EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CCC4=CC(=CC=C4)F)C(=O)C5CC5)C(=O)NCCO)C=O
InChI: InChI=1S/C29H31FN2O7/c1-38-23-13-17(15-34)12-20-24-21(28(36)31-8-10-33)14-22(25(35)27(24)39-26(20)23)32(29(37)18-5-6-18)9-7-16-3-2-4-19(30)11-16/h2-4,11-15,18,22,24-25,27,33,35H,5-10H2,1H3,(H,31,36)/t22-,24+,25+,27+/m1/s1
SMILES: CC(C)(C)OC(=O)NCCC(=O)OCN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)CO)OCC3=CC=CC=C3)F
InChI: InChI=1S/C25H32FN3O9/c1-25(2,3)38-23(33)27-10-9-21(31)36-15-29-22(32)17(26)12-28(24(29)34)20-11-18(19(13-30)37-20)35-14-16-7-5-4-6-8-16/h4-8,12,18-20,30H,9-11,13-15H2,1-3H3,(H,27,33)/t18-,19+,20+/m0/s1
SMILES: C=C1[C@@H]([C@H](NC(=O)N1)C2=CC=C(O2)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4C(F)(F)F
InChI: InChI=1S/C23H17F4N3O3/c1-12-19(21(31)29-16-5-3-2-4-15(16)23(25,26)27)20(30-22(32)28-12)18-11-10-17(33-18)13-6-8-14(24)9-7-13/h2-11,19-20H,1H2,(H,29,31)(H2,28,30,32)/t19-,20+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=C(N=C2)Cl)Cl
InChI: InChI=1S/C17H22Cl2N2O3/c1-9-5-4-6-14(10(9)2)21-16(22)11(3)24-17(23)12-7-13(18)15(19)20-8-12/h7-11,14H,4-6H2,1-3H3,(H,21,22)/t9-,10+,11+,14-/m0/s1
SMILES: CC1=CC=C(S1)[C@H]2[C@@H]3CCCC=C3C(=C(C2(C#N)C#N)N)C#N
InChI: InChI=1S/C18H16N4S/c1-11-6-7-15(23-11)16-13-5-3-2-4-12(13)14(8-19)17(22)18(16,9-20)10-21/h4,6-7,13,16H,2-3,5,22H2,1H3/t13-,16-/m1/s1
SMILES: C1[C@H]2C[C@@H]([C@@H]1C[C@@H]2CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C33H34P2/c1-5-13-30(14-6-1)34(31-15-7-2-8-16-31)24-28-22-27-21-26(28)23-29(27)25-35(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-20,26-29H,21-25H2/t26-,27-,28+,29+/m0/s1
SMILES: C1=CC=C(C=C1)N[C@H]2[C@H](N2C3=CC=CC=C3)NC4=CC=CC=C4
InChI: InChI=1S/C20H19N3/c1-4-10-16(11-5-1)21-19-20(22-17-12-6-2-7-13-17)23(19)18-14-8-3-9-15-18/h1-15,19-22H/t19-,20+,23?
SMILES: C[C@@]12CCCC([C@@H]3[C@@H]1CC[C@@]2([C@H]3O)C)(C)C
InChI: InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-6-9-15(14,4)12(16)11(10)13/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=C(C=C3)OC(F)(F)F)C(=O)N[C@H](C)C4=CC=CC=C4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(O6)C7=C(C=CC(=C7)C(F)(F)F)Cl)C
InChI: InChI=1S/C51H51ClF6N2O6/c1-31-8-7-24-48(3)42(23-25-49(48,64)30-60(47(63)59-32(2)35-9-5-4-6-10-35)29-33-12-17-38(18-13-33)66-51(56,57)58)39-19-14-34(26-37(61)16-11-31)27-40(39)46(62)45-22-21-44(65-45)41-28-36(50(53,54)55)15-20-43(41)52/h4-6,8-10,12-15,17-22,27-28,32,37,42,61,64H,7,11,16,23-26,29-30H2,1-3H3,(H,59,63)/t32-,37+,42+,48+,49-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@H]([C@@H]2C[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)SC2=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H52O4SSi3/c1-14-33(15-2,16-3)29-22-20(27-31(10,11)24(4,5)6)18-17-19(30-23(18)26)21(22)28-32(12,13)25(7,8)9/h18-22H,14-17H2,1-13H3/t18-,19+,20+,21-,22+/m0/s1
SMILES: CC1=CSC(=N1)[C@]2(CC3=C(N4[C@@H]2CCCC4)N(N=C3C)C5=CC=CC=C5)C#N
InChI: InChI=1S/C22H23N5S/c1-15-13-28-21(24-15)22(14-23)12-18-16(2)25-27(17-8-4-3-5-9-17)20(18)26-11-7-6-10-19(22)26/h3-5,8-9,13,19H,6-7,10-12H2,1-2H3/t19-,22-/m1/s1
SMILES: C1C[C@H]2[C@H]3CC[C@@H]([C@H]2NC1)[C@@H]4N3CCC5=C4NC6=CC=CC=C56
InChI: InChI=1S/C20H25N3/c1-2-6-16-12(4-1)13-9-11-23-17-8-7-15(20(23)19(13)22-16)18-14(17)5-3-10-21-18/h1-2,4,6,14-15,17-18,20-22H,3,5,7-11H2/t14-,15-,17+,18-,20-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CN3CCN(CC3)CC4=CC=C(C=C4)C(C)C
InChI: InChI=1S/C24H36N4O2/c1-18(2)21-9-7-20(8-10-21)16-26-12-14-27(15-13-26)17-28-22(29)24(25-23(28)30)11-5-4-6-19(24)3/h7-10,18-19H,4-6,11-17H2,1-3H3,(H,25,30)/t19-,24+/m0/s1
SMILES: CCCCC[C@H](/C=C/C#CC[C@H]1C[C@@H]1C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C21H32O3/c1-2-3-7-14-20(22)15-10-6-9-13-19-17-18(19)12-8-4-5-11-16-21(23)24/h4,8,10,15,18-20,22H,2-3,5,7,11-14,16-17H2,1H3,(H,23,24)/b8-4-,15-10+/t18-,19-,20+/m0/s1
SMILES: C[C@@H](CO)C(=C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)O)O)O)O
InChI: InChI=1S/C18H24O9/c1-9(7-19)10(2)17(24)25-8-13-14(21)15(22)16(23)18(27-13)26-12-5-3-11(20)4-6-12/h3-6,9,13-16,18-23H,2,7-8H2,1H3/t9-,13+,14+,15-,16+,18-/m0/s1
SMILES: C[C@@H]1[C@@H]2CC3=CC=CC=C3[C@]1(CCN2CCNC4=CC=CC=C4)C
InChI: InChI=1S/C22H28N2/c1-17-21-16-18-8-6-7-11-20(18)22(17,2)12-14-24(21)15-13-23-19-9-4-3-5-10-19/h3-11,17,21,23H,12-16H2,1-2H3/t17-,21+,22+/m1/s1
SMILES: C1[C@@H]2C[C@@H]([C@H]1C=C2)C(=O)OCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl
InChI: InChI=1S/C16H14ClF3N2O3/c17-12-5-10(16(18,19)20)6-21-14(12)22-13(23)7-25-15(24)11-4-8-1-2-9(11)3-8/h1-2,5-6,8-9,11H,3-4,7H2,(H,21,22,23)/t8-,9+,11+/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)CN2C(=O)[C@@H]3CC[C@H](C[C@H]3C2=O)C4=CC=CC=C4
InChI: InChI=1S/C23H24N2O4/c1-29-18-10-8-17(9-11-18)24-21(26)14-25-22(27)19-12-7-16(13-20(19)23(25)28)15-5-3-2-4-6-15/h2-6,8-11,16,19-20H,7,12-14H2,1H3,(H,24,26)/t16-,19-,20-/m1/s1
SMILES: C[C@H]1C[C@]([C@@H](C[NH+]1C)C)(CC[NH2+]CC2=CC=C(C=C2)OC(C)C)O
InChI: InChI=1S/C20H34N2O2/c1-15(2)24-19-8-6-18(7-9-19)13-21-11-10-20(23)12-17(4)22(5)14-16(20)3/h6-9,15-17,21,23H,10-14H2,1-5H3/p+2/t16-,17+,20+/m1/s1
SMILES: CCOP(OCC)O[C@@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)C)O[C@H]2CC[C@@H]([C@@H](O2)C)OC(=O)C
InChI: InChI=1S/C20H35O10P/c1-7-23-31(24-8-2)30-19-11-17(20(13(4)26-19)28-15(6)22)29-18-10-9-16(12(3)25-18)27-14(5)21/h12-13,16-20H,7-11H2,1-6H3/t12-,13+,16-,17+,18-,19+,20+/m0/s1
SMILES: CC1C(C(C(C(O1)O[C@@H]2[C@H](C3=C(C4=C(C5=C(C=C24)C(=O)C6=C(C5=O)C=C(C=C6O)OC)O)C(=C(C(=C3)C)C(=O)NC(C)C(=O)O)O)O)O)O)O
InChI: InChI=1S/C34H33NO15/c1-9-5-13-20(27(41)18(9)32(45)35-10(2)33(46)47)21-16(31(26(13)40)50-34-30(44)29(43)23(37)11(3)49-34)8-15-22(28(21)42)25(39)14-6-12(48-4)7-17(36)19(14)24(15)38/h5-8,10-11,23,26,29-31,34,36-37,40-44H,1-4H3,(H,35,45)(H,46,47)/t10?,11?,23?,26-,29?,30?,31-,34?/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=CC(=C5)[N+](=O)[O-])CCCCO)CCCCO)OCC=C)N(CCOCCO)C(=O)C6CC6
InChI: InChI=1S/C43H57N3O11/c1-3-22-54-43-39(45(18-23-53-24-21-49)42(50)29-14-15-29)28-37(44-55-4-2)35-25-30(10-5-7-19-47)34(13-6-8-20-48)40(41(35)43)36-27-33(16-17-38(36)57-43)56-32-12-9-11-31(26-32)46(51)52/h3,9,11-12,16-17,25-27,29-30,34,39-41,47-49H,1,4-8,10,13-15,18-24,28H2,2H3/t30-,34+,39-,40+,41+,43+/m0/s1
SMILES: CC1=C[C@@H]2[C@@H]3C[C@H]1C(=O)[C@@]3(C[C@@H]2C(C)C)C
InChI: InChI=1S/C15H22O/c1-8(2)12-7-15(4)13-6-10(14(15)16)9(3)5-11(12)13/h5,8,10-13H,6-7H2,1-4H3/t10-,11+,12-,13+,15-/m1/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)C
InChI: InChI=1S/C23H24N2O3/c1-14-6-5-9-20(15(14)2)24-21(26)16-10-12-17(13-11-16)25-22(27)18-7-3-4-8-19(18)23(25)28/h5-6,9-13,18-19H,3-4,7-8H2,1-2H3,(H,24,26)/t18-,19-/m0/s1
SMILES: C[C@H]1[C@@H]2C3=C(C(=CC=C3)OC)O[C@@H]1C4=CC=CC=C4O2
InChI: InChI=1S/C17H16O3/c1-10-15-11-6-3-4-8-13(11)19-16(10)12-7-5-9-14(18-2)17(12)20-15/h3-10,15-16H,1-2H3/t10-,15+,16-/m1/s1
SMILES: C[C@@H]1CC(=C[C@H]([C@@H]1CN(CC2=CC=CO2)C(=O)C)C)C
InChI: InChI=1S/C17H25NO2/c1-12-8-13(2)17(14(3)9-12)11-18(15(4)19)10-16-6-5-7-20-16/h5-8,13-14,17H,9-11H2,1-4H3/t13-,14-,17+/m1/s1
SMILES: CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=S)N[C@@H]2CCCC[C@@H]2C)N
InChI: InChI=1S/C18H31N5O2S/c1-4-6-11-23-15(19)14(16(24)21-17(23)25)22(5-2)18(26)20-13-10-8-7-9-12(13)3/h12-13H,4-11,19H2,1-3H3,(H,20,26)(H,21,24,25)/t12-,13+/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-]
InChI: InChI=1S/C16H21NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,17,18)(H,19,20)/p-1/t11-,13-,14+/m1/s1
SMILES: COC(=O)[C@H]1[C@@H](C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)I)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C22H17ClIN3O4S/c1-31-22(30)19-18(14-4-2-3-5-16(14)23)15(10-25)21(27-20(19)29)32-11-17(28)26-13-8-6-12(24)7-9-13/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)/t18-,19+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)N)N)O)O)O
InChI: InChI=1S/C40H61N11O16/c1-18(66-39-32(58)31(57)30(56)19(2)67-39)29(38(64)65)50-35(61)23(14-20-8-4-3-5-9-20)49-34(60)24(16-28(54)55)47-27(53)17-46-33(59)22(10-6-12-45-40(43)44)48-36(62)25-11-7-13-51(25)37(63)21(41)15-26(42)52/h3-5,8-9,18-19,21-25,29-32,39,56-58H,6-7,10-17,41H2,1-2H3,(H2,42,52)(H,46,59)(H,47,53)(H,48,62)(H,49,60)(H,50,61)(H,54,55)(H,64,65)(H4,43,44,45)/t18-,19+,21+,22+,23+,24+,25+,29+,30+,31-,32-,39-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C(=CC=C5)OC)O)C(=O)N(C4=O)CCC(=O)O)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C31H30N2O8/c1-31-21(28(38)33(30(31)40)16-7-4-3-5-8-16)15-20-17(25(31)19-9-6-10-22(41-2)26(19)36)11-12-18-24(20)29(39)32(27(18)37)14-13-23(34)35/h3-11,18,20-21,24-25,36H,12-15H2,1-2H3,(H,34,35)/t18-,20+,21-,24-,25+,31+/m0/s1
SMILES: CCCCOC1=C(C=C(C=C1)[C@H]2[C@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)OC)ON2C5=CC=CC=C5)OCC
InChI: InChI=1S/C30H32N2O6/c1-4-6-18-37-24-17-12-20(19-25(24)36-5-2)27-26-28(38-32(27)22-10-8-7-9-11-22)30(34)31(29(26)33)21-13-15-23(35-3)16-14-21/h7-17,19,26-28H,4-6,18H2,1-3H3/t26-,27-,28+/m0/s1
SMILES: CC(=C)C[C@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C(=O)N1C4=CC=CC=C4F)C(=O)O
InChI: InChI=1S/C19H18FNO4/c1-10(2)9-14-19-8-7-13(25-19)15(18(23)24)16(19)17(22)21(14)12-6-4-3-5-11(12)20/h3-8,13-16H,1,9H2,2H3,(H,23,24)/t13-,14+,15+,16+,19-/m1/s1
SMILES: C[C@]12C[C@@H]3CCC4=C5[C@@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC5=CC(=C4)O
InChI: InChI=1S/C20H26O2/c1-20-10-13-3-2-11-8-14(21)9-12-4-5-15(19(13)18(11)12)16(20)6-7-17(20)22/h8-9,13,15-17,19,21-22H,2-7,10H2,1H3/t13-,15-,16-,17-,19-,20-/m0/s1
SMILES: C[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)OC(=O)/C=C\C6=CC(=C(C=C6)O)O)C)C)(C)C
InChI: InChI=1S/C39H56O4/c1-34(2)21-22-36(5)17-13-29-38(7)18-14-28-35(3,4)32(43-33(42)12-10-25-9-11-26(40)27(41)23-25)16-20-37(28,6)30(38)15-19-39(29,8)31(36)24-34/h9-13,23,28,30-32,40-41H,14-22,24H2,1-8H3/b12-10-/t28-,30+,31+,32-,36-,37-,38-,39+/m0/s1
SMILES: CCCCCCCNC(=O)O[C@@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C)[C@@H](CO)O
InChI: InChI=1S/C19H33N3O8/c1-3-4-5-6-7-8-21-19(28)30-16(13(25)10-23)17-15(22-11(2)24)12(20)9-14(29-17)18(26)27/h9,12-13,15-17,23,25H,3-8,10,20H2,1-2H3,(H,21,28)(H,22,24)(H,26,27)/t12-,13+,15+,16+,17+/m0/s1
SMILES: CN(C)[C@@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=O)C3C(=O)[C@@]2(C(=O)C(C1=O)C(=O)N)O)O)C5=CC=C(O5)CN6CCCC6
InChI: InChI=1S/C30H33N3O8/c1-32(2)24-18-12-14-11-17-16(20-8-5-15(41-20)13-33-9-3-4-10-33)6-7-19(34)22(17)25(35)21(14)27(37)30(18,40)28(38)23(26(24)36)29(31)39/h5-8,14,18,21,23-24,34,40H,3-4,9-13H2,1-2H3,(H2,31,39)/t14-,18-,21?,23?,24+,30-/m0/s1
SMILES: CC(C)C[C@@H](C(=O)N[C@H]1[C@H](N(C1=O)C(=O)OC(C)(C)C)C(C)C)NC(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C25H37N3O6/c1-15(2)13-18(26-23(31)33-14-17-11-9-8-10-12-17)21(29)27-19-20(16(3)4)28(22(19)30)24(32)34-25(5,6)7/h8-12,15-16,18-20H,13-14H2,1-7H3,(H,26,31)(H,27,29)/t18-,19-,20+/m0/s1
SMILES: CCOC(=O)C(C)NP(=O)(OC[C@H]1[C@@H](C[C@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-]
InChI: InChI=1S/C25H34N11O11P/c1-5-43-23(39)14(4)32-48(42,44-10-17-15(30-33-26)6-19(46-17)35-8-12(2)21(37)28-24(35)40)45-11-18-16(31-34-27)7-20(47-18)36-9-13(3)22(38)29-25(36)41/h8-9,14-20H,5-7,10-11H2,1-4H3,(H,32,42)(H,28,37,40)(H,29,38,41)/t14?,15-,16+,17+,18-,19+,20-,48?
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C=CC=C2F)F
InChI: InChI=1S/C17H21F2NO3/c1-10-6-3-4-9-14(10)20-16(21)11(2)23-17(22)15-12(18)7-5-8-13(15)19/h5,7-8,10-11,14H,3-4,6,9H2,1-2H3,(H,20,21)/t10-,11+,14-/m0/s1
SMILES: C[C@@H]1CCC2[C@H](C(O[C@H]3C24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)OC(C#N)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)C
InChI: InChI=1S/C35H41NO10/c1-21-10-12-26-22(2)32(43-33-35(26)25(21)16-17-34(3,44-33)45-46-35)42-31(38)15-14-30(37)41-29(19-36)24-11-13-27(28(18-24)39-4)40-20-23-8-6-5-7-9-23/h5-9,11,13,18,21-22,25-26,29,32-33H,10,12,14-17,20H2,1-4H3/t21-,22-,25+,26?,29?,32?,33-,34-,35?/m1/s1
SMILES: CC1(O[C@H]([C@@H](O1)COC)COC)[C@@H]([C@H](C(=O)OC(C)(C)C)OC(C)(C)C)NC2=CC=C(C=C2)OC
InChI: InChI=1S/C26H43NO8/c1-24(2,3)34-21(23(28)35-25(4,5)6)22(27-17-11-13-18(31-10)14-12-17)26(7)32-19(15-29-8)20(33-26)16-30-9/h11-14,19-22,27H,15-16H2,1-10H3/t19-,20-,21+,22+/m0/s1
SMILES: CC1([C@@H]([C@@H](C2=C(O1)C=CC3=C2OC(=O)C=C3)OC(=O)C4=CC=C(C=C4)C(C)(C)C)OC(=O)C5=CC=C(C=C5)C(C)(C)C)C
InChI: InChI=1S/C36H38O7/c1-34(2,3)24-15-9-22(10-16-24)32(38)41-30-28-26(19-13-21-14-20-27(37)40-29(21)28)43-36(7,8)31(30)42-33(39)23-11-17-25(18-12-23)35(4,5)6/h9-20,30-31H,1-8H3/t30-,31-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)Cl)C4=CC(=CC=C4)Br
InChI: InChI=1S/C18H15BrClN/c19-12-4-1-3-11(9-12)18-15-6-2-5-14(15)16-10-13(20)7-8-17(16)21-18/h1-5,7-10,14-15,18,21H,6H2/t14-,15+,18+/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CN(CC5=CC=CC=C5)C(=O)CC6=CC(=C(C=C6)OC)OC)O)C)O
InChI: InChI=1S/C37H47NO5/c1-35-17-14-28(39)22-27(35)11-12-29-30(35)15-18-36(2)31(29)16-19-37(36,41)24-38(23-25-8-6-5-7-9-25)34(40)21-26-10-13-32(42-3)33(20-26)43-4/h5-13,20,28,30-31,39,41H,14-19,21-24H2,1-4H3/t28-,30-,31-,35-,36-,37+/m0/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=C(C=CC(=C4)OC(F)(F)F)O)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C31H17BrF9NO6/c32-20-10-22(44)25-19(26(20)45)9-17-15(23(25)18-8-14(1-4-21(18)43)48-31(39,40)41)2-3-16-24(17)28(47)42(27(16)46)13-6-11(29(33,34)35)5-12(7-13)30(36,37)38/h1-2,4-8,10,16-17,23-24,43H,3,9H2/t16-,17+,23+,24-/m0/s1
SMILES: CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@@H]5/C=C\CCCC[C@@H](CC(=O)N4C3)NC(=O)OC6CCCC6)C(=O)O)OC)OC
InChI: InChI=1S/C36H46N4O9/c1-21-28(46-2)15-14-26-29(18-30(47-3)38-32(21)26)48-25-17-27-33(42)39-36(34(43)44)19-22(36)10-6-4-5-7-11-23(16-31(41)40(27)20-25)37-35(45)49-24-12-8-9-13-24/h6,10,14-15,18,22-25,27H,4-5,7-9,11-13,16-17,19-20H2,1-3H3,(H,37,45)(H,39,42)(H,43,44)/b10-6-/t22-,23-,25+,27-,36+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H]3C4=C(C=CC5=CC=CC=C54)O[C@@]2([C@H]1CCC(=O)C)O3)C
InChI: InChI=1S/C24H28O3/c1-14-8-11-20-16(3)23-22-18-7-5-4-6-17(18)10-13-21(22)26-24(20,27-23)19(14)12-9-15(2)25/h4-7,10,13-14,16,19-20,23H,8-9,11-12H2,1-3H3/t14-,16-,19+,20+,23+,24+/m1/s1
SMILES: CC(C)CCCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19?,20-,21-,23+,24-,25-,26-,27+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4)CN5CC6(CC5CC(C6)(C)C)C
InChI: InChI=1S/C36H44N2O4/c1-24-31(20-38-23-36(4)19-30(38)18-35(2,3)22-36)41-34(42-32(24)26-15-13-25(21-39)14-16-26)28-11-8-12-29(17-28)37-33(40)27-9-6-5-7-10-27/h5-17,24,30-32,34,39H,18-23H2,1-4H3,(H,37,40)/t24-,30?,31+,32+,34+,36?/m0/s1
SMILES: C[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCCCCCC(=O)OCCC[N@@+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C.[Cl-].[Cl-]
InChI: InChI=1S/C58H82N2O14.2ClH/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10;;/h31-38,45-46H,13-30H2,1-12H3;2*1H/q+2;;/p-2/t45-,46-,59-,60-;;/m1../s1
SMILES: CCOC(=O)C[C@@H](COCC1=CC=CC=C1)[C@H]2[C@@H](O2)[C@@H]3N([C@@H](CO3)C4=CC=CC=C4)C(=O)OCC
InChI: InChI=1S/C27H33NO7/c1-3-32-23(29)15-21(17-31-16-19-11-7-5-8-12-19)24-25(35-24)26-28(27(30)33-4-2)22(18-34-26)20-13-9-6-10-14-20/h5-14,21-22,24-26H,3-4,15-18H2,1-2H3/t21-,22-,24-,25+,26+/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=CC5=CC=CC=C5N4[C@H]([C@H]3C2=O)C(=O)C6=CC=CO6)C
InChI: InChI=1S/C27H22N2O4/c1-15-9-11-18(16(2)14-15)29-26(31)22-20-12-10-17-6-3-4-7-19(17)28(20)24(23(22)27(29)32)25(30)21-8-5-13-33-21/h3-14,20,22-24H,1-2H3/t20-,22-,23-,24+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H](C(=O)N(C3=C(S2)C=C(C=C3)C)CCNC)O
InChI: InChI=1S/C20H24N2O2S/c1-13-4-7-15(8-5-13)19-18(23)20(24)22(11-10-21-3)16-9-6-14(2)12-17(16)25-19/h4-9,12,18-19,21,23H,10-11H2,1-3H3/t18-,19+/m1/s1
SMILES: C[C@]12C[C@H]([C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O)O
InChI: InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14-,17+,18-,19+,20-,21+,22+,24-,25+,26+,27?/m0/s1
SMILES: CC(C)[C@H](C[C@H]1[C@@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)CC2=CC=CC=C2)C(=O)NCC3=NNN=N3
InChI: InChI=1S/C25H38N6O4/c1-16(2)18(22(32)26-15-21-27-29-30-28-21)14-20-19(13-17-11-9-8-10-12-17)31(25(6,7)34-20)23(33)35-24(3,4)5/h8-12,16,18-20H,13-15H2,1-7H3,(H,26,32)(H,27,28,29,30)/t18-,19-,20-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2([C@@]1(CC[C@H]3[C@H]2C=C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)CO
InChI: InChI=1S/C28H48O2/c1-19(2)7-6-8-20(3)23-13-16-28(18-29)25-10-9-21-17-22(30)11-14-26(21,4)24(25)12-15-27(23,28)5/h9-10,19-25,29-30H,6-8,11-18H2,1-5H3/t20-,21+,22+,23-,24+,25-,26+,27-,28?/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)C(=C)[C@]2(C=CC[C@H]([C@@H]2C(=O)OC)C(=O)OC)C
InChI: InChI=1S/C21H24O5/c1-13(15-8-10-16(11-9-15)14(2)22)21(3)12-6-7-17(19(23)25-4)18(21)20(24)26-5/h6,8-12,17-18H,1,7H2,2-5H3/t17-,18-,21-/m1/s1
SMILES: CC1([C@H]2CCN3CCC[C@H]3[C@H]2NC4=C1C=C(C=C4)CC5=CC=C(C=C5)N=CC6=CC=C(C=C6)C=NC7=CC=C(C=C7)CC8=CC9=C(C=C8)N[C@H]1[C@@H](C9(C)C)CCN2[C@H]1CCC2)C
InChI: InChI=1S/C56H64N6/c1-55(2)45-25-29-61-27-5-7-51(61)53(45)59-49-23-17-41(33-47(49)55)31-37-13-19-43(20-14-37)57-35-39-9-11-40(12-10-39)36-58-44-21-15-38(16-22-44)32-42-18-24-50-48(34-42)56(3,4)46-26-30-62-28-6-8-52(62)54(46)60-50/h9-24,33-36,45-46,51-54,59-60H,5-8,25-32H2,1-4H3/t45-,46-,51-,52-,53-,54-/m0/s1
SMILES: CN(C)[C@@H]1[C@H]2C[C@H]3CC4=C(C=C(C(=C4C(=O)C3C(=O)[C@]2(C(=O)C(C1=O)C(=O)N)O)O)CN)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C28H28N4O9/c1-31(2)21-17-9-12-7-16-15(11-4-3-5-14(6-11)32(40)41)8-13(10-29)22(33)19(16)23(34)18(12)25(36)28(17,39)26(37)20(24(21)35)27(30)38/h3-6,8,12,17-18,20-21,33,39H,7,9-10,29H2,1-2H3,(H2,30,38)/t12-,17-,18?,20?,21-,28-/m1/s1
SMILES: CC[C@]1([C@]2([C@@]1([C@@]3([NH+]=C2N)OC[C@@H](O3)C)C#N)C#N)C4=CC=C(C=C4)F
InChI: InChI=1S/C18H17FN4O2/c1-3-15(12-4-6-13(19)7-5-12)16(9-20)14(22)23-18(17(15,16)10-21)24-8-11(2)25-18/h4-7,11H,3,8H2,1-2H3,(H2,22,23)/p+1/t11-,15+,16-,17+,18+/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCSC6=CC=CC=C6)OCC=C)CCCCO)CCCCO)C(=O)OCC
InChI: InChI=1S/C48H61N3O10S/c1-4-24-50(47(54)57-6-3)44-32-42(49-60-33-34-18-20-36(21-19-34)51(55)56)40-30-35(14-10-12-25-52)39(17-11-13-26-53)45-41-31-37(58-28-29-62-38-15-8-7-9-16-38)22-23-43(41)61-48(44,46(40)45)59-27-5-2/h5,7-9,15-16,18-23,30-31,35,39,44-46,52-53H,2,4,6,10-14,17,24-29,32-33H2,1,3H3/t35-,39+,44-,45+,46+,48+/m0/s1
SMILES: C[C@@]12CC[C@@](C1(C)C)(OC2=O)C(=O)O[C@@H]3CCCN(C[C@H]3NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)OC(C)(C)C
InChI: InChI=1S/C35H44N2O8/c1-32(2,3)45-31(41)37-20-10-13-27(43-30(40)35-19-18-34(6,29(39)44-35)33(35,4)5)26(21-37)36-28(38)24-14-16-25(17-15-24)42-22-23-11-8-7-9-12-23/h7-9,11-12,14-17,26-27H,10,13,18-22H2,1-6H3,(H,36,38)/t26-,27-,34+,35-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H](C[C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H32O5/c1-29-28-27(32-20-24-15-9-4-10-16-24)26(31-19-23-13-7-3-8-14-23)17-25(33-28)21-30-18-22-11-5-2-6-12-22/h2-16,25-28H,17-21H2,1H3/t25-,26-,27-,28-/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=CC=C3)[C@H]4C[C@@H]5CC[C@H]4C5
InChI: InChI=1S/C27H26O2/c1-29-27(28)21-11-9-20(10-12-21)24-14-13-22(19-5-3-2-4-6-19)17-26(24)25-16-18-7-8-23(25)15-18/h2-6,9-14,17-18,23,25H,7-8,15-16H2,1H3/t18-,23+,25+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=CC3=C(C=C2)N(C(=N3)C)C4=CC=CC=C4
InChI: InChI=1S/C25H29N3O3/c1-16-8-7-11-21(17(16)2)27-24(29)15-31-25(30)19-12-13-23-22(14-19)26-18(3)28(23)20-9-5-4-6-10-20/h4-6,9-10,12-14,16-17,21H,7-8,11,15H2,1-3H3,(H,27,29)/t16-,17-,21+/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC=C3[C@@H]2[C@@H](O[C@H]3OC)OC)(C)C
InChI: InChI=1S/C17H28O3/c1-16(2)9-6-10-17(3)12(16)8-7-11-13(17)15(19-5)20-14(11)18-4/h7,12-15H,6,8-10H2,1-5H3/t12-,13+,14+,15+,17-/m0/s1
SMILES: C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)NC(=O)OCC=C
InChI: InChI=1S/C21H39NO12Si/c1-5-6-31-21(29)22-13-15(26)18(12(10-24)33-19(13)30-7-8-35(2,3)4)34-20-17(28)16(27)14(25)11(9-23)32-20/h5,11-20,23-28H,1,6-10H2,2-4H3,(H,22,29)/t11-,12-,13-,14+,15-,16+,17-,18-,19-,20+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@]1(C[C@@H]2CC([C@]1(O2)/C=C/C(=C/C=O)/C)(C)C)C
InChI: InChI=1S/C21H36O3Si/c1-8-25(9-2,10-3)24-20(7)16-18-15-19(5,6)21(20,23-18)13-11-17(4)12-14-22/h11-14,18H,8-10,15-16H2,1-7H3/b13-11+,17-12+/t18-,20+,21+/m0/s1
SMILES: COC(=O)C1=C(S[C@]2([C@H]1C(=O)N3C2=NC4=CC=CC=C43)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C26H18N2O3S/c1-31-24(30)20-21-23(29)28-19-15-9-8-14-18(19)27-25(28)26(21,17-12-6-3-7-13-17)32-22(20)16-10-4-2-5-11-16/h2-15,21H,1H3/t21-,26+/m1/s1
SMILES: C[C@H](CC1=CC=CC=C1)NC2=C3C(=CN=N2)N(N=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C18H22N6O4/c1-10(7-11-5-3-2-4-6-11)20-17-14-12(8-19-22-17)24(23-21-14)18-16(27)15(26)13(9-25)28-18/h2-6,8,10,13,15-16,18,25-27H,7,9H2,1H3,(H,20,22)/t10-,13-,15-,16-,18-/m1/s1
SMILES: C1[C@@H]2[C@@H]3[C@H]([C@@H]4C5=CC=CC=C5C=CN4[C@H]3C(=O)C6=CC=CC=C6)C(=O)[C@H](O1)O2
InChI: InChI=1S/C23H19NO4/c25-21(14-7-2-1-3-8-14)20-17-16-12-27-23(28-16)22(26)18(17)19-15-9-5-4-6-13(15)10-11-24(19)20/h1-11,16-20,23H,12H2/t16-,17-,18-,19+,20-,23-/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)COC(=O)C3=CC=CC=[N+]3[O-]
InChI: InChI=1S/C17H22N2O4/c20-16(12-23-17(21)15-9-3-4-11-19(15)22)18-10-5-7-13-6-1-2-8-14(13)18/h3-4,9,11,13-14H,1-2,5-8,10,12H2/t13-,14-/m1/s1
SMILES: CCCCCCCC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=C(C=C(C=C4I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C33H41IN2O9/c1-3-4-5-6-7-8-30(39)36(18-21-9-10-26-27(14-21)44-20-43-26)25-16-23(33(41)35-11-12-37)17-28(31(25)40)45-32-24(34)13-22(19-38)15-29(32)42-2/h9-10,13-15,17,19,25,28,31,37,40H,3-8,11-12,16,18,20H2,1-2H3,(H,35,41)/t25-,28+,31+/m1/s1
SMILES: C=CCO[C@@H]1[C@H]([C@H]([C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)O
InChI: InChI=1S/C30H34O6/c1-2-18-33-27-25(31)26(32)28(34-19-22-12-6-3-7-13-22)30(36-21-24-16-10-5-11-17-24)29(27)35-20-23-14-8-4-9-15-23/h2-17,25-32H,1,18-21H2/t25-,26+,27+,28+,29-,30-/m0/s1
SMILES: CC1(O[C@@H]2C[C@H]3[C@@H](C=C([C@H]3[C@@H]2O1)CO)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C18H32O4Si/c1-17(2,3)23(6,7)22-13-8-11(10-19)15-12(13)9-14-16(15)21-18(4,5)20-14/h8,12-16,19H,9-10H2,1-7H3/t12-,13+,14+,15+,16+/m0/s1
SMILES: C1[C@@H]([C@@H](CN1C2=C(C=C3C(=O)C(=CN(C3=N2)C4=NC=CS4)C(=O)O)F)Cl)CN
InChI: InChI=1S/C17H15ClFN5O3S/c18-11-7-23(5-8(11)4-20)15-12(19)3-9-13(25)10(16(26)27)6-24(14(9)22-15)17-21-1-2-28-17/h1-3,6,8,11H,4-5,7,20H2,(H,26,27)/t8-,11+/m0/s1
SMILES: CC1=C(N2[C@H]([C@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)[NH3+])SC1)C(=O)[O-]
InChI: InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11+,15+/m1/s1
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CCC5[C@@]3(CC[C@@H](C5)N(C6[C@H]([C@H]([C@H]([C@@H](O6)CO)O)O)O)OC)C
InChI: InChI=1S/C30H47NO9/c1-28-9-6-18(31(38-3)27-26(36)25(35)24(34)22(14-32)40-27)13-17(28)4-5-21-20(28)7-10-29(2)19(8-11-30(21,29)37)16-12-23(33)39-15-16/h12,17-22,24-27,32,34-37H,4-11,13-15H2,1-3H3/t17?,18-,19+,20?,21?,22-,24-,25-,26-,27?,28-,29+,30-/m0/s1
SMILES: CC1=CC2=C(S1)CCC(C2=O)CN[C@@H]3CC[C@H]([C@@H]3O)OC4=C(C=CC=C4F)F
InChI: InChI=1S/C21H23F2NO3S/c1-11-9-13-18(28-11)8-5-12(19(13)25)10-24-16-6-7-17(20(16)26)27-21-14(22)3-2-4-15(21)23/h2-4,9,12,16-17,20,24,26H,5-8,10H2,1H3/t12?,16-,17-,20-/m1/s1
SMILES: CC(C)C([C@H](/C=C/C(C)C1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O)P(=O)(OC(C)C)OC(C)C
InChI: InChI=1S/C34H57O6P/c1-21(2)33(41(38,39-22(3)4)40-23(5)6)31(36)17-12-24(7)29-15-16-30-26(11-10-18-34(29,30)9)13-14-27-19-28(35)20-32(37)25(27)8/h12-14,17,21-24,28-33,35-37H,8,10-11,15-16,18-20H2,1-7,9H3/b17-12+,26-13-,27-14+/t24?,28-,29?,30+,31+,32+,33?,34-/m1/s1
SMILES: C[C@@]12CCCC([C@H]1C[C@H](C3=CC(C[C@@H](C2=O)O)C(=C)C3=O)O)(C)C
InChI: InChI=1S/C20H28O4/c1-11-12-8-13(17(11)23)14(21)10-16-19(2,3)6-5-7-20(16,4)18(24)15(22)9-12/h8,12,14-16,21-22H,1,5-7,9-10H2,2-4H3/t12?,14-,15+,16-,20-/m1/s1
SMILES: CC(=O)OC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4CC[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C18H17NO4/c1-10(20)23-14-8-6-13(7-9-14)19-17(21)15-11-2-3-12(5-4-11)16(15)18(19)22/h2-3,6-9,11-12,15-16H,4-5H2,1H3/t11-,12+,15-,16-/m0/s1