EdisonScientific/glyph-datasets huggingface dataset:
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6OC)O)OC)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl)(O)O
InChI: InChI=1S/C40H32BCl2F3N4O9/c1-58-29-14-23(51)15-30(59-2)32(29)33-24-10-11-25-31(37(54)49(35(25)52)22-5-3-4-20(13-22)41(56)57)26(24)16-27-36(53)50(38(55)39(27,33)18-6-8-21(42)9-7-18)48-34-28(43)12-19(17-47-34)40(44,45)46/h3-10,12-15,17,25-27,31,33,51,56-57H,11,16H2,1-2H3,(H,47,48)/t25-,26+,27-,31-,33+,39+/m0/s1
SMILES: CCCCCCC1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2NCC4=CC5=CC=CC=C5C=C4)N3
InChI: InChI=1S/C29H36N2O2S/c1-2-3-4-5-8-21-12-15-25(16-13-21)34(32,33)29-27-18-17-26(31-27)28(29)30-20-22-11-14-23-9-6-7-10-24(23)19-22/h6-7,9-16,19,26-31H,2-5,8,17-18,20H2,1H3/t26-,27+,28-,29-/m1/s1
SMILES: C[C@H]1CC[C@@]2([C@H]([C@]1(C)CCC3=CC(=O)OC3)CCC=C2C)C
InChI: InChI=1S/C20H30O2/c1-14-6-5-7-17-19(14,3)10-8-15(2)20(17,4)11-9-16-12-18(21)22-13-16/h6,12,15,17H,5,7-11,13H2,1-4H3/t15-,17+,19-,20+/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OCCN6CC6)CCCCO)CCCCO)N(CC7=CC8=C(C=C7)OCO8)C(=O)CCC9CCCC9
InChI: InChI=1S/C54H69N3O9/c1-2-29-64-54-50(57(51(60)23-19-38-12-6-7-13-38)35-40-18-21-48-49(31-40)63-37-62-48)34-46(55-65-36-39-14-4-3-5-15-39)44-32-41(16-8-10-27-58)43(17-9-11-28-59)52(53(44)54)45-33-42(20-22-47(45)66-54)61-30-26-56-24-25-56/h2-5,14-15,18,20-22,31-33,38,41,43,50,52-53,58-59H,1,6-13,16-17,19,23-30,34-37H2/t41-,43+,50-,52+,53+,54+/m0/s1
SMILES: C[N+]1(CCC2=CC3=C(C4=C2[C@H]1[C@H](C5=CC=CC=C54)O)OCO3)[O-]
InChI: InChI=1S/C18H17NO4/c1-19(21)7-6-10-8-13-18(23-9-22-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3/t16-,17-,19?/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]2[C@H](N(C[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OCC(=C)CO2)C)C)C/C=C/C4=CC5=CC=CC=C5N=C4)C)(C)O
InChI: InChI=1S/C45H67N3O9/c1-12-37-45(9,52)41-32(7)48(19-15-16-33-21-34-17-13-14-18-35(34)46-23-33)24-27(2)22-44(8,54-26-28(3)25-53-41)40(30(5)38(49)31(6)42(51)56-37)57-43-39(50)36(47(10)11)20-29(4)55-43/h13-18,21,23,27,29-32,36-37,39-41,43,50,52H,3,12,19-20,22,24-26H2,1-2,4-11H3/b16-15+/t27-,29-,30+,31?,32-,36+,37-,39-,40-,41+,43+,44-,45-/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=C(O7)C8=C(C=CC(=C8)C(F)(F)F)Cl)C
InChI: InChI=1S/C49H60ClF3N2O5/c1-29(2)54-45(58)55(27-47-24-32-18-33(25-47)20-34(19-32)26-47)28-48(59)17-15-40-37-11-8-31(21-36(56)10-7-30(3)6-5-16-46(40,48)4)22-38(37)44(57)43-14-13-42(60-43)39-23-35(49(51,52)53)9-12-41(39)50/h6,8-9,11-14,22-23,29,32-34,36,40,56,59H,5,7,10,15-21,24-28H2,1-4H3,(H,54,58)/t32?,33?,34?,36-,40-,46-,47?,48+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\O)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI: InChI=1S/C29H54N2O10/c1-11-20-29(8,37)24(34)16(4)21(30-38)14(2)13-28(7,36)25(17(5)22(32)18(6)26(35)40-20)41-27-23(33)19(31(9)10)12-15(3)39-27/h14-20,22-25,27,32-34,36-38H,11-13H2,1-10H3/b30-21-/t14-,15-,16+,17+,18-,19+,20-,22+,23-,24-,25-,27+,28-,29-/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C(=CC=C5)F)O)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl
InChI: InChI=1S/C35H28Cl2F4N4O5/c1-2-12-44-30(47)20-11-10-19-22(26(20)32(44)49)14-23-31(48)45(43-29-24(37)13-17(15-42-29)35(39,40)41)33(50)34(23,16-6-8-18(36)9-7-16)27(19)21-4-3-5-25(38)28(21)46/h3-10,13,15,20,22-23,26-27,46H,2,11-12,14H2,1H3,(H,42,43)/t20-,22+,23-,26-,27+,34+/m0/s1
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@]5([C@@]3(CC[C@@H](C5)O)COC(=O)C)O4)C
InChI: InChI=1S/C30H48O4/c1-18(2)19(3)7-8-20(4)24-9-10-25-23-15-27-30(34-27)16-22(32)11-14-29(30,17-33-21(5)31)26(23)12-13-28(24,25)6/h18,20,22-27,32H,3,7-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(CC4[C@@]3(CCC(C4)O)C)(C5=CC=CC=C5)O)C
InChI: InChI=1S/C33H52O2/c1-22(2)10-9-11-23(3)27-14-15-28-30-29(17-19-32(27,28)5)31(4)18-16-26(34)20-25(31)21-33(30,35)24-12-7-6-8-13-24/h6-8,12-13,22-23,25-30,34-35H,9-11,14-21H2,1-5H3/t23-,25?,26?,27-,28+,29+,30+,31+,32-,33?/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@@H]([C@H]1CC[C@H]2OC(=O)CCC4=CC=CC=C4)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C27H32O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,9,11,17,22-25,28H,7-8,10,12-16H2,1H3/t22-,23-,24+,25+,27+/m0/s1
SMILES: C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC=C([C@]([C@]4(CC3)C)(CBr)O)Cl
InChI: InChI=1S/C21H28BrClO2/c1-12-9-13-10-14(24)3-4-15(13)16-7-8-20(2)17(19(12)16)5-6-18(23)21(20,25)11-22/h6,10,12,15-17,19,25H,3-5,7-9,11H2,1-2H3/t12-,15+,16-,17+,19-,20+,21+/m1/s1
SMILES: C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C(=C)[C@H]1C[C@@]([C@H](O1)CCCO)(C)OC(=O)C
InChI: InChI=1S/C24H46O5Si/c1-16(2)30(17(3)4,18(5)6)27-15-19(7)20(8)22-14-24(10,29-21(9)26)23(28-22)12-11-13-25/h16-19,22-23,25H,8,11-15H2,1-7,9-10H3/t19-,22-,23-,24-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@H](OC(=C)[C@H]1OC(=O)C2=CC=CC=C2)OC)F
InChI: InChI=1S/C16H17FO6/c1-9-13(23-15(19)11-7-5-4-6-8-11)14(22-10(2)18)12(17)16(20-3)21-9/h4-8,12-14,16H,1H2,2-3H3/t12-,13-,14+,16+/m1/s1
SMILES: CC1(O[C@H]([C@H](O1)C(=O)OC)[C@@H]([C@@H](CO)N=[N+]=[N-])O[Si](C)(C)C)C
InChI: InChI=1S/C13H25N3O6Si/c1-13(2)20-10(11(21-13)12(18)19-3)9(22-23(4,5)6)8(7-17)15-16-14/h8-11,17H,7H2,1-6H3/t8-,9-,10+,11+/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C(=C6)C)O)C)C)C7=CC(=NN7C)C8=C(C9=C(S8)C=CC(=C9)Cl)C)Cl
InChI: InChI=1S/C43H38Cl2N4O5S/c1-19-7-9-25(16-31(19)45)48-39(51)27-11-10-26-29(35(27)41(48)53)17-30-40(52)49(42(54)43(30,5)36(26)23-13-20(2)37(50)21(3)14-23)34-18-32(46-47(34)6)38-22(4)28-15-24(44)8-12-33(28)55-38/h7-10,12-16,18,27,29-30,35-36,50H,11,17H2,1-6H3/t27-,29+,30-,35-,36-,43+/m0/s1
SMILES: CC1=C2C(=CC=C1)[C@]3([C@H]4[C@@H]([C@H]([NH2+]3)CCSC)C(=O)N(C4=O)C5CCCC5)C(=O)N2
InChI: InChI=1S/C22H27N3O3S/c1-12-6-5-9-14-18(12)23-21(28)22(14)17-16(15(24-22)10-11-29-2)19(26)25(20(17)27)13-7-3-4-8-13/h5-6,9,13,15-17,24H,3-4,7-8,10-11H2,1-2H3,(H,23,28)/p+1/t15-,16-,17+,22+/m1/s1
SMILES: C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC=CC3=O)O)CO
InChI: InChI=1S/C11H13NO5/c13-5-11-6-16-8(9(11)15)10(17-11)12-4-2-1-3-7(12)14/h1-4,8-10,13,15H,5-6H2/t8-,9+,10-,11+/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C(C=CC(=C23)[N+](=O)[O-])C(=O)[O-])C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C19H14Cl2N2O4/c20-9-4-5-12(14(21)8-9)17-11-3-1-2-10(11)16-15(23(26)27)7-6-13(19(24)25)18(16)22-17/h1-2,4-8,10-11,17,22H,3H2,(H,24,25)/p-1/t10-,11+,17+/m0/s1
SMILES: C[C@@]1(CC2=C(CO[C@H]2OC)[C@H]([C@H]3[C@@H]1CC(C3)(C)C)O)OC
InChI: InChI=1S/C17H28O4/c1-16(2)6-11-13(8-16)17(3,20-5)7-10-12(14(11)18)9-21-15(10)19-4/h11,13-15,18H,6-9H2,1-5H3/t11-,13+,14+,15-,17+/m1/s1
SMILES: CCCOC1=C2[C@@H]3C4[C@H]5C6=C(C[C@H](N5C)[C@@H](N4[C@H](C2=C7C(=C1C)OCO7)COC(=O)[C@@]8(CS3)C9=CC(=C(C=C9CCN8)O)OC)C#N)C=C(C(=C6OCCC)OC)C
InChI: InChI=1S/C44H52N4O9S/c1-8-12-53-38-23(4)39-41(57-21-56-39)33-29-19-55-43(50)44(26-17-31(51-6)30(49)16-24(26)10-11-46-44)20-58-42(34(33)38)36-35-32-25(15-27(47(35)5)28(18-45)48(29)36)14-22(3)37(52-7)40(32)54-13-9-2/h14,16-17,27-29,35-36,42,46,49H,8-13,15,19-21H2,1-7H3/t27-,28-,29-,35+,36?,42+,44+/m0/s1
SMILES: C[C@]12CCC(=O)[C@](C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4C[C@](CC5=O)(C)C(=O)O)C)C)C)(C)CO
InChI: InChI=1S/C30H44O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-21,31H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21+,25-,26+,27-,28+,29+,30+/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=C(C=C3)C=CC(=O)OCC(F)(F)F)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C43H61F3N2O12/c1-7-9-11-21-42(22-12-10-8-2)58-33-24-30(38(53)48-36(27(3)50)39(54)47-31(25-49)18-20-35(52)59-41(4,5)6)23-32(37(33)60-42)57-40(55)29-16-13-28(14-17-29)15-19-34(51)56-26-43(44,45)46/h13-17,19,24,27,31-33,36-37,49-50H,7-12,18,20-23,25-26H2,1-6H3,(H,47,54)(H,48,53)/t27-,31-,32+,33+,36+,37-/m0/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=C(C=C(C=C6)Cl)Cl
InChI: InChI=1S/C27H17Cl2NO5/c1-13-6-9-15(10-7-13)30-25(33)20-21(26(30)34)27(23(31)16-4-2-3-5-17(16)24(27)32)35-22(20)18-11-8-14(28)12-19(18)29/h2-12,20-22H,1H3/t20-,21-,22-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)O)O)O)O)O
InChI: InChI=1S/C14H25NO17S2/c1-4(16)15-7-9(18)12(6(30-13(7)21)3-29-34(25,26)27)32-14-11(20)10(19)8(17)5(31-14)2-28-33(22,23)24/h5-14,17-21H,2-3H2,1H3,(H,15,16)(H,22,23,24)(H,25,26,27)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N(C1=O)C3=CC=C(C=C3)C)C(=O)OC4=C2C=C(C=C4)Br
InChI: InChI=1S/C20H16BrNO4/c1-10-3-6-13(7-4-10)22-18(23)11(2)16-14-9-12(21)5-8-15(14)26-20(25)17(16)19(22)24/h3-9,11,16-17H,1-2H3/t11-,16+,17-/m1/s1
SMILES: CC1([C@H]2CC[C@H]([C@@H]1C2)CN([C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=C4C=C(C=C5OC)CO)C(=O)NCCO)C(=O)C6CCCC6)C
InChI: InChI=1S/C33H46N2O7/c1-33(2)21-9-8-20(24(33)14-21)16-35(32(40)19-6-4-5-7-19)25-15-23(31(39)34-10-11-36)27-22-12-18(17-37)13-26(41-3)29(22)42-30(27)28(25)38/h12-13,15,19-21,24-25,27-28,30,36-38H,4-11,14,16-17H2,1-3H3,(H,34,39)/t20-,21-,24-,25+,27-,28-,30-/m0/s1
SMILES: COCCOC(=O)N1C2=CC=CC=C2[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OCC=C
InChI: InChI=1S/C42H40N2O10/c1-3-23-52-38(46)33-35-39(47)54-36(28-14-8-5-9-15-28)34(27-12-6-4-7-13-27)44(35)37(29-18-20-30(21-19-29)51-24-22-45)42(33)31-16-10-11-17-32(31)43(40(42)48)41(49)53-26-25-50-2/h3-21,33-37,45H,1,22-26H2,2H3/t33-,34-,35-,36+,37+,42-/m1/s1
SMILES: CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)CN2CCC[C@H]3[C@@H]2CCCC3
InChI: InChI=1S/C20H28ClN3O2/c1-14-16(21)8-4-9-17(14)23-19(25)12-22-20(26)13-24-11-5-7-15-6-2-3-10-18(15)24/h4,8-9,15,18H,2-3,5-7,10-13H2,1H3,(H,22,26)(H,23,25)/t15-,18-/m0/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#N)O)C)C
InChI: InChI=1S/C21H25NO2/c1-13-10-18-16-5-4-14-11-15(23)6-8-19(14,2)17(16)7-9-20(18,3)21(13,24)12-22/h6-8,11,13,16,18,24H,4-5,9-10H2,1-3H3/t13-,16+,18-,19-,20-,21+/m0/s1
SMILES: C1CC[C@]2(CCN([C@H]([C@H]2C1)C3=CC=C(C=C3)F)CC(=O)NCC4=CC=CC=C4)O
InChI: InChI=1S/C24H29FN2O2/c25-20-11-9-19(10-12-20)23-21-8-4-5-13-24(21,29)14-15-27(23)17-22(28)26-16-18-6-2-1-3-7-18/h1-3,6-7,9-12,21,23,29H,4-5,8,13-17H2,(H,26,28)/t21-,23+,24-/m1/s1
SMILES: CCC/C=C(\CCC)/C1(C[C@@H]2CC3(C[C@H]2C1)SCCCS3)NC4=CC=CC=C4
InChI: InChI=1S/C25H37NS2/c1-3-5-11-22(10-4-2)24(26-23-12-7-6-8-13-23)16-20-18-25(19-21(20)17-24)27-14-9-15-28-25/h6-8,11-13,20-21,26H,3-5,9-10,14-19H2,1-2H3/b22-11+/t20-,21-/m1/s1
SMILES: CC(=O)C1=N[C@H]2C[C@@]3([C@H]4[C@H]([C@@H]1[C@@H]2CO4)O)C5=C(C=C(C=C5)OC)N(C3=O)OC
InChI: InChI=1S/C20H22N2O6/c1-9(23)16-15-11-8-28-18(17(15)24)20(7-13(11)21-16)12-5-4-10(26-2)6-14(12)22(27-3)19(20)25/h4-6,11,13,15,17-18,24H,7-8H2,1-3H3/t11-,13+,15-,17+,18-,20+/m1/s1
SMILES: CC1=CC(=C2C(=C1C)[C@H]3C=CC[C@H]3[C@@H](N2)C4=CC=C(C=C4)[N+](=O)[O-])Br
InChI: InChI=1S/C20H19BrN2O2/c1-11-10-17(21)20-18(12(11)2)15-4-3-5-16(15)19(22-20)13-6-8-14(9-7-13)23(24)25/h3-4,6-10,15-16,19,22H,5H2,1-2H3/t15-,16+,19-/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H](C(=C)C(=O)C3=C2C=CS3)C(=O)O
InChI: InChI=1S/C19H18O6S/c1-9-14(19(21)22)15(11-5-6-26-18(11)16(9)20)10-7-12(23-2)17(25-4)13(8-10)24-3/h5-8,14-15H,1H2,2-4H3,(H,21,22)/t14-,15-/m1/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)(C)C)N
InChI: InChI=1S/C31H51NO2/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24H,10-19,32H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1
SMILES: CN1CC[C@H]2COC3=C([C@H]2C1)C=C(C=C3)OCCC4=CC=CC=C4
InChI: InChI=1S/C21H25NO2/c1-22-11-9-17-15-24-21-8-7-18(13-19(21)20(17)14-22)23-12-10-16-5-3-2-4-6-16/h2-8,13,17,20H,9-12,14-15H2,1H3/t17-,20-/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CCC)C(=O)OCC6=CC=CC=C6)OCC=C
InChI: InChI=1S/C58H80N4O11/c1-4-7-8-9-10-11-12-13-14-20-33-59-56(65)72-47-31-32-52-50(39-47)54-48(26-19-22-36-64)45(25-18-21-35-63)38-49-51(60-71-42-44-27-29-46(30-28-44)62(67)68)40-53(58(73-52,55(49)54)70-37-6-3)61(34-5-2)57(66)69-41-43-23-16-15-17-24-43/h6,15-17,23-24,27-32,38-39,45,48,53-55,63-64H,3-5,7-14,18-22,25-26,33-37,40-42H2,1-2H3,(H,59,65)/t45-,48+,53-,54+,55+,58+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@H]([C@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)O)O)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O
InChI: InChI=1S/C52H98N2O18/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-23-26-29-41(60)53-36(44(62)37(57)28-25-22-19-17-16-18-21-24-27-35(2)3)33-69-50-48(66)47(65)46(64)40(71-50)34-70-52(51(67)68)30-38(58)43(54-42(61)32-56)49(72-52)45(63)39(59)31-55/h35-40,43-50,55-59,62-66H,4-34H2,1-3H3,(H,53,60)(H,54,61)(H,67,68)/t36-,37+,38-,39-,40+,43+,44-,45-,46+,47-,48+,49+,50+,52+/m0/s1
SMILES: CCOC(=O)CNC(=O)NC1=CC=CC(=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN(C)CC=C
InChI: InChI=1S/C28H37N3O6/c1-5-14-31(4)17-24-19(3)26(21-12-10-20(18-32)11-13-21)37-27(36-24)22-8-7-9-23(15-22)30-28(34)29-16-25(33)35-6-2/h5,7-13,15,19,24,26-27,32H,1,6,14,16-18H2,2-4H3,(H2,29,30,34)/t19-,24+,26+,27+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[C@@H](C12C(=CS(=O)(=O)O2)N)CO)N3C=CC(=O)NC3=O
InChI: InChI=1S/C17H27N3O8SSi/c1-16(2,3)30(4,5)27-13-14(20-7-6-12(22)19-15(20)23)26-11(8-21)17(13)10(18)9-29(24,25)28-17/h6-7,9,11,13-14,21H,8,18H2,1-5H3,(H,19,22,23)/t11-,13+,14-,17?/m1/s1
SMILES: C=CCOCC1CCN(CC1)C[C@H]2CN(C[C@@H]2C3=CSC=C3)CC4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C25H32Cl2N2OS/c1-2-10-30-17-19-5-8-28(9-6-19)14-22-15-29(16-24(22)21-7-11-31-18-21)13-20-3-4-23(26)12-25(20)27/h2-4,7,11-12,18-19,22,24H,1,5-6,8-10,13-17H2/t22-,24+/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)O.C[C@@]1(CO[C@@H]([C@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O
InChI: InChI=1S/C19H39N5O7.C14H28O2/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h8-18,24-27H,3-7,20-23H2,1-2H3;2-13H2,1H3,(H,15,16)/t8-,9+,10-,11+,12+,13-,14+,15-,16+,17+,18+,19-;/m0./s1
SMILES: C1CCC(CC1)OC(=S)N[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C13H23NO6S/c15-6-8-9(16)10(17)11(18)12(20-8)14-13(21)19-7-4-2-1-3-5-7/h7-12,15-18H,1-6H2,(H,14,21)/t8-,9+,10+,11+,12-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)CCC4=CC(=O)CC[C@]34[C@H]5CN5
InChI: InChI=1S/C26H43NO2Si/c1-24(2,3)30(5,6)29-23-10-9-20-19-8-7-17-15-18(28)11-14-26(17,22-16-27-22)21(19)12-13-25(20,23)4/h15,19-23,27H,7-14,16H2,1-6H3/t19-,20-,21-,22+,23-,25-,26+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)[C@H](C)OC(=O)C2=C(OC(=N2)C3=CC=CC=C3)C
InChI: InChI=1S/C22H28N2O4/c1-13-9-8-12-18(14(13)2)23-20(25)16(4)28-22(26)19-15(3)27-21(24-19)17-10-6-5-7-11-17/h5-7,10-11,13-14,16,18H,8-9,12H2,1-4H3,(H,23,25)/t13-,14-,16-,18-/m0/s1
SMILES: CC1([C@]2([C@@]1(C(=O)NC2=O)C#N)C#N)C3=CC=C(C=C3)OC
InChI: InChI=1S/C15H11N3O3/c1-13(9-3-5-10(21-2)6-4-9)14(7-16)11(19)18-12(20)15(13,14)8-17/h3-6H,1-2H3,(H,18,19,20)/t13?,14-,15+
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CC2=CC(=C(C=C2)C)C
InChI: InChI=1S/C20H29NO3/c1-13-8-9-17(10-15(13)3)11-20(23)24-12-19(22)21-18-7-5-6-14(2)16(18)4/h8-10,14,16,18H,5-7,11-12H2,1-4H3,(H,21,22)/t14-,16+,18-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H21FN2O11/c1-7(22)28-6-12-13(29-8(2)23)14(30-9(3)24)15(31-10(4)25)17(32-12)21-5-11(19)16(26)20-18(21)27/h5,12-15,17H,6H2,1-4H3,(H,20,26,27)/t12-,13-,14+,15-,17-/m1/s1
SMILES: C[C@@H](C(=O)NCC1=CC=CC=C1Cl)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H19ClN2O3/c1-11(16(22)20-10-12-6-2-5-9-15(12)19)21-17(23)13-7-3-4-8-14(13)18(21)24/h2-6,9,11,13-14H,7-8,10H2,1H3,(H,20,22)/t11-,13-,14-/m0/s1
SMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C(=O)O)C=C4)C
InChI: InChI=1S/C21H22N4O5S/c1-11-9-12(2)23-21(22-11)25-31(29,30)16-7-5-15(6-8-16)24-19(26)17-13-3-4-14(10-13)18(17)20(27)28/h3-9,13-14,17-18H,10H2,1-2H3,(H,24,26)(H,27,28)(H,22,23,25)/t13-,14+,17-,18-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=C(C(=O)NC2=O)/C(=C\I)/I)CO
InChI: InChI=1S/C15H16I2N2O8/c1-6(21)25-11-10(5-20)27-14(12(11)26-7(2)22)19-4-8(9(17)3-16)13(23)18-15(19)24/h3-4,10-12,14,20H,5H2,1-2H3,(H,18,23,24)/b9-3+/t10-,11-,12-,14-/m1/s1
SMILES: CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C[C@@H]4[C@](O4)(C[C@H](/C=C/C=C/5\CO[C@H]6[C@@]5([C@@H](C=C(C6=O)C)C(=O)O3)O[Si](C)(C)C)C)C)C
InChI: InChI=1S/C35H52O8Si/c1-9-28-22(3)13-14-34(41-28)19-26-16-25(40-34)17-29-33(5,42-29)18-21(2)11-10-12-24-20-38-31-30(36)23(4)15-27(32(37)39-26)35(24,31)43-44(6,7)8/h10-12,15,21-22,25-29,31H,9,13-14,16-20H2,1-8H3/b11-10+,24-12+/t21-,22-,25-,26-,27-,28+,29+,31+,33+,34+,35+/m0/s1
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H23N3O6/c1-12(19(27)23-15-9-7-14(8-10-15)22-13(2)25)30-18(26)11-24-20(28)16-5-3-4-6-17(16)21(24)29/h3-4,7-10,12,16-17H,5-6,11H2,1-2H3,(H,22,25)(H,23,27)/t12-,16-,17+/m0/s1
SMILES: COC(=O)CCC/C=C\C[C@H]1[C@@H](C[C@H]([C@@H]1C=O)OC2CCCCO2)Cl
InChI: InChI=1S/C19H29ClO5/c1-23-18(22)9-5-3-2-4-8-14-15(13-21)17(12-16(14)20)25-19-10-6-7-11-24-19/h2,4,13-17,19H,3,5-12H2,1H3/b4-2-/t14-,15-,16-,17-,19?/m1/s1
SMILES: C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\C3=CC=CC=C3Cl
InChI: InChI=1S/C16H19ClN2O/c1-16-9-5-4-7-12(16)14(16)15(20)19-18-10-11-6-2-3-8-13(11)17/h2-3,6,8,10,12,14H,4-5,7,9H2,1H3,(H,19,20)/b18-10-/t12-,14-,16-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1CN3C4=CC=CC5=C(C=CC(=C54)S3(=O)=O)CCN6C=C[N+](=C6)C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C27H28N4O6S/c1-15-19(25(27(34)35)31-24(15)22(16(2)32)26(31)33)13-30-20-6-4-5-18-17(9-10-29-12-11-28(3)14-29)7-8-21(23(18)20)38(30,36)37/h4-8,11-12,14-16,22,24,32H,9-10,13H2,1-3H3/p+1/t15-,16+,22+,24+/m0/s1
SMILES: COC1=CC=CC=C1CNC(=O)CCCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H24N2O4/c1-26-17-10-5-2-7-14(17)13-21-18(23)11-6-12-22-19(24)15-8-3-4-9-16(15)20(22)25/h2-5,7,10,15-16H,6,8-9,11-13H2,1H3,(H,21,23)/t15-,16+
SMILES: C[C@@H]1C/C=C/[C@@H]([C@@H](C[C@@H](C([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CCO)C)O
InChI: InChI=1S/C40H69NO15/c1-21(2)17-30(45)54-38-25(6)51-32(20-40(38,8)48)55-35-24(5)52-39(34(47)33(35)41(9)10)56-36-27(15-16-42)18-22(3)28(44)14-12-13-23(4)50-31(46)19-29(37(36)49-11)53-26(7)43/h12,14,21-25,27-29,32-39,42,44,47-48H,13,15-20H2,1-11H3/b14-12+/t22-,23-,24-,25+,27+,28+,29-,32+,33-,34-,35-,36?,37+,38+,39+,40-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCNC(=O)[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O
InChI: InChI=1S/C30H59NO11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-29(40)27(39)28(23(35)21(34)19-32)42-30-26(38)25(37)24(36)22(20-33)41-30/h21-28,30,32-39H,2-20H2,1H3,(H,31,40)/t21-,22+,23+,24-,25-,26+,27-,28-,30-/m0/s1
SMILES: CCOC(=O)C(=C1N([C@H]2[C@H](C(=N)S1)C(=O)OC3=CC=CC=C23)C4=CC=CC=C4)C(=O)C
InChI: InChI=1S/C23H20N2O5S/c1-3-29-22(27)17(13(2)26)21-25(14-9-5-4-6-10-14)19-15-11-7-8-12-16(15)30-23(28)18(19)20(24)31-21/h4-12,18-19,24H,3H2,1-2H3/t18-,19-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C=CC7=CC=CC=C76)O)C(=O)N(C5=O)C8=CC=C(C=C8)C=C)C(=O)N(C3=O)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C45H35Cl2N3O6/c1-3-24-8-14-28(15-9-24)49-41(52)32-19-18-31-33(38(32)43(49)54)23-34-42(53)50(48-36-20-13-27(46)22-35(36)47)44(55)45(34,26-11-16-29(56-2)17-12-26)40(31)39-30-7-5-4-6-25(30)10-21-37(39)51/h3-18,20-22,32-34,38,40,48,51H,1,19,23H2,2H3/t32-,33+,34-,38-,40+,45+/m0/s1
SMILES: CC(C)[NH+]1CCC(CC1)N2C[C@@]34C=C[C@@H](O3)[C@H]([C@H]4C2=O)C(=O)[O-]
InChI: InChI=1S/C17H24N2O4/c1-10(2)18-7-4-11(5-8-18)19-9-17-6-3-12(23-17)13(16(21)22)14(17)15(19)20/h3,6,10-14H,4-5,7-9H2,1-2H3,(H,21,22)/t12-,13-,14+,17-/m1/s1
SMILES: C[C@H](CCCC(C)(C(F)(F)F)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
InChI: InChI=1S/C27H41F3O2/c1-18-9-12-22(31)17-21(18)11-10-20-8-6-15-25(3)23(13-14-24(20)25)19(2)7-5-16-26(4,32)27(28,29)30/h10-11,19,22-24,31-32H,1,5-9,12-17H2,2-4H3/b20-10+,21-11-/t19-,22+,23-,24+,25-,26?/m1/s1
SMILES: CO/N=C/CCC[C@H]1CCC[C@H]1NN(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C22H29N3O/c1-26-23-18-9-8-11-19-12-10-17-22(19)24-25(20-13-4-2-5-14-20)21-15-6-3-7-16-21/h2-7,13-16,18-19,22,24H,8-12,17H2,1H3/b23-18+/t19-,22+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C28H28O7/c1-30-28-25(31-17-19-11-5-2-6-12-19)24(34-26(29)20-13-7-3-8-14-20)23-22(33-28)18-32-27(35-23)21-15-9-4-10-16-21/h2-16,22-25,27-28H,17-18H2,1H3/t22-,23-,24+,25-,27-,28+/m1/s1
SMILES: COC(=O)[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]2C(=O)OC)N=[N+]=[N-])O)O)O)O)O
InChI: InChI=1S/C14H21N3O12/c1-25-12(23)9-4(19)3(18)7(22)14(29-9)28-8-5(20)6(21)11(16-17-15)27-10(8)13(24)26-2/h3-11,14,18-22H,1-2H3/t3-,4+,5+,6+,7+,8-,9-,10-,11+,14+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C4CC(=O)CC(=O)CCC3(O4)C)C
InChI: InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-13-26(21,22)4)27(5)14-11-19(28)15-20(29)16-24(25)30-27/h17-18,21-25H,6-16H2,1-5H3/t18-,21-,22+,23+,24?,25+,26-,27?/m1/s1
SMILES: C1C[C@]23C=CC(=O)[C@@H]([C@H]2O[C@](C1)(O3)C(F)(F)F)O
InChI: InChI=1S/C11H11F3O4/c12-11(13,14)10-4-1-3-9(18-10)5-2-6(15)7(16)8(9)17-10/h2,5,7-8,16H,1,3-4H2/t7-,8+,9-,10+/m0/s1
SMILES: CC1=C(C[C@@H]([C@@H](C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)CC(C)C)C(=O)O)C
InChI: InChI=1S/C23H28N2O3S/c1-13(2)9-16-5-7-17(8-6-16)20-12-29-23(24-20)25-21(26)18-10-14(3)15(4)11-19(18)22(27)28/h5-8,12-13,18-19H,9-11H2,1-4H3,(H,27,28)(H,24,25,26)/t18-,19+/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)CCN=C(N)N)OCCC2=CC=CC=C2)COCC3=CC4=CC=CC=C4C=C3)O
InChI: InChI=1S/C30H38N4O6/c1-37-28-26(34-25(35)13-15-33-30(31)32)29(39-16-14-20-7-3-2-4-8-20)40-24(27(28)36)19-38-18-21-11-12-22-9-5-6-10-23(22)17-21/h2-12,17,24,26-29,36H,13-16,18-19H2,1H3,(H,34,35)(H4,31,32,33)/t24-,26-,27-,28-,29?/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C(=C6)I)O)OC)C)C7=CC(=C(C=C7)F)Cl)Cl
InChI: InChI=1S/C35H28Cl2FIN2O6/c1-15-4-5-17(12-23(15)36)40-31(43)20-8-7-19-21(28(20)33(40)45)14-22-32(44)41(18-6-9-25(38)24(37)13-18)34(46)35(22,2)29(19)16-10-26(39)30(42)27(11-16)47-3/h4-7,9-13,20-22,28-29,42H,8,14H2,1-3H3/t20-,21+,22-,28-,29-,35+/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O
InChI: InChI=1S/C17H17N3O6/c21-15-11-3-1-2-4-12(11)16(22)19(15)8-7-18-14-6-5-10(20(25)26)9-13(14)17(23)24/h1-2,5-6,9,11-12,18H,3-4,7-8H2,(H,23,24)/t11-,12-/m1/s1
SMILES: CC1=C(C2=CC=CC=C2N1)[C@H]3[C@@H](C3(C)C)CCNC(=O)CCl
InChI: InChI=1S/C18H23ClN2O/c1-11-16(12-6-4-5-7-14(12)21-11)17-13(18(17,2)3)8-9-20-15(22)10-19/h4-7,13,17,21H,8-10H2,1-3H3,(H,20,22)/t13-,17+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)[O-]
InChI: InChI=1S/C18H23FN2O5S/c19-13-5-7-14(8-6-13)27(25,26)21-11-9-20(10-12-21)17(22)15-3-1-2-4-16(15)18(23)24/h5-8,15-16H,1-4,9-12H2,(H,23,24)/p-1/t15-,16-/m1/s1
SMILES: CC1=C2CCCC(=O)C2=C(C=C1)OC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C22H25NO5/c1-13-9-10-18(20-14(13)7-4-8-17(20)24)28-19(25)11-12-23-21(26)15-5-2-3-6-16(15)22(23)27/h9-10,15-16H,2-8,11-12H2,1H3/t15-,16-/m0/s1
SMILES: CSC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC[C@@H]3[C@H]2CCCC3)[N+](=O)[O-]
InChI: InChI=1S/C19H24N2O5S/c1-27-17-9-8-14(11-16(17)21(24)25)19(23)26-12-18(22)20-10-4-6-13-5-2-3-7-15(13)20/h8-9,11,13,15H,2-7,10,12H2,1H3/t13-,15-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@H](C4)NC)C)C
InChI: InChI=1S/C28H49N/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26,29H,7-9,11-18H2,1-6H3/t20-,22-,23?,24-,25?,26?,27+,28-/m1/s1
SMILES: COC1=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=CC=C6Cl
InChI: InChI=1S/C27H18ClNO6/c1-34-15-12-10-14(11-13-15)29-25(32)20-21(26(29)33)27(35-22(20)18-8-4-5-9-19(18)28)23(30)16-6-2-3-7-17(16)24(27)31/h2-13,20-22H,1H3/t20-,21-,22+/m0/s1