19-28-33(42)39(37-22-12-10-20(2)11-13-22)35(44)36(28,21-8-6-5-7-9-21)31(24)27-18-23(45-3)14-17-29(27)40/h5-15,17-18,25-26,28,30-31,37,40H,4,16,19H2,1-3H3/t25-,26+,28-,30-,31+,36+/m0/s1
SMILES: CC(=O)N1[C@@H]2[C@H]1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(C5(C4=O)OCCO5)SC6=CC=CC=C6)COC(=O)N)OC
InChI: InChI=1S/C24H25N3O8S/c1-12(28)27-15-10-26-17-16(14(11-33-22(25)31)23(26,32-2)19(15)27)20(30)24(34-8-9-35-24)21(18(17)29)36-13-6-4-3-5-7-13/h3-7,14-15,19,21H,8-11H2,1-2H3,(H2,25,31)/t14-,15+,19+,21?,23-,27?/m1/s1
SMILES: CCOC(=O)C1=CN=C2C(=C1N[C@@H]3CCCC[C@@H]3C)C=CC(=C2Cl)Cl
InChI: InChI=1S/C19H22Cl2N2O2/c1-3-25-19(24)13-10-22-18-12(8-9-14(20)16(18)21)17(13)23-15-7-5-4-6-11(15)2/h8-11,15H,3-7H2,1-2H3,(H,22,23)/t11-,15+/m0/s1
SMILES: C[C@H]1C[C@@H]2CN3[C@@H]4C[C@]5([C@@H]6CC(=C[C@@H]([C@H]6CC(=O)[C@@H]5[C@]7([C@@]4(C[C@@H]([C@@]3(C1)O2)C(=O)C7)C)C)O)C)C
InChI: InChI=1S/C29H41NO4/c1-15-7-19-18(21(31)8-15)9-22(32)25-26(19,3)13-24-27(4)11-20(23(33)12-28(25,27)5)29-10-16(2)6-17(34-29)14-30(24)29/h8,16-21,24-25,31H,6-7,9-14H2,1-5H3/t16-,17+,18-,19+,20+,21-,24+,25-,26-,27+,28-,29+/m0/s1