EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCCCCCCCCCCCCC(=O)OC(CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)COC(=O)CCCCCCC/C=C/CCCCCCCC
InChI: InChI=1S/C43H80O12S/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(44)52-33-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)54-39(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,36-37,40-43,46-48H,3-16,19-35H2,1-2H3,(H,49,50,51)/b18-17+/t36?,37-,40-,41+,42-,43+/m1/s1
SMILES: C1[C@@H]([C@H]([C@H]2C(N1CCCCCCC3=CC=C(C=C3)Cl)COC(O2)C4=CC=CC=C4)O)O
InChI: InChI=1S/C25H32ClNO4/c26-20-13-11-18(12-14-20)8-4-1-2-7-15-27-16-22(28)23(29)24-21(27)17-30-25(31-24)19-9-5-3-6-10-19/h3,5-6,9-14,21-25,28-29H,1-2,4,7-8,15-17H2/t21?,22-,23+,24+,25?/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](C#C[Si](C)(C)C)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H51NO3Si3/c1-18(20(27)16-17-30(9,10)11)22-21(19(2)29-32(14,15)25(6,7)8)23(28)26(22)31(12,13)24(3,4)5/h18-22,27H,1-15H3/t18-,19-,20+,21-,22-/m1/s1
SMILES: CCC1=CC=C(C=C1)CO[C@H]2C[C@@H](O[C@@H]2CO)N3C=C(C(=O)NC3=O)F
InChI: InChI=1S/C18H21FN2O5/c1-2-11-3-5-12(6-4-11)10-25-14-7-16(26-15(14)9-22)21-8-13(19)17(23)20-18(21)24/h3-6,8,14-16,22H,2,7,9-10H2,1H3,(H,20,23,24)/t14-,15+,16+/m0/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@H]3[C@@H]2C=C[C@@H]3CCOC(=O)C4=CC=CC=C4
InChI: InChI=1S/C19H20O2/c20-19(14-4-2-1-3-5-14)21-11-10-13-8-9-17-15-6-7-16(12-15)18(13)17/h1-9,13,15-18H,10-12H2/t13-,15-,16+,17-,18+/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H](C[C@@H](O2)N3C=NC4=CN=C(N=C43)N)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C22H39N5O4Si2/c1-13(2)32(14(3)4)28-11-19-18(30-33(31-32,15(5)6)16(7)8)9-20(29-19)27-12-25-17-10-24-22(23)26-21(17)27/h10,12-16,18-20H,9,11H2,1-8H3,(H2,23,24,26)/t18-,19+,20+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=CC=C2OC)C3=CSC=C3
InChI: InChI=1S/C20H20O4S/c1-3-24-20(22)19-16(13-8-9-25-12-13)10-14(11-17(19)21)15-6-4-5-7-18(15)23-2/h4-9,11-12,16,19H,3,10H2,1-2H3/t16-,19+/m1/s1
SMILES: CC1([C@H]([C@@H]1C(=O)NC2=CC=CC=C2[N+](=O)[O-])C=C(Cl)Cl)C
InChI: InChI=1S/C14H14Cl2N2O3/c1-14(2)8(7-11(15)16)12(14)13(19)17-9-5-3-4-6-10(9)18(20)21/h3-8,12H,1-2H3,(H,17,19)/t8-,12+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](N(C(=O)C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3F
InChI: InChI=1S/C19H15FN2O6/c1-2-28-19(25)15-16(13-5-3-4-6-14(13)20)21(18(24)17(15)23)11-7-9-12(10-8-11)22(26)27/h3-10,15-16H,2H2,1H3/t15-,16-/m1/s1
SMILES: C[C@H]1C=C[C@@H]2[C@H]([C@@H]1NS(=O)(=O)C3=CC=C(C=C3)C)OC(O2)(C)C
InChI: InChI=1S/C17H23NO4S/c1-11-5-8-13(9-6-11)23(19,20)18-15-12(2)7-10-14-16(15)22-17(3,4)21-14/h5-10,12,14-16,18H,1-4H3/t12-,14+,15+,16+/m0/s1
SMILES: CC[C@H]1CC[C@@]2(C[C@@H]([C@H](CO2)COCC3=CC=CC=C3)O)OC1
InChI: InChI=1S/C19H28O4/c1-2-15-8-9-19(22-12-15)10-18(20)17(14-23-19)13-21-11-16-6-4-3-5-7-16/h3-7,15,17-18,20H,2,8-14H2,1H3/t15-,17-,18-,19+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(CC[C@@H]4/C=N/N=C(N)N)O)C)O
InChI: InChI=1S/C21H36N4O2/c1-19-8-6-15(26)11-13(19)3-4-17-16(19)7-9-20(2)14(5-10-21(17,20)27)12-24-25-18(22)23/h12-17,26-27H,3-11H2,1-2H3,(H4,22,23,25)/b24-12+/t13-,14-,15+,16?,17?,19+,20-,21+/m1/s1
SMILES: C/C=C/CCCCC[C@@H]1C=C2[C@]3(CC4=C([C@@H]5[C@H]1C[C@@H](O[C@@]52OC3=O)C(=O)CC/C=C/C)C(=O)OC4=O)CC(=O)N6CCC7=CC=CC=C76
InChI: InChI=1S/C39H43NO8/c1-3-5-7-8-9-11-15-25-20-31-38(23-32(42)40-19-18-24-14-12-13-16-28(24)40)22-27-33(36(44)46-35(27)43)34-26(25)21-30(29(41)17-10-6-4-2)47-39(31,34)48-37(38)45/h3-6,12-14,16,20,25-26,30,34H,7-11,15,17-19,21-23H2,1-2H3/b5-3+,6-4+/t25-,26+,30-,34+,38+,39+/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=NOC(=C3)C4=CC=CC=C4
InChI: InChI=1S/C19H21N3O3/c1-13-7-5-6-10-19(13)17(23)22(18(24)20-19)12-15-11-16(25-21-15)14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12H2,1H3,(H,20,24)/t13-,19-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=CN=C2)Br
InChI: InChI=1S/C16H21BrN2O3/c1-10-5-3-4-6-14(10)19-15(20)11(2)22-16(21)12-7-13(17)9-18-8-12/h7-11,14H,3-6H2,1-2H3,(H,19,20)/t10-,11-,14+/m1/s1
SMILES: CN(C)P(=O)(N(C)C)O[C@@H]1[C@@H]([C@H](O[C@@H]1OC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C30H33N2O9P/c1-31(2)42(36,32(3)4)41-26-25(39-28(34)22-16-10-6-11-17-22)24(20-37-27(33)21-14-8-5-9-15-21)38-30(26)40-29(35)23-18-12-7-13-19-23/h5-19,24-26,30H,20H2,1-4H3/t24-,25-,26-,30-/m1/s1
SMILES: CC(=C)[C@@H]1C[C@@H]2[C@@](O2)(C(=O)C1(CCC(=O)C)C=O)C
InChI: InChI=1S/C15H20O4/c1-9(2)11-7-12-14(4,19-12)13(18)15(11,8-16)6-5-10(3)17/h8,11-12H,1,5-7H2,2-4H3/t11-,12+,14+,15?/m0/s1
SMILES: [2H]C([2H])([2H])C([2H])(CC(C([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)OC(=O)C)OC(=O)C)C)C)OC(=O)C)OC(=O)C)C([2H])([2H])[2H]
InChI: InChI=1S/C35H54O10/c1-18(2)14-30(43-21(5)37)32(45-23(7)39)19(3)25-10-11-26-24-17-41-33(40)28-15-29(42-20(4)36)31(44-22(6)38)16-35(28,9)27(24)12-13-34(25,26)8/h18-19,24-32H,10-17H2,1-9H3/t19-,24-,25+,26-,27-,28+,29-,30?,31+,32?,34+,35+/m0/s1/i1D3,2D3,18D
SMILES: C1CC[C@H]2[C@@H](C1)[C@]3([C@@H](N2O)CCC4=[N+](ON=C43)[O-])O
InChI: InChI=1S/C12H17N3O4/c16-12-7-3-1-2-4-8(7)14(17)10(12)6-5-9-11(12)13-19-15(9)18/h7-8,10,16-17H,1-6H2/t7-,8+,10+,12-/m1/s1
SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H](C([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O
InChI: InChI=1S/C30H38N2O13S/c1-32(2)19-7-3-6-18-17(19)5-4-8-22(18)46(40,41)31-15-9-11-16(12-10-15)42-29-27(39)25(37)28(21(14-34)44-29)45-30-26(38)24(36)23(35)20(13-33)43-30/h3-12,20-21,23-31,33-39H,13-14H2,1-2H3/t20-,21-,23+,24+,25-,26-,27-,28?,29-,30+/m1/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C
InChI: InChI=1S/C18H21N3O3/c1-11-9-15(11)18(23)24-10-16(22)19-17-12(2)20-21(13(17)3)14-7-5-4-6-8-14/h4-8,11,15H,9-10H2,1-3H3,(H,19,22)/t11-,15+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC2CCC3(C(C2)CCC4C3CCC5(C4CC6C5C(C7(O6)CCC(CO7)C)C)C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C44H72O16/c1-19-8-13-44(54-17-19)20(2)30-27(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(35(50)31(46)21(3)55-41)59-39-36(51)33(48)29(18-53-39)58-40-37(52)34(49)32(47)28(16-45)57-40/h19-41,45-52H,6-18H2,1-5H3/t19?,20?,21-,22?,23?,24?,25?,26?,27?,28+,29-,30?,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,42?,43?,44?/m0/s1
SMILES: CCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=NC#N)CCCC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3
InChI: InChI=1S/C28H38N4O2/c1-3-5-17-31-24(19-22-13-9-7-10-14-22)26(33)27(34)25(20-23-15-11-8-12-16-23)32(18-6-4-2)28(31)30-21-29/h7-16,24-27,33-34H,3-6,17-20H2,1-2H3/t24-,25-,26+,27+/m1/s1
SMILES: C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)OC(=O)CN4CCCC4)O)(C)C)O)C)O)C=C
InChI: InChI=1S/C26H41NO7/c1-7-23(4)14-17(29)26(32)24(5)16(28)10-11-22(2,3)20(24)19(31)21(25(26,6)34-23)33-18(30)15-27-12-8-9-13-27/h7,16,19-21,28,31-32H,1,8-15H2,2-6H3/t16-,19-,20-,21-,23-,24-,25+,26-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=CC(=O)NCC[C@]35C
InChI: InChI=1S/C33H46Cl2N2O3/c1-32-16-19-36-30(38)22-24(32)8-11-26-27-12-13-29(33(27,2)15-14-28(26)32)40-31(39)5-3-4-23-6-9-25(10-7-23)37(20-17-34)21-18-35/h6-7,9-10,22,26-29H,3-5,8,11-21H2,1-2H3,(H,36,38)/t26-,27-,28-,29-,32-,33-/m0/s1
SMILES: C[C@]12CC[C@H]3C(=C1CC[C@@H]2OCOC)C(=O)C[C@H]4[C@@]3(C(=O)CC[C@@H]4O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C(=O)OC
InChI: InChI=1S/C38H48O7Si/c1-36(2,3)46(25-13-9-7-10-14-25,26-15-11-8-12-16-26)45-31-18-19-32(40)38(35(41)43-6)28-21-22-37(4)27(17-20-33(37)44-24-42-5)34(28)30(39)23-29(31)38/h7-16,28-29,31,33H,17-24H2,1-6H3/t28-,29+,31-,33-,37-,38-/m0/s1
SMILES: CC1=C(S[C@H]2[C@H]([C@H]3[C@@H](COC(O3)(C)C)O[C@H]2O1)O)C(=O)C
InChI: InChI=1S/C14H20O6S/c1-6(15)11-7(2)18-13-12(21-11)9(16)10-8(19-13)5-17-14(3,4)20-10/h8-10,12-13,16H,5H2,1-4H3/t8-,9+,10-,12+,13-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@H]([C@](O2)(CN3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI: InChI=1S/C32H33N3O7/c1-20-17-35(30(38)34-28(20)37)29-26-27(36)31(42-29,18-33-26)19-41-32(21-7-5-4-6-8-21,22-9-13-24(39-2)14-10-22)23-11-15-25(40-3)16-12-23/h4-17,26-27,29,33,36H,18-19H2,1-3H3,(H,34,37,38)/t26-,27+,29+,31-/m0/s1
SMILES: C[N@+]1(CCC2=CC[C@@H]3[C@H]([C@@H]21)C4=CC(=C(C=C4C(=O)O3)O)OC)[O-]
InChI: InChI=1S/C17H19NO5/c1-18(21)6-5-9-3-4-13-15(16(9)18)10-8-14(22-2)12(19)7-11(10)17(20)23-13/h3,7-8,13,15-16,19H,4-6H2,1-2H3/t13-,15-,16-,18-/m1/s1
SMILES: CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)C
InChI: InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22-,23-,25-,26-,27-/m0/s1
SMILES: C[C@@H](C(=O)N[C@@H]1C=C(C[C@H]([C@@H]1O)O)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)N)NC
InChI: InChI=1S/C16H28N4O7S/c1-8(18-2)15(24)20-11-6-9(7-12(21)13(11)22)16(25)19-10(14(17)23)4-5-28(3,26)27/h6,8,10-13,18,21-22H,4-5,7H2,1-3H3,(H2,17,23)(H,19,25)(H,20,24)/t8-,10-,11+,12+,13+/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)C(=CC(=O)[C@]6([C@H]5C7=CC=C(C=C7)O)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C48H40N4O5/c1-51(2)34-19-15-32(16-20-34)49-50-33-17-21-35(22-18-33)52-46(56)38-26-25-37-40(43(38)47(52)57)27-41-45(55)39(29-9-5-3-6-10-29)28-42(54)48(41,31-11-7-4-8-12-31)44(37)30-13-23-36(53)24-14-30/h3-25,28,38,40-41,43-44,53H,26-27H2,1-2H3/t38-,40+,41-,43-,44-,48-/m0/s1
SMILES: C[C@@H](C(=O)OCC1CCC1)NP(=O)(OC2C([C@@]([C@@H](O2)N3C=NC4=C3N=C(N=C4N(C)NS(=O)(=O)C)N)(C)O)O)OC5=CC=C(C=C5)Cl
InChI: InChI=1S/C26H36ClN8O10PS/c1-14(22(37)42-12-15-6-5-7-15)32-46(39,44-17-10-8-16(27)9-11-17)45-23-19(36)26(2,38)24(43-23)35-13-29-18-20(30-25(28)31-21(18)35)34(3)33-47(4,40)41/h8-11,13-15,19,23-24,33,36,38H,5-7,12H2,1-4H3,(H,32,39)(H2,28,30,31)/t14-,19?,23?,24+,26+,46?/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NNC(=O)C3=C(C=CC(=C3)Cl)Cl
InChI: InChI=1S/C18H19Cl2N3O4/c19-10-5-6-14(20)13(9-10)16(25)22-21-15(24)7-8-23-17(26)11-3-1-2-4-12(11)18(23)27/h5-6,9,11-12H,1-4,7-8H2,(H,21,24)(H,22,25)/t11-,12+
SMILES: CC(=O)N(CC=C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C33H61N5O5Si3/c1-18-19-37(23(2)39)28-25-29(35-21-34-28)38(22-36-25)30-27(43-46(16,17)33(9,10)11)26(42-45(14,15)32(6,7)8)24(41-30)20-40-44(12,13)31(3,4)5/h18,21-22,24,26-27,30H,1,19-20H2,2-17H3/t24-,26-,27-,30-/m1/s1
SMILES: C[C@H]1[C@@H](C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=C2CC(=O)OC)C(=C5C)C(=O)OC)N4)C=C)C)C=C)C)CCC(=O)OC
InChI: InChI=1S/C37H40N4O6/c1-10-22-18(3)26-15-28-20(5)24(12-13-32(42)45-7)35(40-28)25(14-33(43)46-8)36-34(37(44)47-9)21(6)29(41-36)17-31-23(11-2)19(4)27(39-31)16-30(22)38-26/h10-11,15-17,20,24,38-39H,1-2,12-14H2,3-9H3/t20-,24-/m0/s1
SMILES: CCCCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]4(C3CC=C5C4(CC[C@@]6(C5CC(CC6)(C)C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)O)O)O
InChI: InChI=1S/C46H74O14/c1-9-10-21-56-37(54)36-33(51)32(50)35(53)39(59-36)58-29-14-15-43(6)27(42(29,4)5)13-16-45(8)28(43)12-11-24-25-22-41(2,3)17-19-46(25,20-18-44(24,45)7)40(55)60-38-34(52)31(49)30(48)26(23-47)57-38/h11,25-36,38-39,47-53H,9-10,12-23H2,1-8H3/t25?,26-,27?,28?,29+,30-,31+,32+,33+,34-,35-,36+,38+,39-,43+,44?,45-,46+/m1/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]([C@@H](C2=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H19NO3/c1-27-19-14-12-18(13-15-19)24-21(22(25)17-10-6-3-7-11-17)20(23(24)26)16-8-4-2-5-9-16/h2-15,20-21H,1H3/t20-,21-/m0/s1
SMILES: CC1(OC[C@]2(C[C@H]([C@@H]3[C@H]([C@@H]2O1)OC(O3)(C)C)OCOC)O)C
InChI: InChI=1S/C15H26O7/c1-13(2)19-7-15(16)6-9(18-8-17-5)10-11(12(15)22-13)21-14(3,4)20-10/h9-12,16H,6-8H2,1-5H3/t9-,10-,11-,12+,15+/m1/s1
SMILES: C/C(=N\O)/C1=CC[C@H]2[C@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3([C@@H](C[C@@H](C4)O)O)C)C
InChI: InChI=1S/C21H31NO3/c1-12(22-25)16-6-7-17-15-5-4-13-10-14(23)11-19(24)21(13,3)18(15)8-9-20(16,17)2/h4,6,14-15,17-19,23-25H,5,7-11H2,1-3H3/b22-12+/t14-,15-,17-,18-,19-,20+,21+/m1/s1
SMILES: CCOC(=O)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)Br
InChI: InChI=1S/C21H18BrN3O5/c1-3-30-21(28)17-16-18(25(23-17)13-10-8-12(22)9-11-13)20(27)24(19(16)26)14-6-4-5-7-15(14)29-2/h4-11,16,18H,3H2,1-2H3/t16-,18+/m1/s1
SMILES: CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H]3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C20H24N2O3/c1-22-19(23)17-9-5-4-8-16(17)18(21-22)20(24)25-15-11-10-13-6-2-3-7-14(13)12-15/h4-5,8-9,13-15H,2-3,6-7,10-12H2,1H3/t13-,14+,15-/m0/s1
SMILES: CC(=O)OC[C@@]12C[C@@H]1[C@H](C[C@@H]2OC(=O)C)N3C=CC(=NC3=O)N4C=NC=N4
InChI: InChI=1S/C17H19N5O5/c1-10(23)26-7-17-6-12(17)13(5-14(17)27-11(2)24)21-4-3-15(20-16(21)25)22-9-18-8-19-22/h3-4,8-9,12-14H,5-7H2,1-2H3/t12-,13+,14+,17+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NNC(=O)[C@H]3COC4=CC=CC=C4O3
InChI: InChI=1S/C20H23N3O6/c24-17(9-10-23-19(26)12-5-1-2-6-13(12)20(23)27)21-22-18(25)16-11-28-14-7-3-4-8-15(14)29-16/h3-4,7-8,12-13,16H,1-2,5-6,9-11H2,(H,21,24)(H,22,25)/t12-,13+,16-/m1/s1
SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-]
InChI: InChI=1S/C19H17N9O5S2.C7H17NO5/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32);4-13H,2-3H2,1H3/b24-11-;/t12-,17-;4-,5+,6+,7+/m10/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](C[C@@H]3CCCC[C@H]3[C@@H]2/C=C/C4=NC=C(C=C4)C5=CC=CC=C5)C(=O)O1
InChI: InChI=1S/C26H29NO2/c1-17-25-23(22-10-6-5-9-19(22)15-24(25)26(28)29-17)14-13-21-12-11-20(16-27-21)18-7-3-2-4-8-18/h2-4,7-8,11-14,16-17,19,22-25H,5-6,9-10,15H2,1H3/b14-13+/t17-,19+,22-,23+,24-,25+/m1/s1
SMILES: CCC1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4OS(=O)(=O)C)C)OS(=O)(=O)N
InChI: InChI=1S/C21H31NO6S2/c1-4-13-11-17-14(12-19(13)27-30(22,25)26)5-6-16-15(17)9-10-21(2)18(16)7-8-20(21)28-29(3,23)24/h11-12,15-16,18,20H,4-10H2,1-3H3,(H2,22,25,26)/t15-,16+,18-,20-,21-/m0/s1
SMILES: CCOC1=CC=C(C=C1)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H24N2O4/c1-2-25-14-9-7-13(8-10-14)20-17(22)11-12-21-18(23)15-5-3-4-6-16(15)19(21)24/h7-10,15-16H,2-6,11-12H2,1H3,(H,20,22)/t15-,16-/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@H]3[C@H](C(=NCCN3C(=O)O2)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)OC4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)CC#CC5=CC=C(S5)C#CC6=CC=CC=N6)C)C)C
InChI: InChI=1S/C46H60N4O8S/c1-11-36-46(8)40-29(4)37(48-23-24-50(40)44(54)58-46)27(2)26-45(7,21-14-16-33-19-20-34(59-33)18-17-32-15-12-13-22-47-32)41(30(5)38(51)31(6)42(53)56-36)57-43-39(52)35(49(9)10)25-28(3)55-43/h12-13,15,19-20,22,27-31,35-36,39-41,43,52H,11,21,23-26H2,1-10H3/t27-,28-,29+,30+,31-,35+,36-,39-,40-,41-,43?,45+,46-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H](CCNC(=O)OC(C)(C)C)C3=CC=C(C=C3)OC)OC)C
InChI: InChI=1S/C23H35NO7/c1-22(2,3)31-21(25)24-13-12-16(14-8-10-15(26-6)11-9-14)17-18(27-7)19-20(28-17)30-23(4,5)29-19/h8-11,16-20H,12-13H2,1-7H3,(H,24,25)/t16-,17-,18+,19-,20-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)CCCCCC(=O)O)C(=O)N(C3=O)CCCCCC(=O)O
InChI: InChI=1S/C36H44N2O11/c1-48-26-17-20(18-27(49-2)32(26)43)11-12-22-21-13-14-23-31(36(47)37(33(23)44)15-7-3-5-9-28(39)40)24(21)19-25-30(22)35(46)38(34(25)45)16-8-4-6-10-29(41)42/h11-13,17-18,22-25,30-31,43H,3-10,14-16,19H2,1-2H3,(H,39,40)(H,41,42)/t22-,23-,24+,25+,30-,31-/m0/s1
SMILES: CC1([C@H]([C@H]2CC[C@]3(C2)[C@H]1C(=O)C(C3)C(=O)OC)OCC4=CC=CC=C4)C
InChI: InChI=1S/C22H28O4/c1-21(2)18-17(23)16(20(24)25-3)12-22(18)10-9-15(11-22)19(21)26-13-14-7-5-4-6-8-14/h4-8,15-16,18-19H,9-13H2,1-3H3/t15-,16?,18-,19-,22+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(CC[C@@H]4/C=N/NC5=NCCN5)O)C)O
InChI: InChI=1S/C23H38N4O2/c1-21-8-6-17(28)13-15(21)3-4-19-18(21)7-9-22(2)16(5-10-23(19,22)29)14-26-27-20-24-11-12-25-20/h14-19,28-29H,3-13H2,1-2H3,(H2,24,25,27)/b26-14+/t15-,16-,17+,18?,19?,21+,22-,23+/m1/s1
SMILES: CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OCC2=CC=CC=C2)N3CC[C@H]([C@@H](C3=O)NC(=O)[C@H](COCC4=CC=CC=C4)NC(=O)OC(C)(C)C)C=C
InChI: InChI=1S/C45H63N5O10/c1-8-33-24-27-50(40(53)37(33)48-38(51)34(47-43(56)60-45(5,6)7)30-57-28-31-18-11-9-12-19-31)35(39(52)49-26-17-23-36(49)41(54)59-44(2,3)4)22-15-16-25-46-42(55)58-29-32-20-13-10-14-21-32/h8-14,18-21,33-37H,1,15-17,22-30H2,2-7H3,(H,46,55)(H,47,56)(H,48,51)/t33-,34+,35+,36+,37+/m1/s1
SMILES: CC(=O)[C@@]1(C[C@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)O
InChI: InChI=1S/C33H32O16/c1-12(34)33(43)10-18-20(26(41)22-21(25(18)40)23(38)16-8-6-7-9-17(16)24(22)39)19(11-33)48-32-30(47-15(4)37)28(46-14(3)36)27(45-13(2)35)29(49-32)31(42)44-5/h6-9,19,27-30,32,40-41,43H,10-11H2,1-5H3/t19-,27+,28+,29+,30-,32-,33-/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2O)/C=C/C(=O)N3CCCCC3)N4CCCCC4)O)C
InChI: InChI=1S/C24H34N2O4/c1-24(2)23(29)21(26-15-7-4-8-16-26)20-18(30-24)11-9-17(22(20)28)10-12-19(27)25-13-5-3-6-14-25/h9-12,21,23,28-29H,3-8,13-16H2,1-2H3/b12-10+/t21-,23+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)O)Cl)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)CCC(=O)O
InChI: InChI=1S/C35H28Cl2FN3O7/c36-18-3-1-17(2-4-18)35-26(32(46)41(34(35)48)39-20-7-5-19(38)6-8-20)16-25-22(30(35)23-10-9-21(42)15-27(23)37)11-12-24-29(25)33(47)40(31(24)45)14-13-28(43)44/h1-11,15,24-26,29-30,39,42H,12-14,16H2,(H,43,44)/t24-,25+,26-,29-,30+,35+/m0/s1
SMILES: COC1=CC(=C(C(=C1)OC)[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)CC7=CC=CS7)O
InChI: InChI=1S/C33H23Cl2F5N2O7S/c1-48-12-8-17(43)20(18(9-12)49-2)21-14-5-6-15-19(29(45)41(28(15)44)11-13-4-3-7-50-13)16(14)10-32(34)30(46)42(31(47)33(21,32)35)27-25(39)23(37)22(36)24(38)26(27)40/h3-5,7-9,15-16,19,21,43H,6,10-11H2,1-2H3/t15-,16+,19-,21+,32+,33-/m0/s1
SMILES: CC(=O)C[C@@H]([C@H]1[C@H](C(=O)N1C2=CC=CC=C2)OC3=CC=C(C=C3)OC)O
InChI: InChI=1S/C20H21NO5/c1-13(22)12-17(23)18-19(26-16-10-8-15(25-2)9-11-16)20(24)21(18)14-6-4-3-5-7-14/h3-11,17-19,23H,12H2,1-2H3/t17-,18-,19+/m0/s1
SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCN=C(N)N)O)[C@@H](C)CC)C)CC3=CNC4=CC=CC=C43)C(C)C)C
InChI: InChI=1S/C48H73N11O12/c1-8-10-11-18-35(60)53-33(23-37(62)63)42(65)57-39-27(6)71-47(70)38(25(3)4)56-43(66)34(22-28-24-52-30-16-13-12-15-29(28)30)58(7)46(69)40(26(5)9-2)59-36(61)20-19-32(45(59)68)55-41(64)31(54-44(39)67)17-14-21-51-48(49)50/h12-13,15-16,24-27,31-34,36,38-40,52,61H,8-11,14,17-23H2,1-7H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,49,50,51)/t26-,27+,31-,32-,33-,34-,36+,38-,39-,40-/m0/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)OC(=O)CSC
InChI: InChI=1S/C24H34O5S/c1-14(25)24(29-20(28)13-30-4)10-8-18-17-6-5-15-11-16(26)7-9-22(15,2)21(17)19(27)12-23(18,24)3/h11,17-19,21,27H,5-10,12-13H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-/m0/s1
SMILES: CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C23H31N3O3/c1-17-5-4-6-18(15-17)16-24-11-13-25(14-12-24)21(27)9-10-26-22(28)19-7-2-3-8-20(19)23(26)29/h4-6,15,19-20H,2-3,7-14,16H2,1H3/p+1/t19-,20-/m1/s1
SMILES: CC(C)(C=C)[C@@]12C[C@H]3C(=O)N[C@H](C(=O)N3[C@@H]1NC4=CC=CC=C24)CC5=CC=CC=C5
InChI: InChI=1S/C25H27N3O2/c1-4-24(2,3)25-15-20-21(29)26-19(14-16-10-6-5-7-11-16)22(30)28(20)23(25)27-18-13-9-8-12-17(18)25/h4-13,19-20,23,27H,1,14-15H2,2-3H3,(H,26,29)/t19-,20-,23-,25+/m0/s1
SMILES: CC1(C[C@@H]2CC(=O)CC/C=C\[C@@H]2[C@H]1O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI: InChI=1S/C29H38O2Si/c1-28(2,3)32(24-15-8-6-9-16-24,25-17-10-7-11-18-25)31-27-26-19-13-12-14-23(30)20-22(26)21-29(27,4)5/h6-11,13,15-19,22,26-27H,12,14,20-21H2,1-5H3/b19-13-/t22-,26-,27+/m0/s1
SMILES: C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)CC6=CC=CS6)C)CN1C
InChI: InChI=1S/C28H39NO2S/c1-18-23-8-9-25-22-7-6-19-15-20(31-26(30)16-21-5-4-14-32-21)10-12-27(19,2)24(22)11-13-28(23,25)17-29(18)3/h4-6,14,18,20,22-25H,7-13,15-17H2,1-3H3/t18-,20-,22+,23+,24-,25-,27-,28-/m0/s1
SMILES: CC(C)[C@@H]1[C@H]2CC=C[C@@H]2C3=C(N1)C(=CC(=C3[N+](=O)[O-])Cl)[O-]
InChI: InChI=1S/C15H17ClN2O3/c1-7(2)13-9-5-3-4-8(9)12-14(17-13)11(19)6-10(16)15(12)18(20)21/h3-4,6-9,13,17,19H,5H2,1-2H3/p-1/t8-,9-,13+/m0/s1
SMILES: CC(=NC1=C[C@@H]2[C@H](CO[C@@H](O2)C3=CC=CC=C3)OC1=O)CC(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H21NO5/c1-15(12-19(25)16-8-4-2-5-9-16)24-18-13-20-21(28-22(18)26)14-27-23(29-20)17-10-6-3-7-11-17/h2-11,13,20-21,23H,12,14H2,1H3/t20-,21+,23+/m1/s1
SMILES: CCCC[C@@H]1[C@H]2[C@]3(CN(CC[C@@H]3CC1=O)CC4=CC=C(C=C4)OC)C5=CC=CC=C5N2
InChI: InChI=1S/C27H34N2O2/c1-3-4-7-22-25(30)16-20-14-15-29(17-19-10-12-21(31-2)13-11-19)18-27(20)23-8-5-6-9-24(23)28-26(22)27/h5-6,8-13,20,22,26,28H,3-4,7,14-18H2,1-2H3/t20-,22+,26+,27+/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SC4=CC(=CC=C4)Br
InChI: InChI=1S/C21H17BrN2O4S2/c22-13-7-4-8-14(10-13)30-15-11-29-20-17(19(26)24(20)18(15)21(27)28)23-16(25)9-12-5-2-1-3-6-12/h1-8,10,17,20H,9,11H2,(H,23,25)(H,27,28)/t17-,20-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(CC2=CC=C(C=C2)OC(F)(F)F)C[C@@]3(CC[C@@H]4[C@@]3(CC[C@H]5C4=CC=C6[C@@]5(CC[C@@H](C6)O)C)C)O)C(C)C
InChI: InChI=1S/C39H54F3NO5/c1-24(2)30-12-6-25(3)20-34(30)47-35(45)43(22-26-7-10-29(11-8-26)48-39(40,41)42)23-38(46)19-16-33-31-13-9-27-21-28(44)14-17-36(27,4)32(31)15-18-37(33,38)5/h7-11,13,24-25,28,30,32-34,44,46H,6,12,14-23H2,1-5H3/t25-,28-,30+,32-,33-,34-,36-,37-,38+/m0/s1
SMILES: CS/C=C/C([C@@H]1[C@H](C[C@@H]2[C@H]1CC23OCCO3)O)SC
InChI: InChI=1S/C14H22O3S2/c1-18-6-3-12(19-2)13-9-8-14(16-4-5-17-14)10(9)7-11(13)15/h3,6,9-13,15H,4-5,7-8H2,1-2H3/b6-3+/t9-,10-,11+,12?,13+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)[C@@H]2CS[C@@H](N2C(=O)C)C3=CC=CO3
InChI: InChI=1S/C20H28N2O5S/c1-12-7-4-5-8-15(12)21-18(24)13(2)27-20(25)16-11-28-19(22(16)14(3)23)17-9-6-10-26-17/h6,9-10,12-13,15-16,19H,4-5,7-8,11H2,1-3H3,(H,21,24)/t12-,13+,15-,16-,19+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@]1([C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[Si](C)(C)C(C)(C)C)O)O
InChI: InChI=1S/C23H44O7Si2/c1-21(2,3)31(8,9)29-14-23(26)17(24)12-15-16(19(25)27-7)13-28-20(18(15)23)30-32(10,11)22(4,5)6/h13,15,17-18,20,24,26H,12,14H2,1-11H3/t15-,17+,18-,20+,23+/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1C=C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H48O4Si/c1-8-9-12-15-23(31-32(6,7)27(2,3)4)20-18-22-19-21-25(28)24(22)16-13-10-11-14-17-26(29)30-5/h10,13,18-25,28H,8-9,11-12,14-17H2,1-7H3/b13-10-,20-18+/t22-,23-,24+,25-/m0/s1
SMILES: C[C@@H]1C[C@H]([C@@]2([C@H]([C@]1(C)CC[C@](C)(C=C)O)CC(=O)C=C2C)C)OC(=O)C
InChI: InChI=1S/C22H34O4/c1-8-20(5,25)9-10-21(6)14(2)12-19(26-16(4)23)22(7)15(3)11-17(24)13-18(21)22/h8,11,14,18-19,25H,1,9-10,12-13H2,2-7H3/t14-,18+,19-,20+,21-,22+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2
InChI: InChI=1S/C20H27N3O2S2/c1-12-6-2-4-8-14(12)21-17(24)11-26-10-16-22-19(25)18-13-7-3-5-9-15(13)27-20(18)23-16/h12,14H,2-11H2,1H3,(H,21,24)(H,22,23,25)/t12-,14-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]2[C@@H](O1)[C@H](C(=O)O2)NN(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI: InChI=1S/C19H20N2O4/c1-12-16(22)18-17(24-12)15(19(23)25-18)20-21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-18,20,22H,1H3/t12-,15+,16+,17-,18-/m0/s1
SMILES: CCON=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)OC)C=O)CCCCO)CCCCO)OCC=C)N(CC6=CC7=C(C=C6)OCO7)C(=O)OCCC=C
InChI: InChI=1S/C50H60N2O12/c1-5-8-24-58-49(56)52(30-33-15-18-44-45(25-33)60-32-59-44)46-29-41(51-62-7-3)39-27-34(13-9-11-21-53)38(14-10-12-22-54)47-40-28-37(63-36-16-19-42(57-4)35(26-36)31-55)17-20-43(40)64-50(46,48(39)47)61-23-6-2/h5-6,15-20,25-28,31,34,38,46-48,53-54H,1-2,7-14,21-24,29-30,32H2,3-4H3/t34-,38+,46-,47+,48+,50+/m0/s1
SMILES: COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(=O)[C@@]34[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N9CCCCCCC9
InChI: InChI=1S/C49H45N3O6/c1-57-38-26-19-32(20-27-38)17-18-33-21-28-40-39(31-33)49(48(56)50-40)41(46(54)51-29-11-3-2-4-12-30-51)43-47(55)58-44(35-15-9-6-10-16-35)42(34-13-7-5-8-14-34)52(43)45(49)36-22-24-37(53)25-23-36/h5-10,13-16,19-28,31,41-45,53H,2-4,11-12,29-30H2,1H3,(H,50,56)/t41-,42-,43-,44+,45+,49-/m1/s1