EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC(=O)N([C@@H]1CCN(C[C@@H]1C)CCC2=CC=C(C=C2)N=C=S)C3=CC=CC=C3
InChI: InChI=1S/C24H29N3OS/c1-3-24(28)27(22-7-5-4-6-8-22)23-14-16-26(17-19(23)2)15-13-20-9-11-21(12-10-20)25-18-29/h4-12,19,23H,3,13-17H2,1-2H3/t19-,23+/m0/s1
SMILES: CCN(CC)C1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)C4CC4
InChI: InChI=1S/C19H25N3O3S2/c1-3-21(4-2)14-7-9-15(10-8-14)22-16-11-27(24,25)12-17(16)26-19(22)20-18(23)13-5-6-13/h7-10,13,16-17H,3-6,11-12H2,1-2H3/t16-,17-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC(=C(C=C2)F)Br)/C#N
InChI: InChI=1S/C17H18BrFN2O/c1-11-4-2-3-5-16(11)21-17(22)13(10-20)8-12-6-7-15(19)14(18)9-12/h6-9,11,16H,2-5H2,1H3,(H,21,22)/b13-8+/t11-,16+/m0/s1
SMILES: C[C@H]1[C@@H](C[C@@H](C1(C)C)C(=O)[O-])C2=CC=CC=C2
InChI: InChI=1S/C15H20O2/c1-10-12(11-7-5-4-6-8-11)9-13(14(16)17)15(10,2)3/h4-8,10,12-13H,9H2,1-3H3,(H,16,17)/p-1/t10-,12+,13+/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(=NC5=O)N)O[P+](=O)[S-]
InChI: InChI=1S/C30H30N3O7PS/c1-36-23-12-8-21(9-13-23)30(20-6-4-3-5-7-20,22-10-14-24(37-2)15-11-22)38-19-26-25(40-41(35)42)18-28(39-26)33-17-16-27(31)32-29(33)34/h3-17,25-26,28H,18-19H2,1-2H3,(H2,31,32,34)/t25-,26+,28+/m0/s1
SMILES: C[C@H]1CC2[C@](CCC(=O)N2C)([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)[C@H](C)CCCC(C)C)C
InChI: InChI=1S/C28H49NO/c1-18(2)9-8-10-19(3)21-11-12-22-26-20(4)17-24-28(6,16-14-25(30)29(24)7)23(26)13-15-27(21,22)5/h18-24,26H,8-17H2,1-7H3/t19-,20+,21-,22+,23+,24?,26+,27-,28-/m1/s1
SMILES: CC1=C2CC[C@H]3[C@@H]([C@]2(CCC1)C)CC[C@]4([C@@H]3OCC4)C
InChI: InChI=1S/C19H30O/c1-13-5-4-9-19(3)15(13)7-6-14-16(19)8-10-18(2)11-12-20-17(14)18/h14,16-17H,4-12H2,1-3H3/t14-,16-,17+,18+,19-/m0/s1
SMILES: CCNC(=O)NC1=CC=CC(=C1)[C@@H]2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CSCCO
InChI: InChI=1S/C24H32N2O5S/c1-3-25-24(29)26-20-6-4-5-19(13-20)23-30-21(15-32-12-11-27)16(2)22(31-23)18-9-7-17(14-28)8-10-18/h4-10,13,16,21-23,27-28H,3,11-12,14-15H2,1-2H3,(H2,25,26,29)/t16-,21+,22+,23+/m0/s1
SMILES: CC[C@H]1CN(C(=O)C[C@@H]1CC(=O)OCC)CCC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3
InChI: InChI=1S/C27H35NO5/c1-4-22-18-28(26(29)16-23(22)17-27(30)32-5-2)14-13-20-11-12-24(31-3)25(15-20)33-19-21-9-7-6-8-10-21/h6-12,15,22-23H,4-5,13-14,16-19H2,1-3H3/t22-,23+/m0/s1
SMILES: CN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC7=CC=CC=C7C=C6)OCC=C)CCCCO)CCCCO)C(=O)OCCC=C
InChI: InChI=1S/C48H60N2O9/c1-4-6-27-55-47(53)50(3)43-32-41(49-59-44-19-11-14-28-54-44)39-30-35(17-9-12-24-51)38(18-10-13-25-52)45-40-31-37(57-36-21-20-33-15-7-8-16-34(33)29-36)22-23-42(40)58-48(43,46(39)45)56-26-5-2/h4-5,7-8,15-16,20-23,29-31,35,38,43-46,51-52H,1-2,6,9-14,17-19,24-28,32H2,3H3/t35-,38+,43-,44?,45+,46+,48+/m0/s1
SMILES: CCC=C=CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)CS(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H28O4S/c1-4-5-7-12-20(23)26-19-15-17-13-14-22(19,21(17,2)3)16-27(24,25)18-10-8-6-9-11-18/h5-6,8-12,17,19H,4,13-16H2,1-3H3/t7?,17-,19-,22-/m1/s1
SMILES: C1CCC2(CC1)[C@@H]3CCCC[C@@H]3OC(=O)[C@@H]2CCCCNC4=CC=CC=C4
InChI: InChI=1S/C24H35NO2/c26-23-21(14-7-10-18-25-19-11-3-1-4-12-19)24(16-8-2-9-17-24)20-13-5-6-15-22(20)27-23/h1,3-4,11-12,20-22,25H,2,5-10,13-18H2/t20-,21+,22+/m1/s1
SMILES: CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O[Si](C)(C)C(C)(C)C)COC(=O)C6=CC=CN6)C(=O)O3)O)C)\C)C
InChI: InChI=1S/C43H63NO9Si/c1-10-36-29(4)18-19-42(52-36)24-33-23-32(51-42)17-16-28(3)21-27(2)13-11-14-31-26-48-38-37(53-54(8,9)41(5,6)7)30(22-34(39(45)50-33)43(31,38)47)25-49-40(46)35-15-12-20-44-35/h11-16,20,22,27,29,32-34,36-38,44,47H,10,17-19,21,23-26H2,1-9H3/b13-11+,28-16+,31-14+/t27-,29-,32+,33-,34-,36+,37+,38+,42+,43+/m0/s1
SMILES: COC(=O)/C(=C/C=C\[C@H]1[C@](O1)(C2=CC=C(C=C2)Br)C(=O)OC)/C3=CC=C(C=C3)Br
InChI: InChI=1S/C22H18Br2O5/c1-27-20(25)18(14-6-10-16(23)11-7-14)4-3-5-19-22(29-19,21(26)28-2)15-8-12-17(24)13-9-15/h3-13,19H,1-2H3/b5-3-,18-4+/t19-,22+/m0/s1
SMILES: C[C@@]1(CCC(O1)C(C)(C)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O)C=C
InChI: InChI=1S/C21H36O11/c1-5-21(4)7-6-12(31-21)20(2,3)32-19-17(27)15(25)14(24)11(30-19)9-29-18-16(26)13(23)10(22)8-28-18/h5,10-19,22-27H,1,6-9H2,2-4H3/t10-,11-,12?,13+,14-,15+,16-,17+,18+,19+,21+/m1/s1
SMILES: C[N@+]1(CCC2=CC(=C(C(=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N@@+]4(CCC5=CC(=C(C(=C5[C@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C.[Cl-].[Cl-]
InChI: InChI=1S/C56H78N2O16.2ClH/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6;;/h29-34,39-40H,15-28H2,1-14H3;2*1H/q+2;;/p-2/t39-,40-,57-,58-;;/m1../s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=S)NC3=CC=C(C=C3)SC(F)F
InChI: InChI=1S/C15H18F2N2S2/c16-14(17)21-12-5-3-11(4-6-12)18-15(20)19-13-8-9-1-2-10(13)7-9/h3-6,9-10,13-14H,1-2,7-8H2,(H2,18,19,20)/t9-,10+,13-/m0/s1
SMILES: CC(C)(C)C1=CC2=C(C=C1)N[C@@]3([C@@]24CCCC[C@@H]4CCC3)C5=CC=CC=C5
InChI: InChI=1S/C26H33N/c1-24(2,3)21-14-15-23-22(18-21)25-16-8-7-10-19(25)13-9-17-26(25,27-23)20-11-5-4-6-12-20/h4-6,11-12,14-15,18-19,27H,7-10,13,16-17H2,1-3H3/t19-,25-,26-/m1/s1
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)[C@@H]4[C@H](N(O[C@@H]4C3=O)C5=CC=CC=C5C)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C29H27N3O7S/c1-3-38-29(35)22-19-9-5-7-11-21(19)40-28(22)30-26(33)23-24(17-12-14-18(15-13-17)32(36)37)31(39-25(23)27(30)34)20-10-6-4-8-16(20)2/h4,6,8,10,12-15,23-25H,3,5,7,9,11H2,1-2H3/t23-,24-,25+/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H]2CC([C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)(F)F)C
InChI: InChI=1S/C17H26F2O5/c1-5-20-13-9(2)12-8-16(18,19)10(3)11-6-7-15(4)22-14(21-13)17(11,12)24-23-15/h9-14H,5-8H2,1-4H3/t9-,10+,11+,12+,13+,14-,15-,17-/m1/s1
SMILES: C[C@H]1CC(=O)C2=C([C@@H]1O)C=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)OC
InChI: InChI=1S/C20H16O5/c1-9-8-13(21)15-11(18(9)22)6-7-12-17(15)20(24)10-4-3-5-14(25-2)16(10)19(12)23/h3-7,9,18,22H,8H2,1-2H3/t9-,18+/m0/s1
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H]3CN4CC[C@@H]3C[C@@H]4CN5C=C(N=N5)CN
InChI: InChI=1S/C23H33N7O2/c1-32-22-5-3-2-4-21(22)27-8-10-28(11-9-27)23(31)20-16-29-7-6-17(20)12-19(29)15-30-14-18(13-24)25-26-30/h2-5,14,17,19-20H,6-13,15-16,24H2,1H3/t17-,19-,20+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1S[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2OC(=O)C4=CC=CC=C4)N=[N+]=[N-])COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H32N4O12S/c1-12(32)29-20-22(40-15(4)35)21(39-14(3)34)17(10-37-13(2)33)42-27(20)44-24-18-11-38-26(41-18)19(30-31-28)23(24)43-25(36)16-8-6-5-7-9-16/h5-9,17-24,26-27H,10-11H2,1-4H3,(H,29,32)/t17-,18-,19-,20-,21-,22-,23-,24-,26-,27+/m1/s1
SMILES: CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C35H32O8S/c1-44-35-31(43-34(38)27-20-12-5-13-21-27)30(39-22-24-14-6-2-7-15-24)29(42-33(37)26-18-10-4-11-19-26)28(41-35)23-40-32(36)25-16-8-3-9-17-25/h2-21,28-31,35H,22-23H2,1H3/t28-,29+,30+,31-,35+/m1/s1
SMILES: CC1=NC(=CS1)CC(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C14H20N4OS2/c1-8-15-11(7-21-8)6-13(19)17-18-14(20)16-12-5-9-2-3-10(12)4-9/h7,9-10,12H,2-6H2,1H3,(H,17,19)(H2,16,18,20)/t9-,10+,12+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C([C@@H]3N2C4=C(C=C3)C=CC5=CC=CC=C54)(C#N)C#N)C6=CC=CS6
InChI: InChI=1S/C29H19N3OS/c30-17-29(18-31)24-15-14-20-13-12-19-7-4-5-10-22(19)26(20)32(24)27(25(29)23-11-6-16-34-23)28(33)21-8-2-1-3-9-21/h1-16,24-25,27H/t24-,25+,27-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3C(=C2)C
InChI: InChI=1S/C22H28N2O3S/c1-14-7-6-10-18(16(14)3)23-20(25)12-27-22(26)13-28-21-11-15(2)17-8-4-5-9-19(17)24-21/h4-5,8-9,11,14,16,18H,6-7,10,12-13H2,1-3H3,(H,23,25)/t14-,16-,18+/m0/s1
SMILES: COC(=O)[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)OCC(Cl)(Cl)Cl)O)SC2=CC=CC=C2
InChI: InChI=1S/C19H24Cl3NO9S/c1-30-16(28)18(33-10-5-3-2-4-6-10)7-11(25)13(15(32-18)14(27)12(26)8-24)23-17(29)31-9-19(20,21)22/h2-6,11-15,24-27H,7-9H2,1H3,(H,23,29)/t11-,12+,13+,14+,15+,18+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)O[C@H]2C=C3C4=CC=CC=C4C5=C3C(=CC=C5)[C@@H]2OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C30H20O4/c31-29(19-10-3-1-4-11-19)33-26-18-25-22-15-8-7-14-21(22)23-16-9-17-24(27(23)25)28(26)34-30(32)20-12-5-2-6-13-20/h1-18,26,28H/t26-,28-/m0/s1
SMILES: C1[C@@H]2[C@H](C[C@H]([C@H]1Br)Br)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O
InChI: InChI=1S/C15H13Br2NO4/c16-11-5-9-10(6-12(11)17)14(20)18(13(9)19)8-3-1-7(2-4-8)15(21)22/h1-4,9-12H,5-6H2,(H,21,22)/t9-,10+,11+,12-
SMILES: CCOC1=CC=CC=C1/C=C/C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C
InChI: InChI=1S/C20H27NO4/c1-3-24-18-11-7-5-9-16(18)12-13-20(23)25-14-19(22)21-17-10-6-4-8-15(17)2/h5,7,9,11-13,15,17H,3-4,6,8,10,14H2,1-2H3,(H,21,22)/b13-12+/t15-,17-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C)C(=O)N4CC[C@H](C4)N)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C20H30N4O5S/c1-9-15-14(10(2)25)19(27)24(15)16(20(28)29)17(9)30-12-6-13(22(3)8-12)18(26)23-5-4-11(21)7-23/h9-15,25H,4-8,21H2,1-3H3,(H,28,29)/t9-,10-,11-,12+,13+,14-,15-/m1/s1
SMILES: C[C@](CC[C@@H](C(C)(C)O)O)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C16H30O8/c1-5-16(4,7-6-10(18)15(2,3)22)24-14-13(21)12(20)11(19)9(8-17)23-14/h5,9-14,17-22H,1,6-8H2,2-4H3/t9-,10+,11-,12+,13-,14+,16-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2CN(C(=O)N2C3=CC=CC=C3[N+](=O)[O-])[C@H](C)C4=CC=CC=C4)C(C)C
InChI: InChI=1S/C28H35N3O5/c1-18(2)22-15-14-19(3)16-26(22)36-27(32)25-17-29(20(4)21-10-6-5-7-11-21)28(33)30(25)23-12-8-9-13-24(23)31(34)35/h5-13,18-20,22,25-26H,14-17H2,1-4H3/t19-,20-,22+,25-,26-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@](C4=CC(=O)CC[C@]34C)(C5=CC=CC=C5)O
InChI: InChI=1S/C25H30O3/c1-23-12-10-17(26)14-21(23)25(28,16-6-4-3-5-7-16)15-18-19-8-9-22(27)24(19,2)13-11-20(18)23/h3-7,14,18-20,28H,8-13,15H2,1-2H3/t18-,19-,20-,23+,24-,25-/m0/s1
SMILES: C[C@@H]1C[C@H]1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C
InChI: InChI=1S/C14H16N2O5/c1-8-6-11(8)14(18)21-7-13(17)15-12-4-3-10(16(19)20)5-9(12)2/h3-5,8,11H,6-7H2,1-2H3,(H,15,17)/t8-,11-/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CCl)O)C)C
InChI: InChI=1S/C22H27ClO3/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18+,20+,21+,22+/m1/s1
SMILES: CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCC[C@H]1C(=O)O
InChI: InChI=1S/C21H34N4O8S/c1-10(2)7-13(17(22)28)23-19(30)14(8-16(26)27)24-20(31)15(9-34)25-18(29)11-5-3-4-6-12(11)21(32)33/h10-15,34H,3-9H2,1-2H3,(H2,22,28)(H,23,30)(H,24,31)(H,25,29)(H,26,27)(H,32,33)/t11-,12-,13+,14+,15+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCNC(=O)N)[C@@]4(C2=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=NC1=CC=CC=C1S9
InChI: InChI=1S/C55H47N7O8S/c1-33(35-17-5-2-6-18-35)58-54(68)61-41-28-27-34(16-15-29-57-52(56)67)32-39(41)55(51(61)66)44(49(64)60-53-59-40-24-12-14-26-43(40)71-53)46-50(65)70-47(37-21-9-4-10-22-37)45(36-19-7-3-8-20-36)62(46)48(55)38-23-11-13-25-42(38)69-31-30-63/h2-14,17-28,32-33,44-48,63H,29-31H2,1H3,(H,58,68)(H3,56,57,67)(H,59,60,64)/t33-,44-,45-,46-,47+,48+,55-/m1/s1
SMILES: C[C@H]1CCC[C@]2([C@]13[C@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@H]4CN[C@@H](C)C5=CC=CC=C5)C
InChI: InChI=1S/C23H31NO3/c1-14-8-7-11-22(3)12-18-19(20-23(14,22)27-20)17(21(25)26-18)13-24-15(2)16-9-5-4-6-10-16/h4-6,9-10,14-15,17-20,24H,7-8,11-13H2,1-3H3/t14-,15-,17-,18+,19+,20+,22+,23+/m0/s1
SMILES: COCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CC[C@H]([C@H](C2)OC)NC(=O)C3=CC(=C(C=C3OC)N)Cl
InChI: InChI=1S/C26H33ClN4O7/c1-35-10-11-38-26(34)16-4-6-17(7-5-16)29-24(32)15-31-9-8-21(23(14-31)37-3)30-25(33)18-12-19(27)20(28)13-22(18)36-2/h4-7,12-13,21,23H,8-11,14-15,28H2,1-3H3,(H,29,32)(H,30,33)/t21-,23+/m1/s1
SMILES: C[C@@H]1C[C@]2([C@H](C(=O)N2C3=CC=CC=C3S1)C4=CC=CC=C4)C5=CC=C(C=C5)C
InChI: InChI=1S/C25H23NOS/c1-17-12-14-20(15-13-17)25-16-18(2)28-22-11-7-6-10-21(22)26(25)24(27)23(25)19-8-4-3-5-9-19/h3-15,18,23H,16H2,1-2H3/t18-,23+,25-/m1/s1
SMILES: CC1=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)[N+](=O)[O-]
InChI: InChI=1S/C27H18N2O7/c1-14-6-10-16(11-7-14)28-25(32)20-21(26(28)33)27(23(30)18-4-2-3-5-19(18)24(27)31)36-22(20)15-8-12-17(13-9-15)29(34)35/h2-13,20-22H,1H3/t20-,21+,22+/m0/s1
SMILES: C[NH+]1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
InChI: InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/p+1/t12-,13+,19-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]2[C@@H](C(C=C2C(=O)[C@H](C13CC3)C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H38O4Si/c1-10-26-20(25)17-16-15(18(24)14(2)23(17)11-12-23)13-22(6,7)19(16)27-28(8,9)21(3,4)5/h13-14,16-17,19H,10-12H2,1-9H3/t14-,16+,17+,19+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)OCCO)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)CC8=CC=CS8
InChI: InChI=1S/C39H33ClFN3O6S/c40-24-7-5-23(6-8-24)39-32(36(47)44(38(39)49)42-26-11-9-25(41)10-12-26)20-31-29(34(39)22-3-13-27(14-4-22)50-18-17-45)15-16-30-33(31)37(48)43(35(30)46)21-28-2-1-19-51-28/h1-15,19,30-34,42,45H,16-18,20-21H2/t30-,31+,32-,33-,34-,39+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)SC(=O)C)SC(=O)C
InChI: InChI=1S/C12H17NO5S2/c1-5(14)13-9-11(20-7(3)16)10(19-6(2)15)8-4-17-12(9)18-8/h8-12H,4H2,1-3H3,(H,13,14)/t8-,9-,10-,11-,12-/m1/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O.O
InChI: InChI=1S/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1
SMILES: C[N+]1=CC=C(C=C1)SCC2=C(N3[C@H](CO2)[C@@H](C3=O)NC(=O)/C(=N\OC4CCCC4)/C5=CSC(=N5)N)C(=O)O.OS(=O)(=O)[O-]
InChI: InChI=1S/C24H26N6O6S2.H2O4S/c1-29-8-6-14(7-9-29)37-12-17-20(23(33)34)30-16(10-35-17)19(22(30)32)27-21(31)18(15-11-38-24(25)26-15)28-36-13-4-2-3-5-13;1-5(2,3)4/h6-9,11,13,16,19H,2-5,10,12H2,1H3,(H3-,25,26,27,31,33,34);(H2,1,2,3,4)/b28-18-;/t16-,19+;/m1./s1
SMILES: CC1(OC[C@@]23CCCC[C@]2(O1)C[C@@H](C[C@H]3[Si](C)(C)C4=CC=CC=C4)O)C
InChI: InChI=1S/C22H34O3Si/c1-20(2)24-16-21-12-8-9-13-22(21,25-20)15-17(23)14-19(21)26(3,4)18-10-6-5-7-11-18/h5-7,10-11,17,19,23H,8-9,12-16H2,1-4H3/t17-,19-,21-,22+/m1/s1
SMILES: CC(=O)C[C@@H]1[C@@H]2N(C1=O)C(=C(S2)CCl)C(=O)OCOC(=O)C(C)(C)C
InChI: InChI=1S/C16H20ClNO6S/c1-8(19)5-9-12(20)18-11(10(6-17)25-13(9)18)14(21)23-7-24-15(22)16(2,3)4/h9,13H,5-7H2,1-4H3/t9-,13+/m0/s1
SMILES: CC(C)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(C)C)N2C=CC(=O)NC2=O)COS(=O)(=O)NC(=O)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/C30H43N3O19S/c1-13(2)45-23-20(50-27(25(23)46-14(3)4)33-10-9-21(38)31-29(33)39)12-44-53(41,42)32-30(40)52-28-26(49-18(8)37)24(48-17(7)36)22(47-16(6)35)19(51-28)11-43-15(5)34/h9-10,13-14,19-20,22-28H,11-12H2,1-8H3,(H,32,40)(H,31,38,39)/t19-,20-,22-,23-,24+,25-,26+,27-,28-/m1/s1
SMILES: CC[Si](CC)(CC)OC(C)(C)C#CCO[C@@H](C)C1=CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C45H80O4Si3/c1-19-52(20-2,21-3)49-43(11,12)28-22-30-46-33(4)37-25-26-38-36-24-23-34-31-35(47-50(15,16)41(5,6)7)32-40(48-51(17,18)42(8,9)10)45(34,14)39(36)27-29-44(37,38)13/h23-25,33,35,38-40H,19-21,26-27,29-32H2,1-18H3/t33-,35+,38-,39-,40-,44+,45-/m0/s1
SMILES: COC(=O)[C@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)NC(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C39H43NO10/c1-44-37(42)32(40-39(43)49-25-31-20-12-5-13-21-31)26-48-38-34(41)36(47-24-30-18-10-4-11-19-30)35(46-23-29-16-8-3-9-17-29)33(50-38)27-45-22-28-14-6-2-7-15-28/h2-21,32-36,38,41H,22-27H2,1H3,(H,40,43)/t32-,33+,34-,35+,36+,38-/m0/s1
SMILES: CC(=CC[C@@H](/C(=C/C=C/C(=C/1\[C@H](C[C@@H]2[C@@]1(CC[C@@H]3[C@@]2(CC[C@H]([C@]3(C)CO)O)C)C)O)/C)/C)O)C
InChI: InChI=1S/C30H48O4/c1-19(2)11-12-22(32)20(3)9-8-10-21(4)27-23(33)17-25-28(5)16-14-26(34)30(7,18-31)24(28)13-15-29(25,27)6/h8-11,22-26,31-34H,12-18H2,1-7H3/b10-8+,20-9+,27-21+/t22-,23-,24+,25-,26+,28-,29-,30+/m0/s1
SMILES: C1CCN(CC1)C(=O)CN2CC[C@]3(CCCC[C@H]3[C@H]2C4=CC5=C(C=C4)OCO5)O
InChI: InChI=1S/C23H32N2O4/c26-21(24-11-4-1-5-12-24)15-25-13-10-23(27)9-3-2-6-18(23)22(25)17-7-8-19-20(14-17)29-16-28-19/h7-8,14,18,22,27H,1-6,9-13,15-16H2/t18-,22+,23-/m0/s1
SMILES: CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC5CCCCO5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(C)S(=O)(=O)C7=CC=C(C=C7)NC(=O)C)OCC=C)C
InChI: InChI=1S/C49H63N3O10S/c1-6-26-59-49-45(52(5)63(56,57)39-21-17-36(18-22-39)50-34(4)55)31-43(51-62-46-15-9-12-27-58-46)41-29-35(13-7-10-24-53)40(14-8-11-25-54)47(48(41)49)42-30-38(20-23-44(42)61-49)60-37-19-16-32(2)33(3)28-37/h6,16-23,28-30,35,40,45-48,53-54H,1,7-15,24-27,31H2,2-5H3,(H,50,55)/t35-,40+,45-,46?,47+,48+,49+/m0/s1
SMILES: C[C@H]1[C@H](OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C(C=C(C5=C(C6=C(C=C54)OC(C(C6=O)C)C)O)O)O)O)C
InChI: InChI=1S/C30H26O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-12,31-34,37-38H,1-4H3/t9-,10?,11+,12?/m0/s1
SMILES: CCOP(=O)(OCC)OC1=C2CCCCC2C[C@@H]([C@@H]1SC(=O)C)C(=O)C
InChI: InChI=1S/C18H29O6PS/c1-5-22-25(21,23-6-2)24-17-15-10-8-7-9-14(15)11-16(12(3)19)18(17)26-13(4)20/h14,16,18H,5-11H2,1-4H3/t14?,16-,18+/m1/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)C4=CC=CC=C4)CN5CCC6(CC5)OCCO6
InChI: InChI=1S/C33H38N2O6/c1-23-29(21-35-16-14-33(15-17-35)38-18-19-39-33)40-32(41-30(23)25-12-10-24(22-36)11-13-25)27-8-5-9-28(20-27)34-31(37)26-6-3-2-4-7-26/h2-13,20,23,29-30,32,36H,14-19,21-22H2,1H3,(H,34,37)/t23-,29+,30+,32+/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=C(C4=O)C(=CC=C5)OC)O)(C(C)(C)O)O)NC(=O)C(F)(F)F)O
InChI: InChI=1S/C30H32F3NO11/c1-11-22(35)14(34-27(40)30(31,32)33)8-17(44-11)45-16-10-29(42,28(2,3)41)9-13-19(16)26(39)21-20(24(13)37)23(36)12-6-5-7-15(43-4)18(12)25(21)38/h5-7,11,14,16-17,22,35,37,39,41-42H,8-10H2,1-4H3,(H,34,40)/t11-,14-,16-,17-,22+,29-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3
InChI: InChI=1S/C18H25N5OS/c1-12-5-4-6-15(13(12)2)20-16(24)11-25-18-22-21-17(23(18)3)14-7-9-19-10-8-14/h7-10,12-13,15H,4-6,11H2,1-3H3,(H,20,24)/t12-,13-,15+/m1/s1
SMILES: C[C@@H]1CCC2[C@H]([C@H](O[C@H]3[C@@]24C1CC[C@@](O3)(OO4)C)O[C@@H](C5=CC=CC6=CC=CC=C65)C(=O)O)C
InChI: InChI=1S/C27H32O7/c1-15-11-12-21-16(2)24(31-25-27(21)20(15)13-14-26(3,32-25)33-34-27)30-22(23(28)29)19-10-6-8-17-7-4-5-9-18(17)19/h4-10,15-16,20-22,24-25H,11-14H2,1-3H3,(H,28,29)/t15-,16-,20?,21?,22+,24+,25-,26+,27-/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CC1=COC=C1)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C32H45IN2O6/c1-2-3-4-5-6-7-8-9-10-15-30(37)35(22-24-16-19-40-23-24)27-20-25(32(39)34-17-18-36)21-29(31(27)38)41-28-14-12-11-13-26(28)33/h11-14,16,19,21,23,27,29,31,36,38H,2-10,15,17-18,20,22H2,1H3,(H,34,39)/t27-,29+,31+/m1/s1
SMILES: CCS[C@@]1([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)O)COCC4=CC=CC=C4
InChI: InChI=1S/C29H34O5S/c1-2-35-29(22-32-19-24-14-8-4-9-15-24)28(30)27(33-20-25-16-10-5-11-17-25)26(34-29)21-31-18-23-12-6-3-7-13-23/h3-17,26-28,30H,2,18-22H2,1H3/t26-,27-,28+,29-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC34CC5CC(C3)CC(C5)C4)C(=O)NC(C)C)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=CC=C7)C
InChI: InChI=1S/C44H60N2O4/c1-29(2)45-41(49)46(27-43-24-32-19-33(25-43)21-34(20-32)26-43)28-44(50)18-16-39-37-15-13-31(23-38(37)40(48)35-10-6-5-7-11-35)22-36(47)14-12-30(3)9-8-17-42(39,44)4/h5-7,9-11,13,15,23,29,32-34,36,39,47,50H,8,12,14,16-22,24-28H2,1-4H3,(H,45,49)/t32?,33?,34?,36-,39-,42-,43?,44+/m0/s1
SMILES: C[C@H]1[C@H](OCC[NH+]1[C@@H]2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5=CC=CC=C5
InChI: InChI=1S/C25H24ClNOS/c1-17-25(18-7-3-2-4-8-18)28-14-13-27(17)22-15-19-9-5-6-10-23(19)29-24-12-11-20(26)16-21(22)24/h2-12,16-17,22,25H,13-15H2,1H3/p+1/t17-,22+,25-/m0/s1
SMILES: C[C@H]1[C@H]2[C@@H](N(C(=O)[C@@]23[C@@H](/C=C/CC(C(=O)[C@@](/C=C/[C@@H]3OC(=O)C)(C)O[Si](C)(C)C(C)(C)C)C)[C@@H](C1=C)O[Si](C)(C)C(C)(C)C)C(=O)C4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C49H69NO7Si2/c1-32-23-22-28-38-42(56-58(12,13)46(5,6)7)34(3)33(2)41-39(31-36-24-18-16-19-25-36)50(44(53)37-26-20-17-21-27-37)45(54)49(38,41)40(55-35(4)51)29-30-48(11,43(32)52)57-59(14,15)47(8,9)10/h16-22,24-30,32-33,38-42H,3,23,31H2,1-2,4-15H3/b28-22+,30-29+/t32?,33-,38+,39+,40+,41+,42-,48+,49-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)C(=O)N
InChI: InChI=1S/C18H20N2O5/c19-16(22)11-5-7-12(8-6-11)25-15(21)9-10-20-17(23)13-3-1-2-4-14(13)18(20)24/h5-8,13-14H,1-4,9-10H2,(H2,19,22)/t13-,14-/m0/s1
SMILES: CCCCP1OC([C@H]2[C@H](C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)OC(O2)(C)C)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C35H37O4P/c1-4-5-26-40-38-34(27-18-10-6-11-19-27,28-20-12-7-13-21-28)31-32(37-33(2,3)36-31)35(39-40,29-22-14-8-15-23-29)30-24-16-9-17-25-30/h6-25,31-32H,4-5,26H2,1-3H3/t31-,32-/m1/s1
SMILES: COC1=CC(=CC2=C1N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC=CC=C4Cl)[N+](=O)[O-]
InChI: InChI=1S/C19H17ClN2O3/c1-25-17-10-11(22(23)24)9-15-12-6-4-7-13(12)18(21-19(15)17)14-5-2-3-8-16(14)20/h2-6,8-10,12-13,18,21H,7H2,1H3/t12-,13+,18-/m1/s1
SMILES: C[Si](C)(C)OC([C@@H]1[C@H](C(=O)N(C1=O)C2=CC=CC=C2)C(C3=CC=CS3)O[Si](C)(C)C)C4=CC=CS4
InChI: InChI=1S/C26H33NO4S2Si2/c1-34(2,3)30-23(19-14-10-16-32-19)21-22(24(31-35(4,5)6)20-15-11-17-33-20)26(29)27(25(21)28)18-12-8-7-9-13-18/h7-17,21-24H,1-6H3/t21-,22-,23?,24?/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OCCCCC=C)CO)O)N)O)O)O
InChI: InChI=1S/C18H33NO9/c1-3-4-5-6-7-25-18-16(11(19)13(22)10(8-20)27-18)28-17-15(24)14(23)12(21)9(2)26-17/h3,9-18,20-24H,1,4-8,19H2,2H3/t9-,10+,11-,12+,13-,14+,15-,16+,17-,18+/m0/s1
SMILES: CCCCCCCCCCCCCCO[C@]1([C@H](O[C@]2([C@@H]([C@H]([C@@]1(O2)C(=O)O)O)O)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)C(=O)O)C(=O)O
InChI: InChI=1S/C39H58O13/c1-5-6-7-8-9-10-11-12-13-14-15-19-24-49-39(36(47)48)33(34(43)44)51-37(31(41)32(42)38(39,52-37)35(45)46)23-22-26(2)30(50-28(4)40)27(3)25-29-20-17-16-18-21-29/h16-18,20-21,27,30-33,41-42H,2,5-15,19,22-25H2,1,3-4H3,(H,43,44)(H,45,46)(H,47,48)/t27?,30?,31-,32-,33-,37-,38-,39-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CO)C2C(=O)C(C(=O)O2)O)O)O)O)O
InChI: InChI=1S/C12H18O11/c13-1-3-5(15)6(16)9(19)12(21-3)22-4(2-14)10-7(17)8(18)11(20)23-10/h3-6,8-10,12-16,18-19H,1-2H2/t3-,4+,5-,6+,8?,9-,10?,12-/m1/s1
SMILES: CC(C)(C)[Si]1(OC[C@@H]2[C@@H](O1)[C@H]3[C@@H]([C@H](O2)O)N(C(=O)O3)C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C21H31NO6Si/c1-20(2,3)29(21(4,5)6)25-12-14-16(28-29)17-15(18(23)26-14)22(19(24)27-17)13-10-8-7-9-11-13/h7-11,14-18,23H,12H2,1-6H3/t14-,15+,16-,17-,18+/m1/s1
SMILES: C[C@@H]\1[C@H](N[C@@H](C/C1=N\O)C2=CC=CO2)C3=CC=CO3
InChI: InChI=1S/C14H16N2O3/c1-9-10(16-17)8-11(12-4-2-6-18-12)15-14(9)13-5-3-7-19-13/h2-7,9,11,14-15,17H,8H2,1H3/b16-10+/t9-,11-,14-/m0/s1
SMILES: CC(=O)OC[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)N2C(=O)C(=C(NC2=S)C3=CC=CC=C3)C#N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H25N3O10S/c1-12(29)34-11-18-20(35-13(2)30)21(36-14(3)31)22(37-15(4)32)24(38-18)28-23(33)17(10-26)19(27-25(28)39)16-8-6-5-7-9-16/h5-9,18,20-22,24H,11H2,1-4H3,(H,27,39)/t18-,20-,21-,22-,24-/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)CNC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)CSC5=CC=C(C=C5)NC(=O)C
InChI: InChI=1S/C35H38F3N3O6S/c1-21-30(20-48-28-15-13-27(14-16-28)40-22(2)43)46-33(47-31(21)25-9-7-24(19-42)8-10-25)26-11-5-23(6-12-26)18-39-32(44)29-4-3-17-41(29)34(45)35(36,37)38/h5-16,21,29-31,33,42H,3-4,17-20H2,1-2H3,(H,39,44)(H,40,43)/t21-,29+,30+,31+,33+/m1/s1
SMILES: C1CN(CCN1C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)[C@H]5CC=CC[C@H]5C(=O)[O-]
InChI: InChI=1S/C26H26N4O3/c31-24(19-10-4-5-11-20(19)25(32)33)29-14-16-30(17-15-29)26-27-22-13-7-6-12-21(22)23(28-26)18-8-2-1-3-9-18/h1-9,12-13,19-20H,10-11,14-17H2,(H,32,33)/p-1/t19-,20+/m0/s1
SMILES: CC[C@@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=C(C=C3)F)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C17H19FN2O4/c1-4-17(16(23)24-3)12-11(14(21)20(2)15(12)22)13(19-17)9-5-7-10(18)8-6-9/h5-8,11-13,19H,4H2,1-3H3/t11-,12+,13-,17+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C(=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)CO)C
InChI: InChI=1S/C42H41N5O8/c1-41(2)54-35-32(23-48)53-40(36(35)55-41)47-33(45-34-37(43-25-44-38(34)47)46-39(49)26-11-7-5-8-12-26)24-52-42(27-13-9-6-10-14-27,28-15-19-30(50-3)20-16-28)29-17-21-31(51-4)22-18-29/h5-22,25,32,35-36,40,48H,23-24H2,1-4H3,(H,43,44,46,49)/t32-,35-,36-,40-/m1/s1