EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NCC2CC2)C(C)C)CCCO
InChI: InChI=1S/C18H31NO4/c1-4-22-18-14(6-5-9-20)15(12(2)3)10-16(23-18)17(21)19-11-13-7-8-13/h10,12-15,18,20H,4-9,11H2,1-3H3,(H,19,21)/t14-,15+,18+/m1/s1
SMILES: CCCCCCCCCCCCC[C@H]1[C@@H]([C@H](C(=O)O1)C)C(=O)N2[C@@H](COC2=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C35H47NO5/c1-3-4-5-6-7-8-9-10-11-12-19-24-30-31(26(2)34(38)41-30)33(37)36-29(25-40-35(36)39)32(27-20-15-13-16-21-27)28-22-17-14-18-23-28/h13-18,20-23,26,29-32H,3-12,19,24-25H2,1-2H3/t26-,29+,30+,31-/m1/s1
SMILES: CCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O)O.CCCC[N+](CCCC)(CCCC)CCCC
InChI: InChI=1S/C17H28N3O10P.C16H36N/c1-2-3-4-16(23)27-8-11(21)9-28-31(25,26)29-10-13-12(22)7-15(30-13)20-6-5-14(18)19-17(20)24;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-6,11-13,15,21-22H,2-4,7-10H2,1H3,(H,25,26)(H2,18,19,24);5-16H2,1-4H3/q;+1/p-1/t11-,12+,13-,15-;/m1./s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H26N2O6S2/c1-18(32)36-16-21-17-39-28-24(30-23(33)15-22-13-8-14-38-22)27(34)31(28)25(21)29(35)37-26(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,24,26,28H,15-17H2,1H3,(H,30,33)/t24-,28-/m1/s1
SMILES: CC(C1=CC2=C(C=C1)C(=O)[C@@H]3CCCC[C@H]3CS2)C(=O)OCC(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H26O4S/c1-16(25(28)29-14-22(26)17-7-3-2-4-8-17)18-11-12-21-23(13-18)30-15-19-9-5-6-10-20(19)24(21)27/h2-4,7-8,11-13,16,19-20H,5-6,9-10,14-15H2,1H3/t16?,19-,20+/m0/s1
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4=CC(=CC=C4)F)O
InChI: InChI=1S/C28H39FN7O17P3S/c1-28(2,22(39)25(40)32-7-6-18(37)31-8-9-57-27(41)15-4-3-5-16(29)10-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-5,10,13-14,17,20-22,26,38-39H,6-9,11-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22?,26-/m1/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)C(CC(=O)[C@H](C)[C@H](C[C@H]([C@@H]([C@@H](C(C)C)O)OC)OCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC)O)C)O[C@H]1CC[C@H](C)C5(SCCCS5)C
InChI: InChI=1S/C51H80O9S2/c1-33(2)47(54)49(56-10)46(58-31-39-15-12-11-13-16-39)30-45(57-32-40-18-20-41(55-9)21-19-40)37(6)42(52)29-43(53)38(7)48-35(4)24-26-51(60-48)25-23-34(3)44(59-51)22-17-36(5)50(8)61-27-14-28-62-50/h11-13,15-16,18-21,33-38,43-49,53-54H,14,17,22-32H2,1-10H3/t34-,35+,36+,37+,38-,43?,44+,45+,46-,47-,48-,49+,51-/m1/s1
SMILES: C[C@@H](C1=C(C=CC(=C1)OC)OC)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H28N2O5/c1-13(17-12-14(27-2)8-9-18(17)28-3)22-19(24)10-11-23-20(25)15-6-4-5-7-16(15)21(23)26/h8-9,12-13,15-16H,4-7,10-11H2,1-3H3,(H,22,24)/t13-,15-,16-/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)N[C@@H]4CCCCC4=O)C
InChI: InChI=1S/C17H26N2O4S/c1-16(2)11-7-8-17(16)10-24(22,23)19(14(17)9-11)15(21)18-12-5-3-4-6-13(12)20/h11-12,14H,3-10H2,1-2H3,(H,18,21)/t11-,12-,14-,17-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](C2=C(C(=O)N1)NC3=C2C=C(C=C3)Br)COC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C23H21BrN2O6/c1-2-30-22(28)19-16(12-32-23(29)31-11-13-6-4-3-5-7-13)18-15-10-14(24)8-9-17(15)25-20(18)21(27)26-19/h3-10,16,19,25H,2,11-12H2,1H3,(H,26,27)/t16-,19+/m1/s1
SMILES: C1=CC(=CC=C1C(=O)OC[C@H]2[C@@H](C2(Cl)Cl)COC(=O)C3=CC=C(C=C3)F)F
InChI: InChI=1S/C19H14Cl2F2O4/c20-19(21)15(9-26-17(24)11-1-5-13(22)6-2-11)16(19)10-27-18(25)12-3-7-14(23)8-4-12/h1-8,15-16H,9-10H2/t15-,16-/m0/s1
SMILES: CCC1=CC=C(C=C1)[C@H]2[C@H]3C(=NC4=CC=CC=C4N2)CC(CC3=O)(C)C
InChI: InChI=1S/C23H26N2O/c1-4-15-9-11-16(12-10-15)22-21-19(13-23(2,3)14-20(21)26)24-17-7-5-6-8-18(17)25-22/h5-12,21-22,25H,4,13-14H2,1-3H3/t21-,22-/m0/s1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC=C(C=C2)C3([C@H]4[C@@H]3CN(C4)C5=CC=CC=N5)C#N
InChI: InChI=1S/C23H23N5O3/c1-15(29)26-10-18-11-28(22(30)31-18)17-7-5-16(6-8-17)23(14-24)19-12-27(13-20(19)23)21-4-2-3-9-25-21/h2-9,18-20H,10-13H2,1H3,(H,26,29)/t18-,19-,20+,23?/m0/s1
SMILES: C1CCC2(CC1)[C@@H]3CCCC[C@@]3([C@@H]4CCCC[C@@]4(O2)O)O
InChI: InChI=1S/C18H30O3/c19-17-12-6-2-8-14(17)16(10-4-1-5-11-16)21-18(20)13-7-3-9-15(17)18/h14-15,19-20H,1-13H2/t14-,15-,17+,18-/m0/s1
SMILES: C[C@@]12[C@H](C(=O)C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)OC
InChI: InChI=1S/C27H21N3O4/c1-27-25(33-2)18(31)11-19(34-27)29-16-9-5-3-7-13(16)21-22-15(12-28-26(22)32)20-14-8-4-6-10-17(14)30(27)24(20)23(21)29/h3-10,19,25H,11-12H2,1-2H3,(H,28,32)/t19-,25+,27+/m1/s1
SMILES: CCOC1=CC=C(C=C1)C2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H26N4O8/c1-5-32-17-8-6-16(7-9-17)19-20-23(26-11-25-19)28(12-27-20)24-22(35-15(4)31)21(34-14(3)30)18(36-24)10-33-13(2)29/h6-9,11-12,18,21-22,24H,5,10H2,1-4H3/t18-,21-,22-,24-/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)N4CCCCC4)N=C(S3)NC(=O)C5=CC=C(C=C5)OC)(C)CO)O
InChI: InChI=1S/C29H39N3O5S/c1-28-12-11-23(34)29(2,17-33)22(28)16-21-25(20(28)15-24(35)32-13-5-4-6-14-32)30-27(38-21)31-26(36)18-7-9-19(37-3)10-8-18/h7-10,20,22-23,33-34H,4-6,11-17H2,1-3H3,(H,30,31,36)/t20-,22+,23-,28+,29+/m1/s1
SMILES: CO[C@@]12[C@@H](C3=C(N1C[C@H]4[C@@H]2N4)C(=O)C(=C(C3=O)N)C=NC5=CC(=CC=C5)Br)COC(=O)N
InChI: InChI=1S/C21H20BrN5O5/c1-31-21-12(8-32-20(24)30)14-16(27(21)7-13-19(21)26-13)17(28)11(15(23)18(14)29)6-25-10-4-2-3-9(22)5-10/h2-6,12-13,19,26H,7-8,23H2,1H3,(H2,24,30)/t12-,13+,19+,21-/m1/s1
SMILES: CC1=C(C(=CC=C1)C)N(C2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)[C@@H]5CC=CC[C@@H]5C4=O
InChI: InChI=1S/C25H23N3O3S/c1-15-8-7-9-16(2)22(15)28(25-26-19-12-5-6-13-20(19)32-25)21(29)14-27-23(30)17-10-3-4-11-18(17)24(27)31/h3-9,12-13,17-18H,10-11,14H2,1-2H3/t17-,18+
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C
InChI: InChI=1S/C21H27N3O3/c1-14-5-4-6-19(16(14)3)23-20(25)13-27-21(26)17-7-9-18(10-8-17)24-15(2)11-12-22-24/h7-12,14,16,19H,4-6,13H2,1-3H3,(H,23,25)/t14-,16-,19+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C2=CC=NC3=CC=CC=C23
InChI: InChI=1S/C24H25NO11/c1-12(26)32-20-19(11-31-23(30)17-9-10-25-18-8-6-5-7-16(17)18)36-24(35-15(4)29)22(34-14(3)28)21(20)33-13(2)27/h5-10,19-22,24H,11H2,1-4H3/t19-,20-,21+,22-,24+/m1/s1
SMILES: C1C=C2[C@H]([C@@H]3[C@H]1C(=O)N(C3=O)C4=CC=CC=C4)N([C@H](CC2=O)CCCOCC5=CC=CC=C5)C(=O)OC6=CC=CC=C6
InChI: InChI=1S/C34H32N2O6/c37-29-21-25(15-10-20-41-22-23-11-4-1-5-12-23)35(34(40)42-26-16-8-3-9-17-26)31-27(29)18-19-28-30(31)33(39)36(32(28)38)24-13-6-2-7-14-24/h1-9,11-14,16-18,25,28,30-31H,10,15,19-22H2/t25-,28-,30-,31+/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4C)C5=CC=CS5
InChI: InChI=1S/C25H22N2O5S/c1-3-31-25(30)16-10-12-17(13-11-16)26-23(28)20-21(19-9-6-14-33-19)27(32-22(20)24(26)29)18-8-5-4-7-15(18)2/h4-14,20-22H,3H2,1-2H3/t20-,21-,22+/m1/s1
SMILES: CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[C@H]4[C@@H](C4Br)C
InChI: InChI=1S/C27H26BrO3P/c1-3-31-27(30)26(25(29)23-19(2)24(23)28)32(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19,23-24H,3H2,1-2H3/t19-,23-,24?/m0/s1
SMILES: CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)C=NCC3=CC=C(C=C3)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C31H50N4O6Si2/c1-21(36)33-25-17-18-35(29(37)34-25)28-27(41-43(11,12)31(5,6)7)26(40-42(9,10)30(2,3)4)24(39-28)20-32-19-22-13-15-23(38-8)16-14-22/h13-18,20,24,26-28H,19H2,1-12H3,(H,33,34,36,37)/t24-,26-,27-,28-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=C(C=C(C=C6)OC)OC)C(=O)NC7=CC=CC=C7)O)C(=C5)C(=O)C8=CC(=CC=C8)C(F)(F)F)O)C
InChI: InChI=1S/C46H51F3N2O6/c1-41-18-15-33(52)25-43(41)21-22-45(35(26-43)39(53)29-9-8-10-31(23-29)46(47,48)49)37(41)16-19-42(2)38(45)17-20-44(42,55)28-51(40(54)50-32-11-6-5-7-12-32)27-30-13-14-34(56-3)24-36(30)57-4/h5-14,21-24,26,33,37-38,52,55H,15-20,25,27-28H2,1-4H3,(H,50,54)/t33?,37-,38-,41-,42+,43+,44-,45-/m1/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NC(=O)C3=CC=C(C=C3)CN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])/C)OC)OC(=O)N)\C)C)O)OC
InChI: InChI=1S/C46H56N6O11/c1-27-22-35-40(49-45(57)32-12-10-31(11-13-32)26-50-18-20-51(21-19-50)33-14-16-34(17-15-33)52(59)60)37(53)25-36(42(35)55)48-44(56)28(2)8-7-9-38(61-5)43(63-46(47)58)30(4)24-29(3)41(54)39(23-27)62-6/h7-17,24-25,27,29,38-39,41,43,54H,18-23,26H2,1-6H3,(H2,47,58)(H,48,56)(H,49,57)/b9-7-,28-8+,30-24+/t27-,29+,38+,39+,41-,43+/m1/s1
SMILES: CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H](C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)NCC4=CC=C(C=C4)OC)O)NC(=O)/C=C/C5=C(C=C(C=C5)OC)O
InChI: InChI=1S/C44H52N4O8/c1-44(2,3)41(47-37(51)22-18-29-17-21-32(56-5)25-35(29)49)43(54)46-34(23-27-11-7-6-8-12-27)40(52)39(45-26-28-15-19-31(55-4)20-16-28)42(53)48-38-33-14-10-9-13-30(33)24-36(38)50/h6-22,25,34,36,38-41,45,49-50,52H,23-24,26H2,1-5H3,(H,46,54)(H,47,51)(H,48,53)/b22-18+/t34-,36+,38-,39+,40+,41+/m0/s1
SMILES: CC[C@@H]1[C@H](C2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)C(F)(F)F)C(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O
InChI: InChI=1S/C25H24F9NO3/c1-5-17-19(20(36)12-8-14(24(29,30)31)10-15(9-12)25(32,33)34)16-7-6-13(23(26,27)28)11-18(16)35(17)21(37)38-22(2,3)4/h6-11,17,19-20,36H,5H2,1-4H3/t17-,19+,20?/m1/s1
SMILES: C[C@@]12CCC3=C(C1[C@H](C[C@]4(C2CC[C@@H]4O)C)C5=CC=C(C=C5)OCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F)C=CC(=C3)O
InChI: InChI=1S/C35H45F5O5S/c1-32-17-15-24-21-25(41)9-12-27(24)31(32)28(22-33(2)29(32)13-14-30(33)42)23-7-10-26(11-8-23)45-18-4-3-5-19-46(43,44)20-6-16-34(36,37)35(38,39)40/h7-12,21,28-31,41-42H,3-6,13-20,22H2,1-2H3/t28-,29?,30+,31?,32+,33+/m1/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@H]1[C@H]([C@H](O[C@H](O1)C2=CC=C(C=C2)CNC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C4=CC=C(C=C4)CO)C
InChI: InChI=1S/C43H64F3N3O5/c1-4-6-8-10-12-14-26-48(27-15-13-11-9-7-5-2)30-38-32(3)39(35-22-20-34(31-50)21-23-35)54-41(53-38)36-24-18-33(19-25-36)29-47-40(51)37-17-16-28-49(37)42(52)43(44,45)46/h18-25,32,37-39,41,50H,4-17,26-31H2,1-3H3,(H,47,51)/t32-,37+,38+,39+,41+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)S)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C15H17NO5S/c1-8(17)16-11-12(13(22)10-7-19-15(11)20-10)21-14(18)9-5-3-2-4-6-9/h2-6,10-13,15,22H,7H2,1H3,(H,16,17)/t10-,11-,12-,13-,15-/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)CCCCCNC(=O)C)CN4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6
InChI: InChI=1S/C40H51N5O6/c1-28-35(25-44-22-19-40(20-23-44)39(49)42-27-45(40)34-12-5-3-6-13-34)50-38(51-37(28)31-17-15-30(26-46)16-18-31)32-10-9-11-33(24-32)43-36(48)14-7-4-8-21-41-29(2)47/h3,5-6,9-13,15-18,24,28,35,37-38,46H,4,7-8,14,19-23,25-27H2,1-2H3,(H,41,47)(H,42,49)(H,43,48)/t28-,35+,37+,38+/m0/s1
SMILES: CON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCCSC5=CC=CC=C5)CCCCO)CCCCO)OCC=C)N(CCOCCO)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C47H59N3O12S/c1-3-25-60-47-43(49(21-26-58-27-24-53)46(54)61-35-17-15-34(16-18-35)50(55)56)32-41(48-57-2)39-30-33(11-7-9-22-51)38(14-8-10-23-52)44(45(39)47)40-31-36(19-20-42(40)62-47)59-28-29-63-37-12-5-4-6-13-37/h3-6,12-13,15-20,30-31,33,38,43-45,51-53H,1,7-11,14,21-29,32H2,2H3/t33-,38+,43-,44+,45+,47+/m0/s1
SMILES: CC1=CC=CC=C1[C@@H]2[C@H]3C(=O)C[C@H](C=C3NC4=NC=NN24)C5=C(C=C(C=C5)OC)OC
InChI: InChI=1S/C24H24N4O3/c1-14-6-4-5-7-17(14)23-22-19(27-24-25-13-26-28(23)24)10-15(11-20(22)29)18-9-8-16(30-2)12-21(18)31-3/h4-10,12-13,15,22-23H,11H2,1-3H3,(H,25,26,27)/t15-,22+,23+/m0/s1
SMILES: CC1(CCCC23[C@@H]1[C@@H]([C@@](C45[C@H]2CCC(C4O)C(=C)C5=O)(OC3)O)O)C
InChI: InChI=1S/C20H28O5/c1-10-11-5-6-12-18-8-4-7-17(2,3)13(18)16(23)20(24,25-9-18)19(12,14(10)21)15(11)22/h11-13,15-16,22-24H,1,4-9H2,2-3H3/t11?,12-,13+,15?,16-,18?,19?,20-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)N(C)C
InChI: InChI=1S/C21H21N3O3/c1-13-10-18(13)19-9-8-17(27-19)11-15(12-22)20(25)23-16-6-4-14(5-7-16)21(26)24(2)3/h4-9,11,13,18H,10H2,1-3H3,(H,23,25)/b15-11+/t13-,18+/m1/s1
SMILES: C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@](CO4)(CO)O)O)OC(=O)CCC5=CC(=C(C=C5)O)O)O)(CO)O
InChI: InChI=1S/C33H44O19/c34-12-32(44)14-48-30(27(32)42)47-11-22-25(51-23(40)6-3-16-1-4-18(36)20(38)9-16)26(52-31-28(43)33(45,13-35)15-49-31)24(41)29(50-22)46-8-7-17-2-5-19(37)21(39)10-17/h1-2,4-5,9-10,22,24-31,34-39,41-45H,3,6-8,11-15H2/t22-,24-,25-,26-,27+,28+,29-,30-,31+,32-,33-/m1/s1
SMILES: CC#CCC[C@H]1[C@@H]2CC[C@@H]3[C@@]([C@H]2CCC1=O)(CCC[C@@]3(C)C(=O)OC)C
InChI: InChI=1S/C23H34O3/c1-5-6-7-9-17-16-10-13-20-22(2,18(16)11-12-19(17)24)14-8-15-23(20,3)21(25)26-4/h16-18,20H,7-15H2,1-4H3/t16-,17-,18-,20+,22+,23+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@]2(CCC[C@H]1N2C(=O)C3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C22H33NO4Si/c1-21(2,3)28(5,6)27-18-15-22(20(25)26-4)14-10-13-17(18)23(22)19(24)16-11-8-7-9-12-16/h7-9,11-12,17-18H,10,13-15H2,1-6H3/t17-,18-,22+/m1/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CN=CC=C5
InChI: InChI=1S/C23H19N3O3/c27-22-19-20(17-10-7-13-24-14-17)26(18-11-5-2-6-12-18)29-21(19)23(28)25(22)15-16-8-3-1-4-9-16/h1-14,19-21H,15H2/t19-,20+,21-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@H](C2(C#N)C#N)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H11ClN2O/c19-14-8-6-12(7-9-14)15-16(18(15,10-20)11-21)17(22)13-4-2-1-3-5-13/h1-9,15-16H/t15-,16-/m1/s1
SMILES: C[C@@]1(CC[C@@H]2[C@@H](C1)CC3=C(C2=O)C(=C4C(=CC(=C(C4=C3OC)OC)Br)OC)OC)OC
InChI: InChI=1S/C24H29BrO6/c1-24(31-6)8-7-13-12(11-24)9-14-17(20(13)26)23(30-5)18-16(27-2)10-15(25)22(29-4)19(18)21(14)28-3/h10,12-13H,7-9,11H2,1-6H3/t12-,13-,24+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCC[NH+]2CN3C(=S)N(C(=N3)C4=CC=NC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C24H29N5S/c30-24-28(17-19-7-2-1-3-8-19)23(21-12-14-25-15-13-21)26-29(24)18-27-16-6-10-20-9-4-5-11-22(20)27/h1-3,7-8,12-15,20,22H,4-6,9-11,16-18H2/p+1/t20-,22-/m0/s1
SMILES: CCCC[C@]1(C(=O)[C@@]2(CC[C@H]([C@]1(O2)C)OCC3=CC=CC=C3)C)O
InChI: InChI=1S/C20H28O4/c1-4-5-12-20(22)17(21)18(2)13-11-16(19(20,3)24-18)23-14-15-9-7-6-8-10-15/h6-10,16,22H,4-5,11-14H2,1-3H3/t16-,18+,19-,20-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC=C(C4)CC(=O)[O-])C
InChI: InChI=1S/C21H32O3/c1-20-9-7-13(12-19(23)24)11-14(20)3-4-15-16-5-6-18(22)21(16,2)10-8-17(15)20/h7,14-18,22H,3-6,8-12H2,1-2H3,(H,23,24)/p-1/t14-,15+,16-,17+,18-,20-,21-/m0/s1
SMILES: C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C24H42O3/c1-15(5-4-12-25)18-6-7-19-17-14-22(27)21-13-16(26)8-10-24(21,3)20(17)9-11-23(18,19)2/h15-22,25-27H,4-14H2,1-3H3/t15-,16-,17+,18-,19+,20+,21+,22+,23-,24-/m1/s1
SMILES: CO[C@@H]1CC[C@@H]([C@H](O1)CCC(=C)SC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C23H28O3S/c1-18(27-20-11-7-4-8-12-20)13-14-22-21(15-16-23(24-2)26-22)25-17-19-9-5-3-6-10-19/h3-12,21-23H,1,13-17H2,2H3/t21-,22+,23-/m0/s1
SMILES: C[C@@H]1[C@@H]([NH2+][C@@H]([C@@H](C1=NO)C)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C23H30N2O5/c1-13-21(25-26)14(2)23(16-8-10-18(28-4)20(12-16)30-6)24-22(13)15-7-9-17(27-3)19(11-15)29-5/h7-14,22-24,26H,1-6H3/p+1/t13-,14+,22+,23-
SMILES: COC1=CC=CC(=C1)[C@]23CCN(C[C@@H]2CC(=O)C(=O)C3)C(=O)OC=C
InChI: InChI=1S/C19H21NO5/c1-3-25-18(23)20-8-7-19(13-5-4-6-15(9-13)24-2)11-17(22)16(21)10-14(19)12-20/h3-6,9,14H,1,7-8,10-12H2,2H3/t14-,19+/m0/s1
SMILES: C[C@]12[C@H](C=CC(=O)N1[C@@H](CO2)C3=CC=CC=C3)COCC4=CC=CC=C4
InChI: InChI=1S/C22H23NO3/c1-22-19(15-25-14-17-8-4-2-5-9-17)12-13-21(24)23(22)20(16-26-22)18-10-6-3-7-11-18/h2-13,19-20H,14-16H2,1H3/t19-,20+,22+/m1/s1
SMILES: CC(=O)[C@@H]1CC[C@]2(C1C3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO
InChI: InChI=1S/C29H48O3/c1-18(31)19-9-14-29(17-30)16-15-27(5)20(24(19)29)7-8-22-26(4)12-11-23(32)25(2,3)21(26)10-13-28(22,27)6/h19-24,30,32H,7-17H2,1-6H3/t19-,20?,21-,22+,23-,24?,26-,27+,28+,29+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O
InChI: InChI=1S/C54H105NO12/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-46(57)55-43(44(56)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)40-64-54-52(63)50(61)48(59)45(67-54)41-65-53-51(62)49(60)47(58)42(3)66-53/h42-45,47-54,56,58-63H,4-41H2,1-3H3,(H,55,57)/t42-,43-,44+,45+,47-,48-,49+,50-,51+,52+,53+,54-/m0/s1
SMILES: C1=CC(=C(C=C1/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)O)O)O)O
InChI: InChI=1S/C24H24O12/c25-11-18-21(32)22(33)23(35-19(30)7-3-12-1-5-14(26)16(28)9-12)24(34-18)36-20(31)8-4-13-2-6-15(27)17(29)10-13/h1-10,18,21-29,32-33H,11H2/b7-3+,8-4+/t18-,21-,22+,23-,24+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)C2=CC=C(S2)C3=CC=C(C=C3)F
InChI: InChI=1S/C19H22FN3OS2/c1-12-4-2-3-5-15(12)21-19(25)23-22-18(24)17-11-10-16(26-17)13-6-8-14(20)9-7-13/h6-12,15H,2-5H2,1H3,(H,22,24)(H2,21,23,25)/t12-,15+/m0/s1
SMILES: C[C@@H](C(=O)NC[C@@H]1[C@@H]2[C@H]1[C@H]([C@H](OC2)OCC3=CC=CC=C3)O)NC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C25H30N2O6/c1-16(27-25(30)33-14-18-10-6-3-7-11-18)23(29)26-12-19-20-15-32-24(22(28)21(19)20)31-13-17-8-4-2-5-9-17/h2-11,16,19-22,24,28H,12-15H2,1H3,(H,26,29)(H,27,30)/t16-,19+,20+,21-,22+,24-/m0/s1
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O
InChI: InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC2=CC=C(C=C2)C(=O)OC)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C37H38O9/c1-26(38)44-35-34(43-24-29-16-10-5-11-17-29)33(42-23-28-14-8-4-9-15-28)32(25-41-22-27-12-6-3-7-13-27)46-37(35)45-31-20-18-30(19-21-31)36(39)40-2/h3-21,32-35,37H,22-25H2,1-2H3/t32-,33-,34+,35+,37+/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CN3CCN(CC3)CC4=CC=CC=C4C
InChI: InChI=1S/C22H32N4O2/c1-17-7-3-4-9-19(17)15-24-11-13-25(14-12-24)16-26-20(27)22(23-21(26)28)10-6-5-8-18(22)2/h3-4,7,9,18H,5-6,8,10-16H2,1-2H3,(H,23,28)/t18-,22-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2([C@H]4C[C@@]5(C[C@H]4OC(=O)[C@]5(C)O)C)O)C[C@@H]6[C@]7([C@@]3(C(=O)C=CC7)C)O6
InChI: InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1
SMILES: [H][C@]1([C@H](OC(=O)[C@]1([H])[2H])CO[Si](C)(C)C(C)(C)C)[2H]
InChI: InChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)13-8-9-6-7-10(12)14-9/h9H,6-8H2,1-5H3/t9-/m0/s1/i6D,7D/t6-,7+,9-
SMILES: C1[C@H]([C@H]2CO[C@@H](C1=O)O2)N3C(=S)N(C(=N3)C4=CC(=CC=C4)F)C5=CC=CC=C5
InChI: InChI=1S/C20H16FN3O3S/c21-13-6-4-5-12(9-13)18-22-24(15-10-16(25)19-26-11-17(15)27-19)20(28)23(18)14-7-2-1-3-8-14/h1-9,15,17,19H,10-11H2/t15-,17-,19-/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC7=CC=CC=C7
InChI: InChI=1S/C54H64N2O10/c1-3-26-56(53(60)62-31-30-61-37-39-16-7-5-8-17-39)50-35-48(55-64-38-40-18-9-6-10-19-40)46-33-42(21-11-13-27-57)45(23-12-14-28-58)51-47-34-44(65-43-22-15-20-41(32-43)36-59)24-25-49(47)66-54(50,52(46)51)63-29-4-2/h4-10,15-20,22,24-25,32-34,36,42,45,50-52,57-58H,2-3,11-14,21,23,26-31,35,37-38H2,1H3/t42-,45+,50-,51+,52+,54+/m0/s1
SMILES: CC1=CC[C@@H]2[C@H](C1)C(=O)N(C2=O)C3=NC(=C(S3)C)C(=O)C
InChI: InChI=1S/C15H16N2O3S/c1-7-4-5-10-11(6-7)14(20)17(13(10)19)15-16-12(8(2)18)9(3)21-15/h4,10-11H,5-6H2,1-3H3/t10-,11+/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@@H](C3=CC(=C(C=C3CN2CC4=CC=CC=C4)OC)OC)CC=O)OC
InChI: InChI=1S/C28H31NO5/c1-31-24-11-10-20(14-25(24)32-2)28-22(12-13-30)23-16-27(34-4)26(33-3)15-21(23)18-29(28)17-19-8-6-5-7-9-19/h5-11,13-16,22,28H,12,17-18H2,1-4H3/t22-,28+/m1/s1
SMILES: C[C@H]([C@@]1(CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@]4([C@@]3(CC[C@@H](C4)O)C)C)C)O)O
InChI: InChI=1S/C22H38O3/c1-14(23)22(25)12-8-18-16-6-9-19(2)13-15(24)5-10-20(19,3)17(16)7-11-21(18,22)4/h14-18,23-25H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19+,20-,21+,22-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H](OC(O2)C3=CC=CC=C3)COS(=O)(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C25H26O8S2/c1-18-8-12-21(13-9-18)34(26,27)30-16-23-24(33-25(32-23)20-6-4-3-5-7-20)17-31-35(28,29)22-14-10-19(2)11-15-22/h3-15,23-25H,16-17H2,1-2H3/t23-,24-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H](C=C[C@@H]2[C@@H]1C(=O)C[C@H](C2)COC(=S)SC)C
InChI: InChI=1S/C17H24O4S2/c1-4-20-16(19)14-10(2)5-6-12-7-11(8-13(18)15(12)14)9-21-17(22)23-3/h5-6,10-12,14-15H,4,7-9H2,1-3H3/t10-,11-,12-,14-,15+/m0/s1
SMILES: CC(C)(C)[C@@H]1CC=C2[C@@H](C1)[C@@]3(C4=CC=CC=C4N(C3=O)C)C(=C(C2(C#N)C#N)N)C#N
InChI: InChI=1S/C25H25N5O/c1-23(2,3)15-9-10-16-18(11-15)25(19(12-26)21(29)24(16,13-27)14-28)17-7-5-6-8-20(17)30(4)22(25)31/h5-8,10,15,18H,9,11,29H2,1-4H3/t15-,18-,25+/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H]([C@@H]2[C@H](N(C(=O)N2CC3=CC(=CC=C3)O)CC4=CC(=CC=C4)O)[C@H](CC5=CC=CC=C5)F)F
InChI: InChI=1S/C33H32F2N2O3/c34-29(19-23-9-3-1-4-10-23)31-32(30(35)20-24-11-5-2-6-12-24)37(22-26-14-8-16-28(39)18-26)33(40)36(31)21-25-13-7-15-27(38)17-25/h1-18,29-32,38-39H,19-22H2/t29-,30-,31+,32+/m0/s1
SMILES: CC(=O)[C@]12CC[C@@H]([C@@]1(C2)C(=C)COCC3=CC=C(C=C3)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H38O4Si/c1-18(15-28-16-20-9-11-21(27-6)12-10-20)25-17-24(25,19(2)26)14-13-22(25)29-30(7,8)23(3,4)5/h9-12,22H,1,13-17H2,2-8H3/t22-,24+,25+/m0/s1
SMILES: C[C@@]1(CC[C@@H]([C@@H]2[C@@H]1CC[C@@]([C@@H]2N=C=S)(C)O)[C@]3(CC[C@@H](C(O3)(C)C)Cl)C)NC=O
InChI: InChI=1S/C22H35ClN2O3S/c1-19(2)16(23)8-11-22(5,28-19)15-6-9-20(3,25-12-26)14-7-10-21(4,27)18(17(14)15)24-13-29/h12,14-18,27H,6-11H2,1-5H3,(H,25,26)/t14-,15-,16-,17-,18+,20-,21+,22+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2CC=C)C3=C(OC=C3)C
InChI: InChI=1S/C19H26N4O2S/c1-4-10-23-18(15-9-11-25-14(15)3)21-22-19(23)26-12-17(24)20-16-8-6-5-7-13(16)2/h4,9,11,13,16H,1,5-8,10,12H2,2-3H3,(H,20,24)/t13-,16-/m0/s1
SMILES: CC1=CC(=C2C(=C1)[C@]3([C@H]4[C@@H]([C@H]([NH2+]3)CCC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5OC)C(=O)N2)C
InChI: InChI=1S/C26H28N4O5/c1-13-10-14(2)22-16(11-13)26(25(34)28-22)21-20(17(29-26)8-9-19(27)31)23(32)30(24(21)33)12-15-6-4-5-7-18(15)35-3/h4-7,10-11,17,20-21,29H,8-9,12H2,1-3H3,(H2,27,31)(H,28,34)/p+1/t17-,20-,21+,26+/m1/s1
SMILES: CC[C@@H]1[C@@H]2C[C@H]3C4=C(CCN3C(=O)C2=CO[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C6=CC=CC=C6N4
InChI: InChI=1S/C34H40N2O12/c1-6-20-23-13-26-28-22(21-9-7-8-10-25(21)35-28)11-12-36(26)32(41)24(23)14-43-33(20)48-34-31(46-19(5)40)30(45-18(4)39)29(44-17(3)38)27(47-34)15-42-16(2)37/h7-10,14,20,23,26-27,29-31,33-35H,6,11-13,15H2,1-5H3/t20-,23+,26+,27-,29-,30+,31-,33+,34+/m1/s1
SMILES: COC1=CC=CC=C1C(=O)NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H22N2O7/c1-28-15-9-5-4-8-14(15)18(25)21-16(23)11-29-17(24)10-22-19(26)12-6-2-3-7-13(12)20(22)27/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,21,23,25)/t12-,13-/m0/s1
SMILES: C1[C@H]([C@@H](C[C@@H]([C@H]1N=C(N)N)OC2=C(C=C(C=C2)N=C(N)N)N=C(N)N)OC3=C(C=C(C=C3)N=C(N)N)N=C(N)N)N=C(N)N
InChI: InChI=1S/C24H38N18O2/c25-19(26)37-9-1-3-15(11(5-9)39-21(29)30)43-17-8-18(14(42-24(35)36)7-13(17)41-23(33)34)44-16-4-2-10(38-20(27)28)6-12(16)40-22(31)32/h1-6,13-14,17-18H,7-8H2,(H4,25,26,37)(H4,27,28,38)(H4,29,30,39)(H4,31,32,40)(H4,33,34,41)(H4,35,36,42)/t13-,14+,17-,18+
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCCC(=O)NCC3=CC=CC=C3Cl
InChI: InChI=1S/C19H21ClN2O3/c20-16-9-4-1-6-13(16)12-21-17(23)10-5-11-22-18(24)14-7-2-3-8-15(14)19(22)25/h1-4,6,9,14-15H,5,7-8,10-12H2,(H,21,23)/t14-,15+
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5
InChI: InChI=1S/C22H27N3O/c26-22(24-14-6-8-17-7-4-5-11-20(17)24)21-15-19(16-12-13-16)23-25(21)18-9-2-1-3-10-18/h1-3,9-10,15-17,20H,4-8,11-14H2/t17-,20+/m1/s1
SMILES: CC1(N([C@@H]([C@@H](O1)CC(=O)CS(=O)(=O)C2=CC=CC=C2)CNC(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C28H36N2O8S/c1-27(2,3)38-26(33)30-23(17-29-25(32)36-18-20-12-8-6-9-13-20)24(37-28(30,4)5)16-21(31)19-39(34,35)22-14-10-7-11-15-22/h6-15,23-24H,16-19H2,1-5H3,(H,29,32)/t23-,24+/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC=C(C=C6)C=CCO[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)OCO5
InChI: InChI=1S/C40H55N3O16/c1-39(2,3)58-27(46)13-12-23(18-44)41-35(50)24-7-4-14-42(24)38(52)40-16-25-31-32(55-20-54-31)34(40)59-43(33(40)36(51)56-25)17-22-10-8-21(9-11-22)6-5-15-53-37-30(49)29(48)28(47)26(19-45)57-37/h5-6,8-11,23-26,28-34,37,44-45,47-49H,4,7,12-20H2,1-3H3,(H,41,50)/t23-,24+,25+,26+,28-,29-,30+,31-,32-,33-,34+,37-,40-/m0/s1