EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1CC(=C[C@H]([C@@H]1C2OCC3(CO2)COC(OC3)[C@@H]4[C@H](CC(=C[C@H]4C)C)C)C)C
InChI: InChI=1S/C25H40O4/c1-15-7-17(3)21(18(4)8-15)23-26-11-25(12-27-23)13-28-24(29-14-25)22-19(5)9-16(2)10-20(22)6/h7,9,17-24H,8,10-14H2,1-6H3/t17-,18+,19-,20+,21+,22+,23?,24?,25?/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@]2([C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)C)O)OCC4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C32H34N2O9S/c1-22-13-15-26(16-14-22)44(38,39)42-21-32(20-40-18-24-9-5-3-6-10-24)28(41-19-25-11-7-4-8-12-25)27(35)30(43-32)34-17-23(2)29(36)33-31(34)37/h3-17,27-28,30,35H,18-21H2,1-2H3,(H,33,36,37)/t27-,28+,30-,32+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C
InChI: InChI=1S/C20H26N2O/c1-12-9-14(3)19-16(10-12)17(11-15(4)21-19)20(23)22-18-8-6-5-7-13(18)2/h9-11,13,18H,5-8H2,1-4H3,(H,22,23)/t13-,18-/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@@H](COC2=CC=CC(=C2)[N+](=O)[O-])O)[C@@H](COC3=CC=CC(=C3)[N+](=O)[O-])O)C
InChI: InChI=1S/C21H24N2O10/c1-21(2)32-19(17(24)11-30-15-7-3-5-13(9-15)22(26)27)20(33-21)18(25)12-31-16-8-4-6-14(10-16)23(28)29/h3-10,17-20,24-25H,11-12H2,1-2H3/t17-,18-,19-,20-/m1/s1
SMILES: C[C@@H]1C=C([C@H](C[C@@H]1OC(=O)C)C(=C)C)[Si](C)(C)C2=CC=CC=C2
InChI: InChI=1S/C20H28O2Si/c1-14(2)18-13-19(22-16(4)21)15(3)12-20(18)23(5,6)17-10-8-7-9-11-17/h7-12,15,18-19H,1,13H2,2-6H3/t15-,18-,19+/m1/s1
SMILES: C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)C(C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C
InChI: InChI=1S/C27H44N4O17/c1-9(23(40)31-13(25(42)43)5-6-16(36)37)28-24(41)10(2)45-22-18(30-12(4)35)26(44)46-15(8-33)21(22)48-27-17(29-11(3)34)20(39)19(38)14(7-32)47-27/h9-10,13-15,17-22,26-27,32-33,38-39,44H,5-8H2,1-4H3,(H,28,41)(H,29,34)(H,30,35)(H,31,40)(H,36,37)(H,42,43)/t9-,10?,13+,14+,15+,17+,18+,19+,20+,21+,22+,26+,27-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=S)NNC(=O)CC2=CC=CC=C2C
InChI: InChI=1S/C18H27N3OS/c1-12-8-6-10-16(14(12)3)19-18(23)21-20-17(22)11-15-9-5-4-7-13(15)2/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3,(H,20,22)(H2,19,21,23)/t12-,14+,16+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C[C@@H]6CC[C@H]7C[C@@H]6C7(C)C)C[C@@H](CO)O)O)C(=C5)C(=O)CC8=C(C=CC=C8Cl)F)O)C
InChI: InChI=1S/C43H59ClFNO5/c1-38(2)27-9-8-26(31(38)18-27)22-46(23-29(49)24-47)25-42(51)15-12-37-40(42,4)14-11-36-39(3)13-10-28(48)20-41(39)16-17-43(36,37)32(21-41)35(50)19-30-33(44)6-5-7-34(30)45/h5-7,16-17,21,26-29,31,36-37,47-49,51H,8-15,18-20,22-25H2,1-4H3/t26-,27-,28?,29-,31-,36+,37+,39+,40-,41-,42+,43+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C
InChI: InChI=1S/C19H28N2O4/c1-10-7-6-8-15(11(10)2)21-16(23)9-25-19(24)18-12(3)17(14(5)22)13(4)20-18/h10-11,15,20H,6-9H2,1-5H3,(H,21,23)/t10-,11+,15+/m0/s1
SMILES: C1CN2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)COC4=CC=CC=C4)C(=O)NC5=NC=CS5
InChI: InChI=1S/C21H24N6O2S/c28-20(23-21-22-7-9-30-21)19-13-26-8-6-15(19)10-17(26)12-27-11-16(24-25-27)14-29-18-4-2-1-3-5-18/h1-5,7,9,11,15,17,19H,6,8,10,12-14H2,(H,22,23,28)/t15-,17-,19+/m1/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)CCC(=O)O)C5=C(C6=CC=CC=C6C=C5)O
InChI: InChI=1S/C30H25NO7/c1-14-12-22(32)21-13-20-17(8-9-19-25(20)30(38)31(29(19)37)11-10-23(33)34)24(26(21)27(14)35)18-7-6-15-4-2-3-5-16(15)28(18)36/h2-8,12,19-20,24-25,36H,9-11,13H2,1H3,(H,33,34)/t19-,20+,24+,25-/m0/s1
SMILES: CCO/N=C(/C1=COC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC)C(=O)O
InChI: InChI=1S/C16H19N5O7S/c1-3-28-20-9(8-5-27-16(17)18-8)12(22)19-10-13(23)21-11(15(24)25)7(4-26-2)6-29-14(10)21/h5,10,14H,3-4,6H2,1-2H3,(H2,17,18)(H,19,22)(H,24,25)/b20-9-/t10-,14-/m1/s1
SMILES: C[C@H](CCC(C(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CCC(C4)NCCCN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C)OCC5=CC=CC=C5)C
InChI: InChI=1S/C57H101N3O6Si/c1-40(2)48(66-67(15,16)55(10,11)12)28-25-41(3)45-26-27-46-50-47(30-32-57(45,46)14)56(13)31-29-44(37-43(56)38-49(50)63-39-42-23-18-17-19-24-42)58-34-22-36-60(52(62)65-54(7,8)9)35-21-20-33-59-51(61)64-53(4,5)6/h17-19,23-24,40-41,43-50,58H,20-22,25-39H2,1-16H3,(H,59,61)/t41-,43-,44?,45-,46+,47+,48?,49-,50+,56+,57-/m1/s1
SMILES: C[C@@]1(C[C@H]([C@@H]2[C@@]3([C@@H](C[C@H]([C@]2([C@H]1O)O)O)C([C@@H]([C@@H]([C@@H]3O)O)O)(C)C)C)O)C=C
InChI: InChI=1S/C20H34O7/c1-6-18(4)8-9(21)13-19(5)10(7-11(22)20(13,27)16(18)26)17(2,3)14(24)12(23)15(19)25/h6,9-16,21-27H,1,7-8H2,2-5H3/t9-,10+,11-,12+,13-,14-,15+,16+,18+,19+,20+/m1/s1
SMILES: C1[C@H]2[C@H]([C@H]3[C@@H](C4=C2C(=O)C[C@@H](O4)C5=CC=CC=C5)C67[C@H]8CC(=O)O[C@H]8C3C=C6O[C@@H](CC7=O)C9=CC=CC=C9)OC1=O
InChI: InChI=1S/C34H28O8/c35-21-14-22(16-7-3-1-4-8-16)40-33-28(21)19-12-26(37)42-32(19)29-18-11-25-34(30(29)33,20-13-27(38)41-31(18)20)24(36)15-23(39-25)17-9-5-2-6-10-17/h1-11,18-20,22-23,29-32H,12-15H2/t18?,19-,20+,22-,23+,29-,30+,31+,32-,34?/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(CC2=C(N(N=C2C)C)C)C(=O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C24H31N3O3/c1-5-30-24(29)20-11-18(20)13-27(14-22-15(2)25-26(4)16(22)3)23(28)21-12-19(21)17-9-7-6-8-10-17/h6-10,18-21H,5,11-14H2,1-4H3/t18-,19+,20+,21-/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)N[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)N[C@H]3CCCNC3=O)O
InChI: InChI=1S/C20H28N4O6/c1-11-4-6-12(7-5-11)22-19(29)24-14-9-20(30,10-15(25)16(14)26)18(28)23-13-3-2-8-21-17(13)27/h4-7,13-16,25-26,30H,2-3,8-10H2,1H3,(H,21,27)(H,23,28)(H2,22,24,29)/t13-,14-,15+,16+,20-/m0/s1
SMILES: C[NH+](C)CC1=CN(N=N1)C[C@H]2C[C@H]3CC[NH+]2C[C@@H]3C(=O)NCC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C22H30N6O3/c1-26(2)10-17-11-28(25-24-17)12-18-8-16-5-6-27(18)13-19(16)22(29)23-9-15-3-4-20-21(7-15)31-14-30-20/h3-4,7,11,16,18-19H,5-6,8-10,12-14H2,1-2H3,(H,23,29)/p+2/t16-,18-,19+/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H32O6/c1-30-28-27(33-20-23-15-9-4-10-16-23)26(32-19-22-13-7-3-8-14-22)25(24(17-29)34-28)31-18-21-11-5-2-6-12-21/h2-16,24-29H,17-20H2,1H3/t24-,25-,26+,27+,28+/m1/s1
SMILES: C[C@]12C[C@@H]([C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C5(OCCO5)C)C)O)N6CCOC(C6)(C)C
InChI: InChI=1S/C29H47NO5/c1-26(2)17-30(10-11-33-26)21-15-27(3)18(14-22(21)31)6-7-19-20-8-9-24(29(5)34-12-13-35-29)28(20,4)16-23(32)25(19)27/h18-22,24-25,31H,6-17H2,1-5H3/t18-,19-,20-,21-,22-,24-,25+,27-,28-/m0/s1
SMILES: C=CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3[C@H]([C@H]([C@H]4[C@H](O3)CO[C@H](O4)C5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)NC(=O)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C53H56Cl3NO12/c1-2-28-60-50-43(57-52(58)65-35-53(54,55)56)46(61-30-37-20-10-4-11-21-37)44(41(66-50)33-59-29-36-18-8-3-9-19-36)69-51-48(63-32-39-24-14-6-15-25-39)47(62-31-38-22-12-5-13-23-38)45-42(67-51)34-64-49(68-45)40-26-16-7-17-27-40/h2-27,41-51H,1,28-35H2,(H,57,58)/t41-,42-,43-,44-,45-,46-,47+,48+,49-,50+,51+/m1/s1
SMILES: C[C@@H]1[C@H]([C@]2(C=C[C@H](C3=CC=CC1=C32)C(=O)OC)C(=O)OC)C
InChI: InChI=1S/C18H20O4/c1-10-11(2)18(17(20)22-4)9-8-14(16(19)21-3)13-7-5-6-12(10)15(13)18/h5-11,14H,1-4H3/t10-,11-,14-,18+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=C(C(=CC=C2)Cl)Cl
InChI: InChI=1S/C16H19Cl2NO3/c1-10-5-2-3-8-13(10)19-14(20)9-22-16(21)11-6-4-7-12(17)15(11)18/h4,6-7,10,13H,2-3,5,8-9H2,1H3,(H,19,20)/t10-,13-/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](O[C@@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)C=O
InChI: InChI=1S/C26H26O5/c27-16-23-24(28-17-20-10-4-1-5-11-20)25(29-18-21-12-6-2-7-13-21)26(31-23)30-19-22-14-8-3-9-15-22/h1-16,23-26H,17-19H2/t23-,24-,25-,26+/m1/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1S/C17H18Cl2N2O6/c1-9-4-15(22)11(12(9)7-21(25)26)6-17(24)27-8-16(23)20-10-2-3-13(18)14(19)5-10/h2-3,5,9,11-12H,4,6-8H2,1H3,(H,20,23)/t9-,11-,12-/m1/s1
SMILES: CC(C)C1=C2[C@@H]([C@H]3[C@@H]4[C@@]([C@@H]([C@H]5[C@@H]([C@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O
InChI: InChI=1S/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3/t10-,12-,13-,14-,15+,16-,18-,19-/m0/s1
SMILES: C/C=C/C1=C(C=CC2=C1OC[C@H]3[C@@H]2OC4=C3C=CC(=C4)OC)O
InChI: InChI=1S/C19H18O4/c1-3-4-13-16(20)8-7-14-18(13)22-10-15-12-6-5-11(21-2)9-17(12)23-19(14)15/h3-9,15,19-20H,10H2,1-2H3/b4-3+/t15-,19-/m1/s1
SMILES: CC(C)(C1=CN(N=N1)C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCC4=CC=CC=C4)O
InChI: InChI=1S/C21H29N5O2/c1-21(2,28)19-14-26(24-23-19)12-17-10-16-8-9-25(17)13-18(16)20(27)22-11-15-6-4-3-5-7-15/h3-7,14,16-18,28H,8-13H2,1-2H3,(H,22,27)/t16-,17-,18+/m1/s1
SMILES: CCCN(C1CCN(CC1)C[C@H]2CN(C[C@@H]2C3=CC=CC=C3)[C@H](C4CCCCC4)C(=O)O)C(=O)NCC5=CC(=C(C=C5)Cl)Cl
InChI: InChI=1S/C35H48Cl2N4O3/c1-2-17-41(35(44)38-21-25-13-14-31(36)32(37)20-25)29-15-18-39(19-16-29)22-28-23-40(24-30(28)26-9-5-3-6-10-26)33(34(42)43)27-11-7-4-8-12-27/h3,5-6,9-10,13-14,20,27-30,33H,2,4,7-8,11-12,15-19,21-24H2,1H3,(H,38,44)(H,42,43)/t28-,30+,33+/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)N/N=C/2\C[C@H]([C@H]([C@H]3[C@H]2CC[C@@H]4[C@H]3C(=O)N(C4=O)C5CCCCC5)O)O
InChI: InChI=1S/C27H35N3O7/c1-36-17-9-7-15(8-10-17)14-37-27(35)29-28-20-13-21(31)24(32)22-18(20)11-12-19-23(22)26(34)30(25(19)33)16-5-3-2-4-6-16/h7-10,16,18-19,21-24,31-32H,2-6,11-14H2,1H3,(H,29,35)/b28-20+/t18-,19+,21+,22-,23+,24+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3[C@@H]([C@H]4CO[C@@H](C3=O)O4)OC2(C)C
InChI: InChI=1S/C16H19NO6S/c1-9-4-6-10(7-5-9)24(19,20)17-12-13(18)15-21-8-11(22-15)14(12)23-16(17,2)3/h4-7,11-12,14-15H,8H2,1-3H3/t11-,12+,14-,15-/m1/s1
SMILES: CCOC(=O)[C@@H]1C=CN([C@H]2[C@@H]1/C(=C/C)/C=C2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H21NO4S/c1-3-14-10-11-17-18(14)16(19(21)24-4-2)12-13-20(17)25(22,23)15-8-6-5-7-9-15/h3,5-13,16-18H,4H2,1-2H3/b14-3+/t16-,17-,18-/m1/s1
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)CN=C(N)N)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O
InChI: InChI=1S/C36H51N3O12/c1-7-20(2)17-21(3)13-14-27(41)49-30-29(42)34(16-15-22(4)28(48-24(6)40)23(5)18-25-11-9-8-10-12-25)50-26(19-39-33(37)38)35(47,31(43)44)36(30,51-34)32(45)46/h8-14,20-21,23,26,28-30,42,47H,4,7,15-19H2,1-3,5-6H3,(H,43,44)(H,45,46)(H4,37,38,39)/b14-13+/t20-,21+,23+,26+,28+,29+,30+,34-,35+,36-/m0/s1
SMILES: C/C(=N/NC(=O)[C@H]1[C@H]2[C@@]1(CCCC2)C)/C3=CC(=C(C=C3)OC)[N+](=O)[O-]
InChI: InChI=1S/C18H23N3O4/c1-11(12-7-8-15(25-3)14(10-12)21(23)24)19-20-17(22)16-13-6-4-5-9-18(13,16)2/h7-8,10,13,16H,4-6,9H2,1-3H3,(H,20,22)/b19-11-/t13-,16+,18-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@H]2C=C[C@@H](O2)C(=C1C)C#CC3=CC=CC=C3
InChI: InChI=1S/C22H28O2Si/c1-5-25(6-2,7-3)24-22-17(4)19(20-15-16-21(22)23-20)14-13-18-11-9-8-10-12-18/h8-12,15-16,20-22H,5-7H2,1-4H3/t20-,21+,22+/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@H]2CC[C@@]4([C@H]3C/C(=C/C5=CC=C(C=C5)OC)/C4=O)C)O
InChI: InChI=1S/C27H34O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-24,28H,9-13,15-16H2,1-3H3/b18-14-/t20-,22+,23+,24-,26-,27+/m0/s1
SMILES: CN(C)S(=O)(=O)NC1=NN(C(=C1)C(=O)N[C@H]2CCCC[C@@H]2OCC3=CC=CC=C3)CC(=O)N[C@H]4CCCC[C@@H]4OCC5=CC=CC=C5
InChI: InChI=1S/C34H46N6O6S/c1-39(2)47(43,44)38-32-21-29(34(42)36-28-18-10-12-20-31(28)46-24-26-15-7-4-8-16-26)40(37-32)22-33(41)35-27-17-9-11-19-30(27)45-23-25-13-5-3-6-14-25/h3-8,13-16,21,27-28,30-31H,9-12,17-20,22-24H2,1-2H3,(H,35,41)(H,36,42)(H,37,38)/t27-,28-,30-,31-/m0/s1
SMILES: C1CC[C@@]2([C@@H](C1)[C@@]3(/C(=N\O)/CCCC3=[N+]2[O-])O)N4CCOCC4
InChI: InChI=1S/C16H25N3O4/c20-16-12-4-1-2-7-15(12,18-8-10-23-11-9-18)19(22)14(16)6-3-5-13(16)17-21/h12,20-21H,1-11H2/b17-13-/t12-,15-,16+/m1/s1
SMILES: C[C@@H]1[C@H]2C(=C[C@@]([C@H]1C(=O)OC)(C(=O)O2)Br)Br
InChI: InChI=1S/C10H10Br2O4/c1-4-6(8(13)15-2)10(12)3-5(11)7(4)16-9(10)14/h3-4,6-7H,1-2H3/t4-,6+,7-,10+/m0/s1
SMILES: CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
InChI: InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25+,26-,31-,32-/m1/s1
SMILES: CC1=NN(C2=C1[C@H]([C@@H](C(=O)N2)NC(=O)C3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)[O-])OC)C5=CC=CC=C5
InChI: InChI=1S/C27H24N4O6S/c1-16-22-23(20-15-19(38(34,35)36)13-14-21(20)37-2)24(28-26(32)17-9-5-3-6-10-17)27(33)29-25(22)31(30-16)18-11-7-4-8-12-18/h3-15,23-24H,1-2H3,(H,28,32)(H,29,33)(H,34,35,36)/p-1/t23-,24+/m1/s1
SMILES: CCOC(=O)C1=C(NC(=O)N[C@H]1[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C18H28N2O12/c1-2-30-17(28)7-8(15-13(26)11(24)6(4-22)32-15)19-18(29)20-9(7)16-14(27)12(25)10(23)5(3-21)31-16/h5-6,9-16,21-27H,2-4H2,1H3,(H2,19,20,29)/t5-,6-,9-,10+,11-,12+,13-,14-,15+,16+/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1=O)[C@@H](C2=O)NS(=O)(=O)NC3CCCCC3)C(=O)O)C
InChI: InChI=1S/C14H23N3O6S2/c1-14(2)10(13(19)20)17-11(18)9(12(17)24(14)21)16-25(22,23)15-8-6-4-3-5-7-8/h8-10,12,15-16H,3-7H2,1-2H3,(H,19,20)/t9-,10+,12-,24?/m1/s1
SMILES: CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1[C@H](C#C[C@H]2CC[C@H](C2)C(=O)OC)F)O[Si](CC)(CC)CC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C43H81FO5Si3/c1-17-21-22-32(5)29-35(47-50(13,14)42(6,7)8)26-27-36-38(48-51(15,16)43(9,10)11)31-39(49-52(18-2,19-3)20-4)40(36)37(44)28-24-33-23-25-34(30-33)41(45)46-12/h26-27,32-40H,17-23,25,29-31H2,1-16H3/b27-26+/t32-,33+,34+,35+,36-,37-,38+,39-,40-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N2C3=CC=CC=C3)[C@H](C4=CC5=CC=CC=C5C=C4)O
InChI: InChI=1S/C27H23NO3/c1-31-23-15-13-19(14-16-23)25-24(27(30)28(25)22-9-3-2-4-10-22)26(29)21-12-11-18-7-5-6-8-20(18)17-21/h2-17,24-26,29H,1H3/t24-,25-,26+/m1/s1
SMILES: CO[C@@H]1[C@@H]2[C@H]([C@@H]([C@H](O1)CO)OC(=O)C3=CC=CC=C3)OC(=O)[C@@H](CC=CC[C@H](C(=O)O2)CC4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C36H38O9/c1-41-36-32-31(30(29(23-37)42-36)43-33(38)26-17-9-4-10-18-26)44-34(39)27(21-24-13-5-2-6-14-24)19-11-12-20-28(35(40)45-32)22-25-15-7-3-8-16-25/h2-18,27-32,36-37H,19-23H2,1H3/t27-,28-,29+,30+,31-,32-,36-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)F)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H19FO9/c1-6(16)20-5-10-12(21-7(2)17)13(22-8(3)18)11(15)14(24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11+,12-,13-,14+/m1/s1
SMILES: CC[C@H](C)C(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@H]2S1)C3=CC4=C(C=C3)OCCO4
InChI: InChI=1S/C18H22N2O5S2/c1-3-11(2)17(21)19-18-20(13-9-27(22,23)10-16(13)26-18)12-4-5-14-15(8-12)25-7-6-24-14/h4-5,8,11,13,16H,3,6-7,9-10H2,1-2H3/t11-,13+,16+/m0/s1
SMILES: C1CCCC(CC1)(C#CC2=CC3=C(C=C2)N(C(=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)N)C(=O)OCC9=CC=C(C=C9)[N+](=O)[O-])O
InChI: InChI=1S/C50H44N4O10/c51-45(56)40-42-46(57)64-43(34-13-7-4-8-14-34)41(33-11-5-3-6-12-33)53(42)44(35-18-22-37(55)23-19-35)50(40)38-29-31(25-28-49(60)26-9-1-2-10-27-49)17-24-39(38)52(47(50)58)48(59)63-30-32-15-20-36(21-16-32)54(61)62/h3-8,11-24,29,40-44,55,60H,1-2,9-10,26-27,30H2,(H2,51,56)/t40-,41-,42-,43+,44+,50-/m1/s1
SMILES: C[C@@H]1CC2=C([C@H](C(=C(N2)C)C(=O)OC3CCCCC3)C4=CC=CC=C4[N+](=O)[O-])C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C26H30N2O7/c1-14-13-18-23(24(29)20(14)25(30)34-3)22(17-11-7-8-12-19(17)28(32)33)21(15(2)27-18)26(31)35-16-9-5-4-6-10-16/h7-8,11-12,14,16,20,22,27H,4-6,9-10,13H2,1-3H3/t14-,20+,22+/m1/s1
SMILES: [3H][C@]1([C@H]([C@H]([C@H](O1)COP(=O)(O)O)O)O)COP(=O)(O)O
InChI: InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6+/m1/s1/i3T
SMILES: COC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)O
InChI: InChI=1S/C17H18N2O4S/c1-23-10-4-5-11-12(7-10)24-17(18-11)19-15(20)13-8-2-3-9(6-8)14(13)16(21)22/h4-5,7-9,13-14H,2-3,6H2,1H3,(H,21,22)(H,18,19,20)/t8-,9+,13+,14+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=CC4=C3C(=CN4COCC5=CC=CC=C5)C(=O)O)OCC6=CC=CC=C6)O)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C51H49NO10/c53-46-49(60-33-40-24-14-5-15-25-40)48(59-32-39-22-12-4-13-23-39)44(34-56-29-36-16-6-1-7-17-36)61-51(46)62-47-43(58-31-38-20-10-3-11-21-38)27-26-42-45(47)41(50(54)55)28-52(42)35-57-30-37-18-8-2-9-19-37/h1-28,44,46,48-49,51,53H,29-35H2,(H,54,55)/t44-,46-,48-,49-,51+/m1/s1
SMILES: C1=CC(=CC=C1C(=O)C[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C20H28O12/c21-6-12-15(26)16(27)18(29)20(31-12)32-19-13(7-22)30-11(14(25)17(19)28)5-10(24)8-1-3-9(23)4-2-8/h1-4,11-23,25-29H,5-7H2/t11-,12+,13+,14-,15+,16-,17+,18+,19+,20+/m0/s1
SMILES: CCOC(C)O[C@@H]1C[C@@H]([C@@H]([C@@H]([C@@]1([C@@H]2COC(O2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)O)COC(=O)C(C)(C)C)COC(=O)C(C)(C)C)O
InChI: InChI=1S/C39H56O12/c1-11-46-24(2)50-32-20-31(40)29(21-47-34(41)36(3,4)5)30(22-48-35(42)37(6,7)8)38(32,43)33-23-49-39(51-33,25-12-16-27(44-9)17-13-25)26-14-18-28(45-10)19-15-26/h12-19,24,29-33,40,43H,11,20-23H2,1-10H3/t24?,29-,30+,31+,32-,33+,38-/m1/s1
SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O
InChI: InChI=1S/C16H22N2O6/c1-9(14(20)18-8-4-7-12(18)16(23)24)17-13(19)10-5-2-3-6-11(10)15(21)22/h2-3,9-12H,4-8H2,1H3,(H,17,19)(H,21,22)(H,23,24)/t9-,10+,11-,12-/m0/s1
SMILES: CC12C=C(C([C@H]3[C@@H]1C(=O)OC3=O)[C@@H]4[C@H]2C(=O)OC4=O)OC
InChI: InChI=1S/C14H12O7/c1-14-3-4(19-2)5(6-8(14)12(17)20-10(6)15)7-9(14)13(18)21-11(7)16/h3,5-9H,1-2H3/t5?,6-,7+,8+,9-,14?
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=COC5=C(C4)C=C(C=C5)O)Cl)C6=CC=C(C=C6)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)CCC8=CC=C(C=C8)O
InChI: InChI=1S/C37H29Cl2FN2O7/c38-36-17-28-26(10-11-27-30(28)33(46)41(32(27)45)14-13-19-1-7-24(43)8-2-19)31(21-15-20-16-25(44)9-12-29(20)49-18-21)37(36,39)35(48)42(34(36)47)23-5-3-22(40)4-6-23/h1-10,12,16,18,27-28,30-31,43-44H,11,13-15,17H2/t27-,28+,30-,31-,36+,37-/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@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=CC=C(C=C7)OCCO)Cl)CBr)Cl
InChI: InChI=1S/C37H34BrCl2N5O6/c1-43(2)24-9-5-22(6-10-24)41-42-23-7-11-25(12-8-23)45-32(47)28-16-15-27-29(30(28)33(45)48)19-36(39)34(49)44(20-38)35(50)37(36,40)31(27)21-3-13-26(14-4-21)51-18-17-46/h3-15,28-31,46H,16-20H2,1-2H3/t28-,29+,30-,31-,36+,37-/m0/s1
SMILES: CCOC(=O)[C@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=C(C=C3)C)C(=O)N(C2=O)C4=CC=CC=C4)C
InChI: InChI=1S/C23H24N2O4/c1-4-29-22(28)23(3)18-17(19(24-23)15-12-10-14(2)11-13-15)20(26)25(21(18)27)16-8-6-5-7-9-16/h5-13,17-19,24H,4H2,1-3H3/p+1/t17-,18-,19-,23+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H](C3=C(C=CC(=C3O2)OC)/C=C/C(=O)OC)C(=O)OC)OC
InChI: InChI=1S/C23H24O8/c1-26-15-9-7-14(12-17(15)28-3)21-20(23(25)30-5)19-13(8-11-18(24)29-4)6-10-16(27-2)22(19)31-21/h6-12,20-21H,1-5H3/b11-8+/t20-,21+/m0/s1
SMILES: CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C22H26N2O5/c1-13-8-10-16(11-9-13)12-23-19(25)15(3)29-22(28)14(2)24-20(26)17-6-4-5-7-18(17)21(24)27/h4-5,8-11,14-15,17-18H,6-7,12H2,1-3H3,(H,23,25)/t14-,15-,17-,18-/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C(=NN=N3)OC4=CC=CC=C4)NC(=O)COCC(=O)[O-]
InChI: InChI=1S/C17H19N5O7/c23-13(8-26-9-14(24)25)18-11-6-27-16-12(7-28-15(11)16)22-17(19-20-21-22)29-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2,(H,18,23)(H,24,25)/p-1/t11-,12-,15+,16+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NCCCN2CCCC2=O)C3=CN(C4=CC=CC=C43)C(=O)C)CCOCCOCCO
InChI: InChI=1S/C31H43N3O8/c1-3-41-31-24(11-16-39-18-19-40-17-15-35)25(26-21-34(22(2)36)27-9-5-4-8-23(26)27)20-28(42-31)30(38)32-12-7-14-33-13-6-10-29(33)37/h4-5,8-9,20-21,24-25,31,35H,3,6-7,10-19H2,1-2H3,(H,32,38)/t24-,25-,31+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI: InChI=1S/C22H23NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13H2,(H,23,26)(H,24,25)/t18-,20-/m1/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)C5=CC=C(C=C5)OC
InChI: InChI=1S/C27H30O3/c1-4-27(29)14-13-24-22-11-7-18-15-19(28)8-12-21(18)25(22)23(16-26(24,27)2)17-5-9-20(30-3)10-6-17/h1,5-6,9-10,15,22-24,29H,7-8,11-14,16H2,2-3H3/t22-,23+,24-,26-,27-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N[C@H]2CCCC=C2C3=CC4=C(C=C3)OCO4)C(C)C
InChI: InChI=1S/C24H33NO4/c1-15(2)18-10-8-16(3)12-22(18)29-24(26)25-20-7-5-4-6-19(20)17-9-11-21-23(13-17)28-14-27-21/h6,9,11,13,15-16,18,20,22H,4-5,7-8,10,12,14H2,1-3H3,(H,25,26)/t16-,18+,20+,22-/m1/s1
SMILES: C[C@H](/C=C/CO)[C@@H]1[C@H](OC(O1)(C)C)C2=CC=CC=C2
InChI: InChI=1S/C16H22O3/c1-12(8-7-11-17)14-15(19-16(2,3)18-14)13-9-5-4-6-10-13/h4-10,12,14-15,17H,11H2,1-3H3/b8-7+/t12-,14-,15-/m1/s1
SMILES: CC1=C(N(C(=C1C(=O)[C@H](C)N(C(C)C)C(=O)[C@@H]2C[C@H]2C3=CC=CC=C3)C)C)C(=O)OC
InChI: InChI=1S/C25H32N2O4/c1-14(2)27(24(29)20-13-19(20)18-11-9-8-10-12-18)17(5)23(28)21-15(3)22(25(30)31-7)26(6)16(21)4/h8-12,14,17,19-20H,13H2,1-7H3/t17-,19-,20+/m0/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C#CC#C[C@H]5CN6CC[C@H]5C[C@@H]6[C@H](C7=C8C=C(C=CC8=NC=C7)OC)O)O
InChI: InChI=1S/C40H42N4O4/c1-47-29-7-9-35-33(21-29)31(11-15-41-35)39(45)37-19-25-13-17-43(37)23-27(25)5-3-4-6-28-24-44-18-14-26(28)20-38(44)40(46)32-12-16-42-36-10-8-30(48-2)22-34(32)36/h7-12,15-16,21-22,25-28,37-40,45-46H,13-14,17-20,23-24H2,1-2H3/t25-,26-,27-,28-,37+,38+,39-,40-/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)CN4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NC=CC=N6
InChI: InChI=1S/C36H36N4O7S/c1-23-30(22-48-35-37-16-5-17-38-35)46-34(47-32(23)27-12-10-25(20-41)11-13-27)28-14-8-24(9-15-28)19-40-31(42)18-29(33(40)43)39-36(44)45-21-26-6-3-2-4-7-26/h2-17,23,29-30,32,34,41H,18-22H2,1H3,(H,39,44)/t23-,29?,30+,32+,34+/m1/s1
SMILES: C1[C@H](CN(C[C@H]1N)C2=NC(=NC(=N2)NC3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5C=C4)O)N6C[C@H]([C@H](C6)N)N)N
InChI: InChI=1S/C29H35N11O2/c30-17-11-18(31)13-39(12-17)28-36-27(37-29(38-28)40-14-23(32)24(33)15-40)35-20-8-6-19(7-9-20)34-26(42)22-10-5-16-3-1-2-4-21(16)25(22)41/h1-10,17-18,23-24,41H,11-15,30-33H2,(H,34,42)(H,35,36,37,38)/t17-,18+,23-,24+
SMILES: CCCCCCCCCCCCOC(=O)[C@@H]1[C@@H]([C@H](C(=O)O1)O)C(=O)OO
InChI: InChI=1S/C18H30O8/c1-2-3-4-5-6-7-8-9-10-11-12-24-18(22)15-13(16(20)26-23)14(19)17(21)25-15/h13-15,19,23H,2-12H2,1H3/t13-,14-,15+/m1/s1
SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4C[C@@H]5[C@H](C4)NCCC5=O)F)C(=O)O
InChI: InChI=1S/C21H19FN4O4/c22-15-5-11-18(26(10-1-2-10)8-14(20(11)28)21(29)30)12(6-23)19(15)25-7-13-16(9-25)24-4-3-17(13)27/h5,8,10,13,16,24H,1-4,7,9H2,(H,29,30)/t13-,16+/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@]4([C@@]3(C[C@H]([C@H](C4)O)O)C)O)C
InChI: InChI=1S/C21H32O5/c1-11(22)13-4-5-14-12-8-18(25)21(26)10-17(24)16(23)9-20(21,3)15(12)6-7-19(13,14)2/h12-17,23-24,26H,4-10H2,1-3H3/t12-,13+,14-,15-,16+,17-,19+,20+,21-/m0/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)NC2=CC=CC(=C2)NC(=O)C)C(=O)[O-])C
InChI: InChI=1S/C18H22N2O4/c1-10-7-15(16(18(23)24)8-11(10)2)17(22)20-14-6-4-5-13(9-14)19-12(3)21/h4-6,9,15-16H,7-8H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)/p-1/t15-,16-/m1/s1
SMILES: CN(C)[C@@H](CNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C3=CC=CC=C3OC
InChI: InChI=1S/C22H31N3O4/c1-24(2)18(17-10-6-7-11-19(17)29-3)14-23-20(26)12-13-25-21(27)15-8-4-5-9-16(15)22(25)28/h6-7,10-11,15-16,18H,4-5,8-9,12-14H2,1-3H3,(H,23,26)/t15-,16+,18-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OC(C)OC5=CC=CC=C5I)C)C
InChI: InChI=1S/C36H53IO4/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(18-20-35(26,5)31(28)19-21-36(29,30)6)41-34(38)40-25(4)39-33-13-8-7-12-32(33)37/h7-8,12-14,23-25,27-31H,9-11,15-22H2,1-6H3/t24-,25?,27+,28?,29-,30?,31?,35+,36-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H](CC4=CC(=O)CC[C@]34C)[Si](C)(C)C5=CC=CC=C5
InChI: InChI=1S/C33H52O2Si2/c1-31(2,3)37(8,9)35-29-16-15-26-30-27(18-20-33(26,29)5)32(4)19-17-24(34)21-23(32)22-28(30)36(6,7)25-13-11-10-12-14-25/h10-14,21,26-30H,15-20,22H2,1-9H3/t26-,27-,28+,29-,30-,32-,33-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CN2C(=O)CCOC3=CC=CC=C32
InChI: InChI=1S/C21H28N2O5/c1-14-7-3-4-8-16(14)22-21(26)15(2)28-20(25)13-23-17-9-5-6-10-18(17)27-12-11-19(23)24/h5-6,9-10,14-16H,3-4,7-8,11-13H2,1-2H3,(H,22,26)/t14-,15+,16+/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H](C(C2(C)C)CC1=O)O)O)C)O)OC(=O)C
InChI: InChI=1S/C22H32O6/c1-10-14(24)7-8-22(6)16(10)18(26)13-9-15(25)11(2)17(21(13,4)5)19(20(22)27)28-12(3)23/h13-14,16,18-20,24,26-27H,1,7-9H2,2-6H3/t13?,14-,16-,18+,19+,20-,22+/m0/s1
SMILES: CC(=CC(=O)N(CCOC)[C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)CO)C(=O)NCCO)C
InChI: InChI=1S/C25H34N2O8/c1-14(2)9-20(30)27(6-8-33-3)18-12-17(25(32)26-5-7-28)21-16-10-15(13-29)11-19(34-4)23(16)35-24(21)22(18)31/h9-12,18,21-22,24,28-29,31H,5-8,13H2,1-4H3,(H,26,32)/t18-,21+,22+,24+/m1/s1