EdisonScientific/glyph-datasets huggingface dataset:
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)NC5=CC=C(C=C5)OC6=CC=CC=C6)CN(CC=C)C7CCCC7
InChI: InChI=1S/C47H51N3O5/c1-3-29-50(40-12-8-9-13-40)31-44-33(2)45(36-19-17-34(32-51)18-20-36)55-46(54-44)37-23-21-35(22-24-37)43-16-10-7-11-38(43)30-48-47(52)49-39-25-27-42(28-26-39)53-41-14-5-4-6-15-41/h3-7,10-11,14-28,33,40,44-46,51H,1,8-9,12-13,29-32H2,2H3,(H2,48,49,52)/t33-,44+,45+,46+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC2=C(N=C3N2C=C(C=C3)Cl)C4=CSC=C4
InChI: InChI=1S/C19H22ClN3S/c1-12-4-3-5-16(13(12)2)21-19-18(14-8-9-24-11-14)22-17-7-6-15(20)10-23(17)19/h6-13,16,21H,3-5H2,1-2H3/t12-,13+,16+/m0/s1
SMILES: COC(=O)/C=C/CN1[C@@H]([C@@H](C1=O)OC2=CC=CC=C2)C#C
InChI: InChI=1S/C16H15NO4/c1-3-13-15(21-12-8-5-4-6-9-12)16(19)17(13)11-7-10-14(18)20-2/h1,4-10,13,15H,11H2,2H3/b10-7+/t13-,15+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N=[N+]=[N-])N)CO)O
InChI: InChI=1S/C10H12N8O3/c11-8-7-9(15-10(14-8)16-17-12)18(3-13-7)6-1-4(20)5(2-19)21-6/h3-6,19-20H,1-2H2,(H2,11,14,15)/t4-,5+,6+/m0/s1
SMILES: C[C@H](C/C=C(/F)\S(=O)(=O)C(C)(C)C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C
InChI: InChI=1S/C27H41FO4S/c1-18(8-13-25(28)33(31,32)26(2,3)4)23-11-12-24-20(7-6-14-27(23,24)5)10-9-19-15-21(29)17-22(30)16-19/h9-11,13,18,21-22,24,29-30H,6-8,12,14-17H2,1-5H3/b20-10+,25-13-/t18-,21-,22-,24+,27-/m1/s1
SMILES: C1[C@@H]2[C@@H]([C@H]([C@@]3(N2CS1)C4=C(C=CC(=C4)F)NC3=O)C(=O)C5=CC6=C(C=C5)OCO6)C7=CC=CC=C7
InChI: InChI=1S/C27H21FN2O4S/c28-17-7-8-19-18(11-17)27(26(32)29-19)24(25(31)16-6-9-21-22(10-16)34-14-33-21)23(15-4-2-1-3-5-15)20-12-35-13-30(20)27/h1-11,20,23-24H,12-14H2,(H,29,32)/t20-,23+,24+,27+/m1/s1
SMILES: C1[C@H]2C[C@H]3[C@@H]1[C@@H]([C@H]2C(=O)NC4=CC=C(C=C4)Cl)C(=O)O3
InChI: InChI=1S/C15H14ClNO3/c16-8-1-3-9(4-2-8)17-14(18)12-7-5-10-11(6-7)20-15(19)13(10)12/h1-4,7,10-13H,5-6H2,(H,17,18)/t7-,10+,11-,12-,13-/m0/s1
SMILES: C[C@H]1[C@H]2[C@@H](CO[Si](O[Si](O2)(C(C)C)C(C)C)(C(C)C)C(C)C)O[C@H]1N3C=NC4=C3N=CN=C4OC5=C(C=CC=C5Cl)Cl
InChI: InChI=1S/C29H42Cl2N4O5Si2/c1-16(2)41(17(3)4)36-13-23-25(39-42(40-41,18(5)6)19(7)8)20(9)29(37-23)35-15-34-24-27(35)32-14-33-28(24)38-26-21(30)11-10-12-22(26)31/h10-12,14-20,23,25,29H,13H2,1-9H3/t20-,23+,25-,29+/m0/s1
SMILES: C[C@H](C(=O)NC1=C(C=C(C=C1)F)Cl)[NH+]2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C18H24ClFN2O/c1-12(18(23)21-17-7-6-15(20)10-16(17)19)22-9-8-13-4-2-3-5-14(13)11-22/h6-7,10,12-14H,2-5,8-9,11H2,1H3,(H,21,23)/p+1/t12-,13+,14-/m1/s1
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)COC(=O)[C@@H]3C[C@@H]3C
InChI: InChI=1S/C17H21NO5S/c1-3-22-17(21)14-10-5-4-6-12(10)24-15(14)18-13(19)8-23-16(20)11-7-9(11)2/h9,11H,3-8H2,1-2H3,(H,18,19)/t9-,11+/m0/s1
SMILES: CC1([C@@H]2[C@H]1C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54)C
InChI: InChI=1S/C22H28N4O2S/c1-22(2)17-18(22)21(28)26(20(17)27)10-6-5-9-24-11-13-25(14-12-24)19-15-7-3-4-8-16(15)29-23-19/h3-4,7-8,17-18H,5-6,9-14H2,1-2H3/t17-,18+
SMILES: CC(CC(=O)/C=C(/C)\C1C[C@]([C@@]2([C@@]1(CC(=O)C3=C2[C@](C[C@@]4(C3(CCC(=O)C4(C)C)C)C)(C)O)C)C)(C)O)C(=O)O
InChI: InChI=1S/C33H48O7/c1-18(13-20(34)14-19(2)26(37)38)21-15-32(9,40)33(10)25-24(22(35)16-29(21,33)6)28(5)12-11-23(36)27(3,4)31(28,8)17-30(25,7)39/h13,19,21,39-40H,11-12,14-17H2,1-10H3,(H,37,38)/b18-13-/t19?,21?,28?,29-,30-,31+,32+,33+/m1/s1
SMILES: C1CN(CCC12CSC3=CC=CC=C23)C[C@H]4CC(C[C@@H]4C5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C31H35NOS/c1-3-9-24(10-4-1)22-33-27-19-26(28(20-27)25-11-5-2-6-12-25)21-32-17-15-31(16-18-32)23-34-30-14-8-7-13-29(30)31/h1-14,26-28H,15-23H2/t26-,27?,28-/m1/s1
SMILES: C=CC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@@H]5[C@H]([C@H]4C6=C(C=CC7=CC=CC=C76)O)C(=O)N(C5=O)C8=CC=C(C=C8)C=C
InChI: InChI=1S/C40H32N2O5/c1-3-22-9-14-25(15-10-22)41-37(44)29-19-18-28-30(33(29)39(41)46)21-31-36(35(28)34-27-8-6-5-7-24(27)13-20-32(34)43)40(47)42(38(31)45)26-16-11-23(4-2)12-17-26/h3-18,20,29-31,33,35-36,43H,1-2,19,21H2/t29-,30+,31+,33-,35+,36+/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@H]([C@@H](C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H19NO/c1-16-12-14-19(15-13-16)23-21(18-10-6-3-7-11-18)20(22(23)24)17-8-4-2-5-9-17/h2-15,20-21H,1H3/t20-,21-/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NC(=O)C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H44F3N3O9SSi2/c1-16-13-33(23(36)32(8)20(16)34)21-19(41-45(11,12)25(5,6)7)26(18(40-21)14-39-44(9,10)24(2,3)4)17(15-43(37,38)42-26)31-22(35)27(28,29)30/h13,15,18-19,21H,14H2,1-12H3,(H,31,35)/t18-,19+,21-,26-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C[C@@H](C3=C2C1=C(C=C3C)OC)C=C(C)C)C
InChI: InChI=1S/C21H30O/c1-12(2)9-16-10-14(4)17-8-7-13(3)20-18(22-6)11-15(5)19(16)21(17)20/h9,11,13-14,16-17H,7-8,10H2,1-6H3/t13-,14-,16+,17+/m1/s1
SMILES: C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2[C@H](C3=C(C(=CC(=C3)C(=O)OC)OCC4=CC=CC=C4)C5=C(C6=C(C(=CC=C6)OCC7=CC=CC=C7)C(=C25)OC)OC)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9
InChI: InChI=1S/C56H50O12/c1-34-42(66-55(58)37-22-13-7-14-23-37)28-29-45(65-34)67-53-49-48(50(60-2)40-26-17-27-43(47(40)52(49)61-3)63-32-35-18-9-5-10-19-35)46-41(51(53)68-56(59)38-24-15-8-16-25-38)30-39(54(57)62-4)31-44(46)64-33-36-20-11-6-12-21-36/h5-27,30-31,34,42,45,51,53H,28-29,32-33H2,1-4H3/t34-,42-,45-,51-,53-/m0/s1
SMILES: CC1=C(C(=CC=C1)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)O4
InChI: InChI=1S/C16H15NO3/c1-8-4-3-5-9(2)14(8)17-15(18)12-10-6-7-11(20-10)13(12)16(17)19/h3-7,10-13H,1-2H3/t10-,11+,12-,13-/m0/s1
SMILES: CC1=C(C(=CC=C1)Cl)N2[C@@H]3[C@@H]([C@H]([C@H](O3)[C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC2=O
InChI: InChI=1S/C20H23ClN2O8/c1-9-6-5-7-13(21)16(9)23-19-15(22-20(23)27)18(30-12(4)26)17(31-19)14(29-11(3)25)8-28-10(2)24/h5-7,14-15,17-19H,8H2,1-4H3,(H,22,27)/t14-,15-,17-,18-,19+/m1/s1
SMILES: CC1(O[C@@H]([C@@H](O1)C(=O)[C@@H](CCCO)OCC2=CC=CC=C2)C(OC)OCC3=CC=C(C=C3)OC)C
InChI: InChI=1S/C27H36O8/c1-27(2)34-24(23(29)22(11-8-16-28)32-17-19-9-6-5-7-10-19)25(35-27)26(31-4)33-18-20-12-14-21(30-3)15-13-20/h5-7,9-10,12-15,22,24-26,28H,8,11,16-18H2,1-4H3/t22-,24+,25+,26?/m1/s1
SMILES: C1CC[C@@]2(CC[NH2+][C@@H]([C@H]2C1)C3=CC=CC=C3Cl)O
InChI: InChI=1S/C15H20ClNO/c16-13-7-2-1-5-11(13)14-12-6-3-4-8-15(12,18)9-10-17-14/h1-2,5,7,12,14,17-18H,3-4,6,8-10H2/p+1/t12-,14-,15+/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@@]4([C@@H]3CC[C@@]2([C@@]1(C(=O)C)O)C)C)O
InChI: InChI=1S/C22H36O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h13,15-19,24-25H,5-12H2,1-4H3/t13-,15+,16+,17+,18+,19+,20-,21-,22+/m0/s1
SMILES: C1[C@H]2[C@H]3C=C[C@H]([C@@H]([C@H]2O1)C3=CCO)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C17H17NO4/c19-8-7-13-10-5-6-12(16(13)17-14(10)9-22-17)11-3-1-2-4-15(11)18(20)21/h1-7,10,12,14,16-17,19H,8-9H2/t10-,12-,14-,16+,17-/m0/s1
SMILES: CC1(O[C@@H]([C@@H](O1)C2=CC=CC=C2)CC#CCOCC(Cl)(Cl)Cl)C
InChI: InChI=1S/C17H19Cl3O3/c1-16(2)22-14(10-6-7-11-21-12-17(18,19)20)15(23-16)13-8-4-3-5-9-13/h3-5,8-9,14-15H,10-12H2,1-2H3/t14-,15+/m1/s1
SMILES: C[C@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@@H]4CN5CCC(CC5)CC6=CC=CC=C6)C
InChI: InChI=1S/C27H37NO3/c1-18-7-6-12-26(2)16-22-23(24-27(18,26)31-24)21(25(29)30-22)17-28-13-10-20(11-14-28)15-19-8-4-3-5-9-19/h3-5,8-9,18,20-24H,6-7,10-17H2,1-2H3/t18-,21+,22+,23+,24-,26+,27-/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC(C)(C)C)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)SC5=CC6=CC=CC=C6C=C5)OCC=C
InChI: InChI=1S/C54H76N2O7S/c1-6-8-9-10-11-12-13-14-15-20-31-55-52(59)61-42-28-30-48-46(37-42)50-44(26-19-22-33-58)41(25-18-21-32-57)36-45-47(56-63-53(3,4)5)38-49(54(62-48,51(45)50)60-34-7-2)64-43-29-27-39-23-16-17-24-40(39)35-43/h7,16-17,23-24,27-30,35-37,41,44,49-51,57-58H,2,6,8-15,18-22,25-26,31-34,38H2,1,3-5H3,(H,55,59)/t41-,44+,49-,50+,51+,54+/m0/s1
SMILES: COC1=CC(=CC2=C1OCO2)[C@@H]3[C@H]4CO[C@@H]([C@H]4CO3)C5=CC(=C(C(=C5)OC)OC)OC
InChI: InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3/t14-,15-,20+,21+/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C([C@@H](O4)N5C=CC(=O)NC5=O)NC(=O)C(=O)OC)O
InChI: InChI=1S/C33H33N3O10/c1-42-23-13-9-21(10-14-23)33(20-7-5-4-6-8-20,22-11-15-24(43-2)16-12-22)45-19-25-28(38)27(35-29(39)31(40)44-3)30(46-25)36-18-17-26(37)34-32(36)41/h4-18,25,27-28,30,38H,19H2,1-3H3,(H,35,39)(H,34,37,41)/t25-,27?,28-,30-/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4=C(C=CC=C4C)C
InChI: InChI=1S/C24H25NO4/c1-14-7-12-19-20(13-14)23(27)25(22(19)26)18-10-8-17(9-11-18)24(28)29-21-15(2)5-4-6-16(21)3/h4-6,8-11,14,19-20H,7,12-13H2,1-3H3/t14-,19-,20+/m0/s1
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O
InChI: InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)52-7-18-27(54-31(48)9-3-14(37)22(42)15(38)4-9)28-29(34(51)53-18)56-33(50)11-6-17(40)24(44)26(46)20(11)19-10(32(49)55-28)5-16(39)23(43)25(19)45/h1-6,18,27-29,34-46,51H,7H2/t18-,27-,28+,29-,34?/m1/s1
SMILES: C1CC[C@@]23[C@@H](C1)[C@H](C=C(N2C4=CC(=O)C=CC4=N3)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C27H24N2O/c30-21-14-15-24-26(17-21)29-25(20-11-5-2-6-12-20)18-22(19-9-3-1-4-10-19)23-13-7-8-16-27(23,29)28-24/h1-6,9-12,14-15,17-18,22-23H,7-8,13,16H2/t22-,23+,27+/m1/s1
SMILES: C[C@]12CCCC[C@H]1CC[C@@H]3[C@H]2CC[C@]\4([C@H]3CC/C4=N/N=C\C5=CC=C(C=C5)N(C)C)C
InChI: InChI=1S/C28H41N3/c1-27-17-6-5-7-21(27)10-13-23-24-14-15-26(28(24,2)18-16-25(23)27)30-29-19-20-8-11-22(12-9-20)31(3)4/h8-9,11-12,19,21,23-25H,5-7,10,13-18H2,1-4H3/b29-19-,30-26-/t21-,23-,24-,25+,27-,28-/m0/s1
SMILES: CC1=CN2C(=NC(=CC2=O)COC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)C=C1
InChI: InChI=1S/C20H21N3O5/c1-12-6-7-16-21-13(8-17(24)22(16)9-12)11-28-18(25)10-23-19(26)14-4-2-3-5-15(14)20(23)27/h6-9,14-15H,2-5,10-11H2,1H3/t14-,15-/m1/s1
SMILES: CC[NH2+]CCCC[NH2+]C[C@H]1C[C@@H]1C[NH2+]CCCC[NH2+]C[C@@H]2C[C@H]2C[NH2+]CCCC[NH2+]CC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChI: InChI=1S/C26H56N6.6ClH/c1-3-27-11-5-7-13-29-19-23-17-25(23)21-31-15-9-10-16-32-22-26-18-24(26)20-30-14-8-6-12-28-4-2;;;;;;/h23-32H,3-22H2,1-2H3;6*1H/t23-,24+,25-,26+;;;;;;
SMILES: CCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C19H28N2O6/c1-2-3-4-5-6-7-8-13-9-12-10-21(19(25)20-17(12)26-13)18-16(24)15(23)14(11-22)27-18/h9-10,14-16,18,22-24H,2-8,11H2,1H3/t14-,15-,16+,18-/m1/s1
SMILES: CC/C=C/C(CC)C[C@]1(C[C@]2([C@@H](O1)CC(=O)O2)CC)CC
InChI: InChI=1S/C18H30O3/c1-5-9-10-14(6-2)12-17(7-3)13-18(8-4)15(20-17)11-16(19)21-18/h9-10,14-15H,5-8,11-13H2,1-4H3/b10-9+/t14?,15-,17-,18-/m0/s1
SMILES: C[C@]1(CC[C@@H]([C@H]([C@H]1[C@@H]2[C@H](COC(O2)(C)C)C(C)(C)C=C)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O[Si](C)(C)C(C)(C)C)COCC5=CC=CC=C5
InChI: InChI=1S/C49H74O5Si2/c1-15-47(8,9)41-35-51-48(10,11)53-44(41)43-40(34-52-56(46(5,6)7,38-27-21-17-22-28-38)39-29-23-18-24-30-39)42(54-55(13,14)45(2,3)4)31-32-49(43,12)36-50-33-37-25-19-16-20-26-37/h15-30,40-44H,1,31-36H2,2-14H3/t40-,41+,42+,43+,44+,49+/m1/s1
SMILES: CC(CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)CO
InChI: InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15?,16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
SMILES: C[C@@H]1CC[C@H](C(C1)OC(=O)[C@]23CCCC(=O)[C@H]2CC3)C(C)(C)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C25H33NO5/c1-16-6-11-20(24(2,3)17-7-9-18(10-8-17)26(29)30)22(15-16)31-23(28)25-13-4-5-21(27)19(25)12-14-25/h7-10,16,19-20,22H,4-6,11-15H2,1-3H3/t16-,19-,20-,22?,25+/m1/s1
SMILES: C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC
InChI: InChI=1S/C42H66O14/c1-37(2)25-10-13-41(6)26(9-8-21-22-18-38(3,36(51)52-7)14-16-42(22,35(49)50)17-15-40(21,41)5)39(25,4)12-11-27(37)55-33-31(48)32(23(44)20-53-33)56-34-30(47)29(46)28(45)24(19-43)54-34/h8,22-34,43-48H,9-20H2,1-7H3,(H,49,50)/t22?,23-,24+,25?,26+,27-,28+,29-,30+,31+,32-,33-,34-,38+,39-,40+,41+,42-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@@]2(CC3=C1N=C(S3)N)C)[C@H](C)C(=O)N(C)CC=C)O
InChI: InChI=1S/C20H31N3O2S/c1-6-9-23(5)18(25)11(2)13-7-8-20(4)10-14-16(22-19(21)26-14)12(3)15(20)17(13)24/h6,11-13,15,17,24H,1,7-10H2,2-5H3,(H2,21,22)/t11-,12-,13-,15+,17-,20+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=CC(=C(C(=C6)Cl)O)OC)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C43H34ClNO7/c1-23(46)24-13-15-28(16-14-24)45-41(50)30-18-17-29-32(37(30)42(45)51)21-33-39(48)31(25-9-5-3-6-10-25)22-36(47)43(33,27-11-7-4-8-12-27)38(29)26-19-34(44)40(49)35(20-26)52-2/h3-17,19-20,22,30,32-33,37-38,49H,18,21H2,1-2H3/t30-,32+,33-,37-,38-,43-/m0/s1
SMILES: CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[C@H]4CCCC[C@H]4C3
InChI: InChI=1S/C23H28N2O3S/c1-17-6-4-10-21(14-17)24-29(27,28)22-11-5-9-19(15-22)23(26)25-13-12-18-7-2-3-8-20(18)16-25/h4-6,9-11,14-15,18,20,24H,2-3,7-8,12-13,16H2,1H3/t18-,20+/m1/s1
SMILES: CCCCCCCCCCCC[N+]1=CC2=C(CC[C@@H]3[C@H]2N(CC3)C)C=C1.[I-]
InChI: InChI=1S/C24H41N2.HI/c1-3-4-5-6-7-8-9-10-11-12-17-26-19-16-21-13-14-22-15-18-25(2)24(22)23(21)20-26;/h16,19-20,22,24H,3-15,17-18H2,1-2H3;1H/q+1;/p-1/t22-,24+;/m0./s1
SMILES: C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCF)OC(=O)[C@H]5CCCO5)C)O)F)C)F
InChI: InChI=1S/C27H33F3O7/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)36-13-28)37-22(33)20-5-4-8-35-20/h6-7,10,14,16-17,19-21,32H,4-5,8-9,11-13H2,1-3H3/t14-,16?,17?,19+,20-,21+,24+,25+,26+,27+/m1/s1
SMILES: CN(CC=C)C(=O)[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CN3C=C(N=N3)CCO
InChI: InChI=1S/C17H27N5O2/c1-3-6-20(2)17(24)16-12-21-7-4-13(16)9-15(21)11-22-10-14(5-8-23)18-19-22/h3,10,13,15-16,23H,1,4-9,11-12H2,2H3/p+1/t13-,15+,16-/m0/s1
SMILES: CC(=O)N[C@@H](CS[C@H]1[C@@H](C=CC2=CC=CC=C12)O)C(=O)O
InChI: InChI=1S/C15H17NO4S/c1-9(17)16-12(15(19)20)8-21-14-11-5-3-2-4-10(11)6-7-13(14)18/h2-7,12-14,18H,8H2,1H3,(H,16,17)(H,19,20)/t12-,13+,14+/m0/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=CC=C5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)SCCC7=NC=CN=C7)OCC=C)C=O
InChI: InChI=1S/C48H55N3O8S/c1-3-24-56-48-45(60-25-19-36-30-49-20-21-50-36)29-42(51-57-32-33-11-5-4-6-12-33)40-27-34(13-7-9-22-52)39(14-8-10-23-53)46(47(40)48)41-28-38(16-18-44(41)59-48)58-37-15-17-43(55-2)35(26-37)31-54/h3-6,11-12,15-18,20-21,26-28,30-31,34,39,45-47,52-53H,1,7-10,13-14,19,22-25,29,32H2,2H3/t34-,39+,45-,46+,47+,48+/m0/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C3=C(N(C(=C3C)C(=O)C)CC4=CC=CC=C4)C)SC1)C(=O)O
InChI: InChI=1S/C24H25N3O5S/c1-12-11-33-23-18(22(30)27(23)19(12)24(31)32)25-21(29)17-13(2)20(15(4)28)26(14(17)3)10-16-8-6-5-7-9-16/h5-9,18,23H,10-11H2,1-4H3,(H,25,29)(H,31,32)/t18-,23-/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2OC(=O)C3=CC=CC=C3)C)[C@H](C#CC(C)(C)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C31H48O4Si/c1-22(26(32)19-21-30(5,6)35-36(8,9)29(2,3)4)24-17-18-25-27(16-13-20-31(24,25)7)34-28(33)23-14-11-10-12-15-23/h10-12,14-15,22,24-27,32H,13,16-18,20H2,1-9H3/t22-,24+,25-,26-,27-,31+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OCCCBr
InChI: InChI=1S/C21H27BrO2/c1-21-10-9-17-16-6-4-15(24-12-2-11-22)13-14(16)3-5-18(17)19(21)7-8-20(21)23/h4,6,13,17-19H,2-3,5,7-12H2,1H3/t17-,18-,19+,21+/m1/s1
SMILES: CCCCCCCC(=O)N(CC1=CC=C(C=C1)Cl)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C30H38ClIN2O5/c1-2-3-4-5-6-11-28(36)34(20-21-12-14-23(31)15-13-21)25-18-22(30(38)33-16-17-35)19-27(29(25)37)39-26-10-8-7-9-24(26)32/h7-10,12-15,19,25,27,29,35,37H,2-6,11,16-18,20H2,1H3,(H,33,38)/t25-,27+,29+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2CC34[C@H]([C@H]2C(=O)OC)N([C@H]3C(=O)C4=O)C
InChI: InChI=1S/C18H19NO4/c1-9-4-6-10(7-5-9)11-8-18-14(12(11)17(22)23-3)19(2)15(18)13(20)16(18)21/h4-7,11-12,14-15H,8H2,1-3H3/t11-,12-,14-,15-,18?/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CCNCC2=CC=CC=C2
InChI: InChI=1S/C16H18N2O4S.C15H17N/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,16H,11-13H2/t11-,12+,14-;/m1./s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C26H27NO4/c1-3-26(28)15-13-24-23-10-4-17-16-20(31-19-7-5-18(6-8-19)27(29)30)9-11-21(17)22(23)12-14-25(24,26)2/h1,5-9,11,16,22-24,28H,4,10,12-15H2,2H3/t22-,23+,24+,25+,26+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CCNC(=O)OCC3=CC=CC=C3)OC)O)OC
InChI: InChI=1S/C24H31NO7/c1-16-21(28-2)20(26)22(29-3)23(31-16)32-19-11-9-17(10-12-19)13-14-25-24(27)30-15-18-7-5-4-6-8-18/h4-12,16,20-23,26H,13-15H2,1-3H3,(H,25,27)/t16-,20+,21-,22+,23-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=C(C(=CC(=C6)Br)OC)O
InChI: InChI=1S/C32H22BrF6NO6/c1-12-5-22(41)20-11-19-17(24(26(20)27(12)42)21-9-15(33)10-23(46-2)28(21)43)3-4-18-25(19)30(45)40(29(18)44)16-7-13(31(34,35)36)6-14(8-16)32(37,38)39/h3,5-10,18-19,24-25,43H,4,11H2,1-2H3/t18-,19+,24+,25-/m0/s1
SMILES: CC(C)C[C@@H]1[C@@H]([C@H]([C@H](N(C(=O)N1CC2=CC(=CC=C2)C(=O)NC3=NC4=CC=CC=C4N3)CC5=CC(=CC=C5)C(=O)NC6=NC7=CC=CC=C7N6)CC8=CC=CC=C8)O)O
InChI: InChI=1S/C46H46N8O5/c1-28(2)22-38-40(55)41(56)39(25-29-12-4-3-5-13-29)54(27-31-15-11-17-33(24-31)43(58)52-45-49-36-20-8-9-21-37(36)50-45)46(59)53(38)26-30-14-10-16-32(23-30)42(57)51-44-47-34-18-6-7-19-35(34)48-44/h3-21,23-24,28,38-41,55-56H,22,25-27H2,1-2H3,(H2,47,48,51,57)(H2,49,50,52,58)/t38-,39-,40+,41+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=C(C=C5)OCCO)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)C(=O)N(C2=O)C9=CC(=C(C=C9)F)Cl
InChI: InChI=1S/C42H33ClFN3O7/c1-42-30(39(50)47(41(42)52)25-12-17-32(44)31(43)20-25)21-29-27(36(42)22-8-13-26(14-9-22)53-19-18-48)15-16-28-35(29)40(51)46(38(28)49)24-10-6-23(7-11-24)37-45-33-4-2-3-5-34(33)54-37/h2-15,17,20,28-30,35-36,48H,16,18-19,21H2,1H3/t28-,29+,30-,35-,36-,42+/m0/s1
SMILES: CC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1[C@@H]3[C@H](O2)OC(O3)(C)C)O
InChI: InChI=1S/C13H20O5/c1-6(14)9-7(15)4-5-8-10(9)11-12(16-8)18-13(2,3)17-11/h7-12,15H,4-5H2,1-3H3/t7-,8+,9-,10-,11+,12+/m0/s1
SMILES: COC1=CC(=CC(=C1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CC3=CC(=CC=C3)C(=O)NC4=CC=CC=N4)CC5=CC=CC=C5)O)O)CC6=CC=CC=C6)OC
InChI: InChI=1S/C41H42N4O6/c1-50-33-21-31(22-34(25-33)51-2)27-45-36(24-29-14-7-4-8-15-29)39(47)38(46)35(23-28-12-5-3-6-13-28)44(41(45)49)26-30-16-11-17-32(20-30)40(48)43-37-18-9-10-19-42-37/h3-22,25,35-36,38-39,46-47H,23-24,26-27H2,1-2H3,(H,42,43,48)/t35-,36-,38+,39+/m1/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(C[C@H](C/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)CCO)C
InChI: InChI=1S/C29H48O4/c1-19(7-6-13-28(3,4)33)25-10-11-26-23(15-21(12-14-30)18-29(25,26)5)9-8-22-16-24(31)17-27(32)20(22)2/h8-9,19,21,24-27,30-33H,2,6-7,10-18H2,1,3-5H3/b22-8-,23-9+/t19-,21+,24-,25-,26+,27+,29-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C18H25O5P/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H2,20,21,22)/t14-,15-,16+,17-,18-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)CCC=O)OC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C22H24Cl2O2/c23-19-11-7-17(8-12-19)22(18-9-13-20(24)14-10-18)26-21-6-2-1-4-16(21)5-3-15-25/h7-16,21-22H,1-6H2/t16-,21+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@H]2C[C@@H]2/C(=N\OCC3=CC=CC=C3F)/C
InChI: InChI=1S/C21H24FNO/c1-14(2)16-8-10-17(11-9-16)20-12-19(20)15(3)23-24-13-18-6-4-5-7-21(18)22/h4-11,14,19-20H,12-13H2,1-3H3/b23-15-/t19-,20-/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]\2[C@@H](C=C3/C2=C\C#C[C@@H]4[C@@](O4)(C#C3)[C@H]5COC(=O)O5)OC(=O)C6=C(C=CC7=C6C=C(C=C7C)OC)O)O)O)O
InChI: InChI=1S/C34H30O13/c1-15-11-18(41-3)13-21-19(15)7-8-22(35)26(21)31(39)44-23-12-17-9-10-34(25-14-42-33(40)45-25)24(47-34)6-4-5-20(17)30(23)46-32-29(38)28(37)27(36)16(2)43-32/h5,7-8,11-13,16,23-25,27-30,32,35-38H,14H2,1-3H3/b20-5+/t16-,23-,24-,25-,27+,28+,29-,30-,32-,34+/m1/s1
SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OCC8=CC=C(S8)[N+](=O)[O-])OC)O)O
InChI: InChI=1S/C34H35NO15S/c1-14-43-12-24-32(48-14)28(36)29(37)34(49-24)50-30-18-9-21-20(46-13-47-21)8-17(18)26(27-19(30)11-45-33(27)38)15-6-22(41-2)31(23(7-15)42-3)44-10-16-4-5-25(51-16)35(39)40/h4-9,14,19,24,26-30,32,34,36-37H,10-13H2,1-3H3/t14-,19+,24-,26-,27+,28-,29-,30-,32-,34+/m1/s1
SMILES: COC1=C(C(=C2[C@@H]([C@H]3COC(=O)[C@@]3(CC2=C1)O)C4=CC5=C(C=C4)OCO5)OC)OC
InChI: InChI=1S/C22H22O8/c1-25-16-7-12-8-22(24)13(9-28-21(22)23)17(18(12)20(27-3)19(16)26-2)11-4-5-14-15(6-11)30-10-29-14/h4-7,13,17,24H,8-10H2,1-3H3/t13-,17-,22+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)Cl)O
InChI: InChI=1S/C40H32Cl2N2O6/c1-2-50-33-19-22(11-18-32(33)45)35-28-16-17-29-34(38(48)43(36(29)46)26-14-12-24(41)13-15-26)30(28)21-31-37(47)44(27-10-6-9-25(42)20-27)39(49)40(31,35)23-7-4-3-5-8-23/h3-16,18-20,29-31,34-35,45H,2,17,21H2,1H3/t29-,30+,31-,34-,35-,40+/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]([C@H]([C@H]3[C@@H]([C@@]2(C[C@@H]1O)C(C)(C)O)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)O
InChI: InChI=1S/C30H44O13/c1-13-20(36)11-30(28(7,8)38)23(13)25(37)27(43-18(6)35)29(9)22(41-16(4)33)10-21(40-15(3)32)19(12-39-14(2)31)24(29)26(30)42-17(5)34/h19-22,24-27,36-38H,10-12H2,1-9H3/t19-,20+,21+,22+,24+,25-,26+,27+,29-,30+/m1/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H](COS(=O)(=O)C)[C@H]2C[C@@H]([C@@]([C@H]3[C@@H]2O3)(CO)O)OCC4=CC(=CC=C4)OC
InChI: InChI=1S/C26H34O10S/c1-31-19-9-7-17(8-10-19)13-33-22(15-35-37(3,29)30)21-12-23(26(28,16-27)25-24(21)36-25)34-14-18-5-4-6-20(11-18)32-2/h4-11,21-25,27-28H,12-16H2,1-3H3/t21-,22+,23+,24-,25-,26-/m1/s1
SMILES: CCOC(=O)[C@@H]1C[C@@]([C@H](C[C@]1(C2=COC=C2)O[Si](C)(C)C(C)(C)C)O)(C)O
InChI: InChI=1S/C20H34O6Si/c1-8-25-17(22)15-11-19(5,23)16(21)12-20(15,14-9-10-24-13-14)26-27(6,7)18(2,3)4/h9-10,13,15-16,21,23H,8,11-12H2,1-7H3/t15-,16-,19+,20+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](C(OC2=CC(=C3C=CC(=O)OC3=C12)OC)(C)C)OC(=O)C
InChI: InChI=1S/C19H20O8/c1-9(20)24-17-15-13(27-19(3,4)18(17)25-10(2)21)8-12(23-5)11-6-7-14(22)26-16(11)15/h6-8,17-18H,1-5H3/t17-,18-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN2C3=CC=CC=C3C(=O)C=N2
InChI: InChI=1S/C18H22N4O3/c1-12-6-2-4-8-14(12)20-18(25)21-17(24)11-22-15-9-5-3-7-13(15)16(23)10-19-22/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3,(H2,20,21,24,25)/t12-,14+/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@@H]3C6=CC=C(C=C6)C
InChI: InChI=1S/C29H23NO6/c1-3-35-19-14-12-18(13-15-19)30-27(33)22-23(28(30)34)29(36-24(22)17-10-8-16(2)9-11-17)25(31)20-6-4-5-7-21(20)26(29)32/h4-15,22-24H,3H2,1-2H3/t22-,23-,24+/m0/s1
SMILES: C[C@H]1[C@H]2CCCN2CCN1CC3=CC(=CC=C3)OC4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H25ClN2O/c1-16-21-6-3-11-23(21)12-13-24(16)15-17-4-2-5-20(14-17)25-19-9-7-18(22)8-10-19/h2,4-5,7-10,14,16,21H,3,6,11-13,15H2,1H3/t16-,21+/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]1N2C=NC3=C(N=CN=C32)N)O)O)CO
InChI: InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6+,8-,9-/m1/s1
SMILES: CC1=NC=C(N1C2=C(C3=C(C4=CC=CC=C42)C(=O)C([C@@H]5[C@H]3OCC5)(F)F)C(=O)C(F)F)[N+](=O)[O-]
InChI: InChI=1S/C22H15F4N3O5/c1-9-27-8-13(29(32)33)28(9)17-11-5-3-2-4-10(11)14-15(16(17)18(30)21(23)24)19-12(6-7-34-19)22(25,26)20(14)31/h2-5,8,12,19,21H,6-7H2,1H3/t12-,19+/m0/s1
SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C3=CC[C@H]([C@@H](C3)N)C4=CC(=C(C=C4F)F)F
InChI: InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/t10-,15+/m0/s1
SMILES: CC(C)([C@H]1OC[C@H]([C@H](O1)C2=CN=CC=C2)C/C=C\CCC(=O)OC)OC3=C(C=C(C=C3)SC)[N+](=O)[O-]
InChI: InChI=1S/C26H32N2O7S/c1-26(2,35-22-13-12-20(36-4)15-21(22)28(30)31)25-33-17-19(9-6-5-7-11-23(29)32-3)24(34-25)18-10-8-14-27-16-18/h5-6,8,10,12-16,19,24-25H,7,9,11,17H2,1-4H3/b6-5-/t19-,24-,25+/m1/s1
SMILES: CC(C)[C@@H]1CC[C@]([C@H]([C@@H]1C#N)CCC(=O)C)(C)OC(=O)C
InChI: InChI=1S/C17H27NO3/c1-11(2)14-8-9-17(5,21-13(4)20)16(15(14)10-18)7-6-12(3)19/h11,14-16H,6-9H2,1-5H3/t14-,15+,16-,17-/m0/s1