EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)N(C)[C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=CC(=C5)[N+](=O)[O-])OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C41H55N3O10/c1-7-22-51-41-36(43(6)39(47)50-8-2)26-34(42-54-40(3,4)5)32-23-27(14-9-11-20-45)31(17-10-12-21-46)37(38(32)41)33-25-30(18-19-35(33)53-41)52-29-16-13-15-28(24-29)44(48)49/h7,13,15-16,18-19,23-25,27,31,36-38,45-46H,1,8-12,14,17,20-22,26H2,2-6H3/t27-,31+,36-,37+,38+,41+/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC(=O)C)CC(=O)C=C2C)C
InChI: InChI=1S/C18H28O2/c1-12-6-8-18(5)13(2)10-15(20)11-16(18)17(12,4)9-7-14(3)19/h10,12,16H,6-9,11H2,1-5H3/t12-,16-,17+,18+/m1/s1
SMILES: C/C(=C/C[C@@]1(CC[C@H]([C@H]1/C=C/C=C/C(=O)OC)OCC2=CC=C(C=C2)OC)C)/CCl
InChI: InChI=1S/C25H33ClO4/c1-19(17-26)13-15-25(2)16-14-23(22(25)7-5-6-8-24(27)29-4)30-18-20-9-11-21(28-3)12-10-20/h5-13,22-23H,14-18H2,1-4H3/b7-5+,8-6+,19-13-/t22-,23-,25-/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=CC=CC=C4
InChI: InChI=1S/C19H16N2O4/c22-19(23)14-9-10-15(21(24)25)16-12-7-4-8-13(12)17(20-18(14)16)11-5-2-1-3-6-11/h1-7,9-10,12-13,17,20H,8H2,(H,22,23)/t12-,13+,17+/m0/s1
SMILES: CC1=CC2=C(C(=C1)OC)C(=O)C(=O)[C@]3([C@@H]2[C@@H](CC3)C(C)C)C
InChI: InChI=1S/C19H24O3/c1-10(2)12-6-7-19(4)16(12)13-8-11(3)9-14(22-5)15(13)17(20)18(19)21/h8-10,12,16H,6-7H2,1-5H3/t12-,16+,19+/m0/s1
SMILES: CC1=C[C@@H]([C@@H](C=C1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChI: InChI=1S/C16H34Si3/c1-13-11-15(18(5,6)7)16(19(8,9)10)12-14(13)17(2,3)4/h11-12,15-16H,1-10H3/t15-,16+/m0/s1
SMILES: CN1C(=NN=C1SCC(=O)N2CCC[C@@H]3[C@H]2CCCC3)C4=CC=CO4
InChI: InChI=1S/C18H24N4O2S/c1-21-17(15-9-5-11-24-15)19-20-18(21)25-12-16(23)22-10-4-7-13-6-2-3-8-14(13)22/h5,9,11,13-14H,2-4,6-8,10,12H2,1H3/t13-,14-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC45[C@@]3(CCC(=O)C4O5)C
InChI: InChI=1S/C19H26O3/c1-17-8-6-13-11(12(17)3-4-15(17)21)5-10-19-16(22-19)14(20)7-9-18(13,19)2/h11-13,16H,3-10H2,1-2H3/t11-,12-,13-,16?,17-,18+,19?/m0/s1
SMILES: CC(C)C[C@]1(C[C@]([C@@H](N1)C2=CC=CC=C2)(C(=O)OC)NC(=O)C3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C25H30N2O5/c1-17(2)15-24(22(29)31-3)16-25(23(30)32-4,20(26-24)18-11-7-5-8-12-18)27-21(28)19-13-9-6-10-14-19/h5-14,17,20,26H,15-16H2,1-4H3,(H,27,28)/t20-,24-,25-/m0/s1
SMILES: CC1CC[NH+](CC1)C[C@@H]2[C@@H]3CC[C@@]4(C=CC(=O)C(=C4[C@@H]3OC2=O)C)C
InChI: InChI=1S/C21H29NO3/c1-13-6-10-22(11-7-13)12-16-15-4-8-21(3)9-5-17(23)14(2)18(21)19(15)25-20(16)24/h5,9,13,15-16,19H,4,6-8,10-12H2,1-3H3/p+1/t15-,16+,19+,21+/m0/s1
SMILES: CCCCCCCCCCCCSCC(COP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)Cl)N)F)O)OCCCCCCCCCC
InChI: InChI=1S/C35H62ClFN5O7PS/c1-3-5-7-9-11-13-14-16-18-20-22-51-25-27(46-21-19-17-15-12-10-8-6-4-2)23-47-50(44,45)48-24-28-31(43)29(37)34(49-28)42-26-39-30-32(38)40-35(36)41-33(30)42/h26-29,31,34,43H,3-25H2,1-2H3,(H,44,45)(H2,38,40,41)/t27?,28-,29+,31-,34-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1[NH2+]CC2=CC(=O)OC3=C2C=C(C(=C3)C)Cl
InChI: InChI=1S/C18H22ClNO2/c1-11-5-3-4-6-16(11)20-10-13-8-18(21)22-17-7-12(2)15(19)9-14(13)17/h7-9,11,16,20H,3-6,10H2,1-2H3/p+1/t11-,16+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@H](C[C@@]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)(COCC5=CC=CC=C5)O)O
InChI: InChI=1S/C35H39NO7S/c1-26-17-19-30(20-18-26)44(39,40)36-32-31(37)21-35(38,25-41-22-27-11-5-2-6-12-27)34(43-24-29-15-9-4-10-16-29)33(32)42-23-28-13-7-3-8-14-28/h2-20,31-34,36-38H,21-25H2,1H3/t31-,32-,33+,34-,35-/m0/s1
SMILES: C1C2C([C@H]([C@H]([C@H](O2)O)O)O)O[C@H](O1)C3=CC=CC=C3
InChI: InChI=1S/C13H16O6/c14-9-10(15)12(16)18-8-6-17-13(19-11(8)9)7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8?,9-,10+,11?,12-,13-/m0/s1
SMILES: CCN1CC2([C@H]3C(C4[C@@H]1C3([C@@H]5C[C@]6(C([C@@H]5[C@@]4(C(C6OC)O)O)O)O)C(CC2O)OC)OC)COC
InChI: InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11-,12?,13?,14-,15?,16?,17-,18-,19?,20?,21?,22?,23-,24?,25-/m1/s1
SMILES: C1[C@@H]2[C@H]1[C@H]3C=C[C@@H]2[C@H]4[C@@H]3C(=O)N(C4=O)/N=C/C5=CC=C(O5)C6=CC=C(C=C6)F
InChI: InChI=1S/C22H17FN2O3/c23-12-3-1-11(2-4-12)18-8-5-13(28-18)10-24-25-21(26)19-14-6-7-15(17-9-16(14)17)20(19)22(25)27/h1-8,10,14-17,19-20H,9H2/b24-10+/t14-,15+,16-,17+,19-,20+
SMILES: CC1([C@H]([C@@H]([C@H](C1=O)CCCCCCC(=O)O)/C=C/C(CC2=CC3=CC=CC=C3S2)O)O)C
InChI: InChI=1S/C26H34O5S/c1-26(2)24(30)20(10-5-3-4-6-12-23(28)29)21(25(26)31)14-13-18(27)16-19-15-17-9-7-8-11-22(17)32-19/h7-9,11,13-15,18,20-21,25,27,31H,3-6,10,12,16H2,1-2H3,(H,28,29)/b14-13+/t18?,20-,21-,25+/m1/s1
SMILES: C1CSC2(S1)[C@@H]3[C@H](CC4=CC=CC=C24)C(=O)C5=C6C3=C(OC6=CC=C5)C7=CC=CC=C7
InChI: InChI=1S/C27H20O2S2/c28-25-18-10-6-12-21-22(18)23(26(29-21)16-7-2-1-3-8-16)24-19(25)15-17-9-4-5-11-20(17)27(24)30-13-14-31-27/h1-12,19,24H,13-15H2/t19-,24+/m0/s1
SMILES: CC1=CC(=CC=C1)NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H24N2O5/c1-12-6-5-7-14(10-12)21-17(23)11-27-20(26)13(2)22-18(24)15-8-3-4-9-16(15)19(22)25/h5-7,10,13,15-16H,3-4,8-9,11H2,1-2H3,(H,21,23)/t13-,15-,16+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@H]2CC(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N\OCC4=CN=C(C=C4)N5C=CN=N5)/CO2)C)C)(C)O
InChI: InChI=1S/C41H61N7O11/c1-11-32-41(8,53)33-17-30(44-27(6)49)23(2)18-40(7,55-22-29(21-54-33)45-56-20-28-12-13-34(42-19-28)48-15-14-43-46-48)37(25(4)35(50)26(5)38(52)58-32)59-39-36(51)31(47(9)10)16-24(3)57-39/h12-15,19,23-26,31-33,36-37,39,51,53H,11,16-18,20-22H2,1-10H3/b44-30?,45-29-/t23-,24-,25+,26-,31+,32-,33-,36-,37-,39+,40-,41-/m1/s1
SMILES: C1[C@@H]2C=C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)CC(=O)NC4=NN=C(S4)C(F)(F)F
InChI: InChI=1S/C14H11F3N4O3S/c15-14(16,17)12-19-20-13(25-12)18-7(22)4-21-10(23)8-5-1-2-6(3-5)9(8)11(21)24/h1-2,5-6,8-9H,3-4H2,(H,18,20,22)/t5-,6-,8-,9-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)[Te]C5=CC=C(C=C5)F)C)C
InChI: InChI=1S/C33H51FTe/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-9-24-21-27(35-26-12-10-25(34)11-13-26)17-19-32(24,4)31(28)18-20-33(29,30)5/h10-13,22-24,27-31H,6-9,14-21H2,1-5H3/t23-,24?,27?,28+,29-,30+,31+,32+,33-/m1/s1
SMILES: COC(=O)C1=C(C=C(C=C1)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C14H19NO8/c1-21-13(20)7-3-2-6(15)4-8(7)22-14-12(19)11(18)10(17)9(5-16)23-14/h2-4,9-12,14,16-19H,5,15H2,1H3/t9-,10-,11+,12-,14-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)C(=O)O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI: InChI=1S/C24H25NO9/c1-12(26)33-20-18(19(27)21(22(28)29)34-23(20)31-2)25-24(30)32-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-21,23,27H,11H2,1-2H3,(H,25,30)(H,28,29)/t18-,19-,20+,21-,23+/m0/s1
SMILES: [B-](F)(F)(F)F.CC1(O[C@H]([C@@H](O1)CP(C2=C(N=C(C=C2)OC)OC)C3=C(N=C(C=C3)OC)OC)CP(C4=C(N=C(C=C4)OC)OC)C5=C(N=C(C=C5)OC)OC)C.C1/C=C\CC/C=C\C1.[Rh]
InChI: InChI=1S/C35H44N4O10P2.C8H12.BF4.Rh/c1-35(2)48-21(19-50(23-11-15-27(40-3)36-31(23)44-7)24-12-16-28(41-4)37-32(24)45-8)22(49-35)20-51(25-13-17-29(42-5)38-33(25)46-9)26-14-18-30(43-6)39-34(26)47-10;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h11-18,21-22H,19-20H2,1-10H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t21-,22-;;;/m0.../s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]([C@@H]2C(=O)[O-])[C@]3(CC[C@@H](CC3=O)OC(=O)C)C)C
InChI: InChI=1S/C28H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-25(26(31)32)23(13-15-27(21,22)5)28(6)14-12-20(16-24(28)30)33-19(4)29/h17-18,20-23,25H,7-16H2,1-6H3,(H,31,32)/p-1/t18-,20+,21+,22+,23+,25-,27-,28-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)CCC(=O)O
InChI: InChI=1S/C39H37ClN4O8S/c1-5-52-27-8-6-7-22(33(27)47)32-20-10-11-21-31(37(50)43(35(21)48)14-13-30(45)46)24(20)16-25-36(49)44(38(51)39(25,32)3)29-17-26(41-42(29)4)34-18(2)23-15-19(40)9-12-28(23)53-34/h6-10,12,15,17,21,24-25,31-32,47H,5,11,13-14,16H2,1-4H3,(H,45,46)/t21-,24+,25-,31-,32+,39+/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)C/C=C\O[C@H]1C[C@@H]2[C@](C[C@@]([C@@H](O2)CCO[Si](C)(C)C(C)(C)C)(C)O[Si](C)(C)C(C)(C)C)(O[C@@H]1CCCOC(=O)C(C)(C)C)C
InChI: InChI=1S/C35H67O7Si2.3C4H9.Sn/c1-17-21-37-27-24-29-34(11,41-26(27)19-18-22-38-30(36)31(2,3)4)25-35(12,42-44(15,16)33(8,9)10)28(40-29)20-23-39-43(13,14)32(5,6)7;3*1-3-4-2;/h17,21,26-29H,1,18-20,22-25H2,2-16H3;3*1,3-4H2,2H3;/b21-17-;;;;/t26-,27+,28+,29-,34+,35-;;;;/m1..../s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)C3=CC=CC=C3OC)/C)[C@H](C)O
InChI: InChI=1S/C24H34O7/c1-13(9-18(26)17-7-5-6-8-19(17)29-4)10-20-23(28)22(27)16(12-30-20)11-21-24(31-21)14(2)15(3)25/h5-9,14-16,20-25,27-28H,10-12H2,1-4H3/b13-9+/t14-,15-,16-,20-,21-,22+,23-,24-/m0/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)OCC(C)(C)CC1=CC=CC=C1C[C@H]2[C@@H]3CC[C@H]([C@H]2CO)O3
InChI: InChI=1S/C27H46O3Si/c1-19(2)27(5,6)31(7,8)29-18-26(3,4)16-21-12-10-9-11-20(21)15-22-23(17-28)25-14-13-24(22)30-25/h9-12,19,22-25,28H,13-18H2,1-8H3/t22-,23+,24+,25-/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)Br)O)C(=O)N(C4=O)CCC(=O)O)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C30H27BrN2O7/c1-30-21(27(38)33(29(30)40)16-5-3-2-4-6-16)14-19-17(25(30)20-13-15(31)7-10-22(20)34)8-9-18-24(19)28(39)32(26(18)37)12-11-23(35)36/h2-8,10,13,18-19,21,24-25,34H,9,11-12,14H2,1H3,(H,35,36)/t18-,19+,21-,24-,25+,30+/m0/s1
SMILES: C[C@]12CC3=C(C=C1CCC4C2=CC[C@H]([C@@H]4C5=NN=C(O5)C6=CC=CC=C6)C(F)(F)F)N(N=C3)C7=CC=C(C=C7)F
InChI: InChI=1S/C31H26F4N4O/c1-30-16-19-17-36-39(22-10-8-21(32)9-11-22)26(19)15-20(30)7-12-23-24(30)13-14-25(31(33,34)35)27(23)29-38-37-28(40-29)18-5-3-2-4-6-18/h2-6,8-11,13,15,17,23,25,27H,7,12,14,16H2,1H3/t23?,25-,27-,30+/m1/s1
SMILES: COC(=O)[C@H]1[C@@H](C2(CCC1CC2)C(=O)OC)C(=O)NC3=CC=CC=C3
InChI: InChI=1S/C19H23NO5/c1-24-17(22)14-12-8-10-19(11-9-12,18(23)25-2)15(14)16(21)20-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,20,21)/t12?,14-,15-,19?/m1/s1
SMILES: CCCCC[C@@]1([C@H]2C(=O)OC[C@@]23[C@@H](O1)[C@@H](CO3)OC(=O)CCC4=CC=C(C=C4)OC)O
InChI: InChI=1S/C23H30O8/c1-3-4-5-12-23(26)19-21(25)28-14-22(19)20(31-23)17(13-29-22)30-18(24)11-8-15-6-9-16(27-2)10-7-15/h6-7,9-10,17,19-20,26H,3-5,8,11-14H2,1-2H3/t17-,19+,20+,22+,23-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)/C=C/CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C30H34O6/c1-32-30-29(35-22-25-16-9-4-10-17-25)28(34-21-24-14-7-3-8-15-24)27(26(36-30)18-11-19-31)33-20-23-12-5-2-6-13-23/h2-18,26-31H,19-22H2,1H3/b18-11+/t26-,27-,28+,29-,30+/m1/s1
SMILES: C1[C@@H]([C@]12[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N
InChI: InChI=1S/C8H15NO5/c9-4-1-8(4)7(13)6(12)5(11)3(2-10)14-8/h3-7,10-13H,1-2,9H2/t3-,4+,5-,6+,7-,8+/m1/s1
SMILES: C1=CC=C2C(=C1)C=C[C@@H]3N2[C@@H]([C@H](C34C(=O)C5=CC=CC=C5C4=O)C6=C(C=C(C=C6)Cl)Cl)C(=O)C7=CC=C(C=C7)F
InChI: InChI=1S/C33H20Cl2FNO3/c34-20-12-15-24(25(35)17-20)28-29(30(38)19-9-13-21(36)14-10-19)37-26-8-4-1-5-18(26)11-16-27(37)33(28)31(39)22-6-2-3-7-23(22)32(33)40/h1-17,27-29H/t27-,28+,29-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C18H23ClN2O4/c1-12-4-2-3-5-15(12)21-16(22)11-25-17(23)10-20-18(24)13-6-8-14(19)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3,(H,20,24)(H,21,22)/t12-,15+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=C(OCC2=O)NC3=CC=CC=C3
InChI: InChI=1S/C20H24N2O5/c1-13-7-5-6-10-15(13)22-17(24)12-27-20(25)18-16(23)11-26-19(18)21-14-8-3-2-4-9-14/h2-4,8-9,13,15,21H,5-7,10-12H2,1H3,(H,22,24)/t13-,15-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C17H18Cl2N2O3/c1-10-4-2-3-5-14(10)21-16(23)15(22)20(17(21)24)9-11-6-7-12(18)8-13(11)19/h6-8,10,14H,2-5,9H2,1H3/t10-,14+/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)[C@@H]2[C@@H]3[C@H]([C@H]4N2C5=CC=CC=C5C=C4)C(=O)NC3=O
InChI: InChI=1S/C22H18N2O4/c1-28-14-9-6-13(7-10-14)20(25)19-18-17(21(26)23-22(18)27)16-11-8-12-4-2-3-5-15(12)24(16)19/h2-11,16-19H,1H3,(H,23,26,27)/t16-,17-,18-,19-/m0/s1
SMILES: C=CCN1[C@H]([C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C1=O)C(=O)NC4CCCCC4)C(=O)NC5CCCC5
InChI: InChI=1S/C24H33N3O4/c1-2-14-27-20(22(29)26-16-10-6-7-11-16)24-13-12-17(31-24)18(19(24)23(27)30)21(28)25-15-8-4-3-5-9-15/h2,12-13,15-20H,1,3-11,14H2,(H,25,28)(H,26,29)/t17-,18+,19+,20+,24+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)SCC3=CC=CC=C3I)O)O)O
InChI: InChI=1S/C17H23IO8S/c18-9-4-2-1-3-8(9)7-27-17-15(23)13(21)11(6-25-17)26-16-14(22)12(20)10(19)5-24-16/h1-4,10-17,19-23H,5-7H2/t10-,11-,12+,13+,14-,15-,16+,17+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@H]([C@@H](CO)O)O)(C(=O)O)SC[C@@H](C2=CC=CC=C2)O)O
InChI: InChI=1S/C19H27NO9S/c1-10(22)20-15-12(23)7-19(18(27)28,29-17(15)16(26)13(24)8-21)30-9-14(25)11-5-3-2-4-6-11/h2-6,12-17,21,23-26H,7-9H2,1H3,(H,20,22)(H,27,28)/t12-,13+,14-,15+,16-,17+,19-/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)CN)CN(C)CC4=CC=CC=C4
InChI: InChI=1S/C28H34N2O3/c1-20-26(18-30(2)17-22-6-4-3-5-7-22)32-28(25-14-8-21(16-29)9-15-25)33-27(20)24-12-10-23(19-31)11-13-24/h3-15,20,26-28,31H,16-19,29H2,1-2H3/t20-,26+,27+,28+/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)NC(=O)C2=CC(=NN2CS(=O)(=O)N[C@H]3CCCC[C@@H]3OCC4=CC=CC=C4)C(=O)O)OCC5=CC=CC=C5
InChI: InChI=1S/C32H40N4O7S/c37-31(33-25-15-7-9-17-29(25)42-20-23-11-3-1-4-12-23)28-19-27(32(38)39)34-36(28)22-44(40,41)35-26-16-8-10-18-30(26)43-21-24-13-5-2-6-14-24/h1-6,11-14,19,25-26,29-30,35H,7-10,15-18,20-22H2,(H,33,37)(H,38,39)/t25-,26-,29-,30-/m0/s1
SMILES: CN(C)C1=CC=CC(=C1)[C@@]23CC[C@@H](C4=CC=CC=C42)[C@@]5([C@H]3CN(C5)C(=O)/C=C/C6=CC=CC=C6OC)C(=O)OC
InChI: InChI=1S/C34H36N2O4/c1-35(2)25-12-9-11-24(20-25)33-19-18-28(26-13-6-7-14-27(26)33)34(32(38)40-4)22-36(21-30(33)34)31(37)17-16-23-10-5-8-15-29(23)39-3/h5-17,20,28,30H,18-19,21-22H2,1-4H3/b17-16+/t28-,30-,33-,34-/m0/s1
SMILES: CCCCC(=O)NC1=CC=CC(=C1)[C@H]2C[C@H]3CN(CC[C@@H]3O2)C(=O)C4CCCC4
InChI: InChI=1S/C24H34N2O3/c1-2-3-11-23(27)25-20-10-6-9-18(14-20)22-15-19-16-26(13-12-21(19)29-22)24(28)17-7-4-5-8-17/h6,9-10,14,17,19,21-22H,2-5,7-8,11-13,15-16H2,1H3,(H,25,27)/t19-,21-,22+/m0/s1
SMILES: C[C@]12CCC3C(C1C[C@H](C2=C)O)[C@@H]([C@H](C4=C3C=CC(=C4)O)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
InChI: InChI=1S/C33H47F5O4S/c1-21-28(40)20-27-29-24(14-16-31(21,27)2)23-13-12-22(39)19-26(23)30(41)25(29)11-8-6-4-3-5-7-9-17-43(42)18-10-15-32(34,35)33(36,37)38/h12-13,19,24-25,27-30,39-41H,1,3-11,14-18,20H2,2H3/t24?,25-,27?,28+,29?,30+,31+,43?/m0/s1
SMILES: CSC1=CC=C(C=C1)[C@@H]2[C@@H]3C(=NC4=C2C(=O)N(N4)C5=CC=CC=C5)CCCC3=O
InChI: InChI=1S/C23H21N3O2S/c1-29-16-12-10-14(11-13-16)19-20-17(8-5-9-18(20)27)24-22-21(19)23(28)26(25-22)15-6-3-2-4-7-15/h2-4,6-7,10-13,19-20,25H,5,8-9H2,1H3/t19-,20-/m1/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C31H52O11/c1-27(2,3)22(32)37-16-17-18(39-23(33)28(4,5)6)19(40-24(34)29(7,8)9)20(41-25(35)30(10,11)12)21(38-17)42-26(36)31(13,14)15/h17-21H,16H2,1-15H3/t17-,18-,19+,20-,21+/m1/s1
SMILES: CC(=O)CCCC(=O)N(CCC1=C(C=CC(=C1)OC)OC)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C31H39IN2O8/c1-20(36)7-6-10-29(37)34(15-13-21-17-23(40-2)11-12-26(21)41-3)25-18-22(31(39)33-14-16-35)19-28(30(25)38)42-27-9-5-4-8-24(27)32/h4-5,8-9,11-12,17,19,25,28,30,35,38H,6-7,10,13-16,18H2,1-3H3,(H,33,39)/t25-,28+,30+/m1/s1
SMILES: CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(=O)[C@@H]([C@H](O4)CC)C
InChI: InChI=1S/C23H26O5/c1-6-8-13-11-16(24)27-22-17(13)21-14(9-10-23(4,5)28-21)20-18(22)19(25)12(3)15(7-2)26-20/h9-12,15H,6-8H2,1-5H3/t12-,15-/m1/s1
SMILES: COC1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OCC4=CC=C(C=C4)OC)N=[N+]=[N-]
InChI: InChI=1S/C22H25N3O6/c1-26-16-10-8-14(9-11-16)12-28-20-18(24-25-23)22(27-2)30-17-13-29-21(31-19(17)20)15-6-4-3-5-7-15/h3-11,17-22H,12-13H2,1-2H3/t17-,18-,19-,20-,21-,22?/m1/s1
SMILES: CC1=CC2=C(C=C[C@H]3N2[C@@H]([C@H](C34C(=O)C5=CC=CC=C5C4=O)C6=CC=C(C=C6)F)C(=O)C7=CC=CC=C7)C=C1
InChI: InChI=1S/C34H24FNO3/c1-20-11-12-21-15-18-28-34(32(38)25-9-5-6-10-26(25)33(34)39)29(22-13-16-24(35)17-14-22)30(36(28)27(21)19-20)31(37)23-7-3-2-4-8-23/h2-19,28-30H,1H3/t28-,29-,30+/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]5([C@@H]3C2=O)C6=C(C=CC(=C6)F)NC5=O)[N+](=O)[O-]
InChI: InChI=1S/C23H19FN4O5/c1-11-4-6-13(10-17(11)28(32)33)27-20(29)18-16-3-2-8-26(16)23(19(18)21(27)30)14-9-12(24)5-7-15(14)25-22(23)31/h4-7,9-10,16,18-19H,2-3,8H2,1H3,(H,25,31)/t16-,18+,19-,23+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCCC1=CC[C@@]2(C1)C[C@@H]3N(C2=O)[C@H]([C@@H](O3)C4=CC=CC=C4)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C
InChI: InChI=1S/C41H55NO4Si2/c1-39(2,3)47(7,8)44-27-25-31-24-26-41(28-31)29-36-42(38(41)43)35(37(46-36)32-18-12-9-13-19-32)30-45-48(40(4,5)6,33-20-14-10-15-21-33)34-22-16-11-17-23-34/h9-24,35-37H,25-30H2,1-8H3/t35-,36+,37-,41+/m0/s1
SMILES: C[C@@]1(C[C@@H]([C@]2(C[C@@H]1OC(=O)[C@@H]2OC(=O)C3=CC=CC=C3)NC(=O)C(Cl)(Cl)Cl)[C@H]4COC(O4)(C)C)O
InChI: InChI=1S/C23H26Cl3NO8/c1-20(2)32-11-14(35-20)13-9-21(3,31)15-10-22(13,27-19(30)23(24,25)26)16(18(29)33-15)34-17(28)12-7-5-4-6-8-12/h4-8,13-16,31H,9-11H2,1-3H3,(H,27,30)/t13-,14-,15+,16+,21+,22+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CC4=CC=C(C=C4)OC)[C@@]5(C2=O)[C@H]([C@@H]6C(=O)O[C@H]([C@H](N6[C@H]5C7=CC=C(C=C7)O)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)O
InChI: InChI=1S/C51H41N3O8/c1-31(34-12-6-3-7-13-34)52-50(60)53-41-29-22-33(19-18-32-20-27-39(61-2)28-21-32)30-40(41)51(49(53)59)42(47(56)57)44-48(58)62-45(36-16-10-5-11-17-36)43(35-14-8-4-9-15-35)54(44)46(51)37-23-25-38(55)26-24-37/h3-17,20-31,42-46,55H,1-2H3,(H,52,60)(H,56,57)/t31-,42-,43-,44-,45+,46+,51-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](N3[C@@H](C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C5=CC=CS5
InChI: InChI=1S/C25H17N3OS/c26-15-25(16-27)21-13-12-17-7-4-5-10-19(17)28(21)23(24(29)20-11-6-14-30-20)22(25)18-8-2-1-3-9-18/h1-14,21-23H/t21-,22+,23+/m1/s1
SMILES: CCOP(=O)([C@H]([C@H]1[C@@H](CC[C@@H]1C(=C)C)C)C(=O)OC(C)C)OCC
InChI: InChI=1S/C18H33O5P/c1-8-21-24(20,22-9-2)17(18(19)23-13(5)6)16-14(7)10-11-15(16)12(3)4/h13-17H,3,8-11H2,1-2,4-7H3/t14-,15-,16+,17-/m1/s1
SMILES: C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@H]([C@H](O3)[C@@H](CN)O)O)O)N)C#N
InChI: InChI=1S/C13H16N6O4/c14-1-5-3-19(12-7(5)11(16)17-4-18-12)13-9(22)8(21)10(23-13)6(20)2-15/h3-4,6,8-10,13,20-22H,2,15H2,(H2,16,17,18)/t6-,8-,9-,10-,13-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]([C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)SC2=CC=CC=C2
InChI: InChI=1S/C29H56O4SSi3/c1-27(2,3)35(10,11)31-23-21-30-26(34-22-19-17-16-18-20-22)25(33-37(14,15)29(7,8)9)24(23)32-36(12,13)28(4,5)6/h16-20,23-26H,21H2,1-15H3/t23-,24+,25-,26+/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)C(=CC(=O)[C@]4([C@H]3C5=CC(=C(C(=C5Br)Br)O)OC)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C39H35Br2NO6/c1-38(2,3)42-36(46)23-16-15-22-25(30(23)37(42)47)17-27-34(44)24(20-11-7-5-8-12-20)19-29(43)39(27,21-13-9-6-10-14-21)31(22)26-18-28(48-4)35(45)33(41)32(26)40/h5-15,18-19,23,25,27,30-31,45H,16-17H2,1-4H3/t23-,25+,27-,30-,31+,39-/m0/s1
SMILES: C[C@@H]1[C@H]2[C@@]1(C[C@@H]3CCC[C@H]2N3S(=O)(=O)C4=CC=C(C=C4)C)O
InChI: InChI=1S/C17H23NO3S/c1-11-6-8-14(9-7-11)22(20,21)18-13-4-3-5-15(18)16-12(2)17(16,19)10-13/h6-9,12-13,15-16,19H,3-5,10H2,1-2H3/t12-,13+,15-,16-,17+/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C)C(C)C
InChI: InChI=1S/C22H31NO5/c1-14(2)18-10-7-16(4)11-19(18)28-21(25)13-27-20(24)12-23-22(26)17-8-5-15(3)6-9-17/h5-6,8-9,14,16,18-19H,7,10-13H2,1-4H3,(H,23,26)/t16-,18-,19+/m1/s1
SMILES: C[C@@H]([C@@H]1[C@@H](C(=O)N1CC2=CC=CC=C2)N3[C@H](COC3=O)C(C)(C)C)O
InChI: InChI=1S/C19H26N2O4/c1-12(22)15-16(21-14(19(2,3)4)11-25-18(21)24)17(23)20(15)10-13-8-6-5-7-9-13/h5-9,12,14-16,22H,10-11H2,1-4H3/t12-,14+,15+,16-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)NC(=O)C[C@@H](C(=O)OC(C)(C)C)N)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O
InChI: InChI=1S/C30H52N4O17/c1-10-19(39)23(43)24(44)29(47-10)46-9-15-25(50-28-18(33-12(3)37)21(41)20(40)14(8-35)49-28)22(42)17(32-11(2)36)26(48-15)34-16(38)7-13(31)27(45)51-30(4,5)6/h10,13-15,17-26,28-29,35,39-44H,7-9,31H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/t10-,13-,14+,15+,17+,18+,19+,20+,21+,22+,23+,24-,25+,26+,28-,29+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC2([C@@H]1CCCCCCC(=O)OC)OCC(CO2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C
InChI: InChI=1S/C40H54O8/c1-5-6-11-22-34(47-30(2)41)25-26-35-36(23-16-7-8-17-24-38(43)44-4)40(27-37(35)48-31(3)42)45-28-39(29-46-40,32-18-12-9-13-19-32)33-20-14-10-15-21-33/h9-10,12-15,18-21,25-26,34-37H,5-8,11,16-17,22-24,27-29H2,1-4H3/b26-25+/t34-,35+,36+,37+/m0/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C(=O)O
InChI: InChI=1S/C25H17NO4/c27-22-20-19-15-10-4-6-12-17(15)25(24(29)30,18-13-7-5-11-16(18)19)21(20)23(28)26(22)14-8-2-1-3-9-14/h1-13,19-21H,(H,29,30)/t19?,20-,21+,25?/m0/s1
SMILES: C[C@]1([C@@H](N1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C(F)(F)F
InChI: InChI=1S/C16H15F3NOP/c1-15(16(17,18)19)14(20-15)22(21,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,20H,1H3/t14-,15-/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CCCC(=O)NCCCCCCO[N+](=O)[O-])CC[C@H](CCC2=CC=CC=C2)O)O
InChI: InChI=1S/C29H46N2O7/c32-24(17-16-23-12-6-5-7-13-23)18-19-26-25(27(33)22-28(26)34)14-8-1-2-9-15-29(35)30-20-10-3-4-11-21-38-31(36)37/h1,5-8,12-13,24-28,32-34H,2-4,9-11,14-22H2,(H,30,35)/b8-1-/t24-,25+,26+,27-,28+/m0/s1
SMILES: CN=C(NC[C@@H]1[C@H]([C@H]([C@@H](O1)C2=CN=CN2)O)O)NC#N
InChI: InChI=1S/C11H16N6O3/c1-13-11(16-4-12)15-3-7-8(18)9(19)10(20-7)6-2-14-5-17-6/h2,5,7-10,18-19H,3H2,1H3,(H,14,17)(H2,13,15,16)/t7-,8-,9-,10+/m1/s1
SMILES: CCCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C22H27NO4/c1-2-3-4-5-9-18(24)27-17-8-6-7-16(13-17)23-21(25)19-14-10-11-15(12-14)20(19)22(23)26/h6-8,13-15,19-20H,2-5,9-12H2,1H3/t14-,15+,19-,20-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NN=C(O2)C3=CC=CC(=C3)C
InChI: InChI=1S/C19H25N3O2S/c1-12-7-6-9-15(11-12)18-21-22-19(24-18)25-14(3)17(23)20-16-10-5-4-8-13(16)2/h6-7,9,11,13-14,16H,4-5,8,10H2,1-3H3,(H,20,23)/t13-,14+,16-/m0/s1
SMILES: CCCCNC(=S)N[C@@H]1CC[C@]2(CCN([C@H]2C1)CC3CC3C(=O)OCC)C4=CC(=C(C=C4)OC)OC.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C28H43N3O4S.C2HF3O2/c1-5-7-13-29-27(36)30-21-10-11-28(20-8-9-23(33-3)24(16-20)34-4)12-14-31(25(28)17-21)18-19-15-22(19)26(32)35-6-2;3-2(4,5)1(6)7/h8-9,16,19,21-22,25H,5-7,10-15,17-18H2,1-4H3,(H2,29,30,36);(H,6,7)/t19?,21-,22?,25+,28+;/m1./s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)F
InChI: InChI=1S/C24H19FN2O3/c1-15-6-5-9-19(14-15)26-23(28)20-21(16-10-12-17(25)13-11-16)27(30-22(20)24(26)29)18-7-3-2-4-8-18/h2-14,20-22H,1H3/t20-,21-,22-/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3CC(=C(C[C@H]3C2=O)C)C
InChI: InChI=1S/C18H21NO3/c1-4-22-14-7-5-13(6-8-14)19-17(20)15-9-11(2)12(3)10-16(15)18(19)21/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16-/m1/s1
SMILES: CC(C)(C)OC(=O)N1CC2=CC=CC=C2[C@@H]([C@H]1C(=O)O)C3=CC=CC=C3
InChI: InChI=1S/C21H23NO4/c1-21(2,3)26-20(25)22-13-15-11-7-8-12-16(15)17(18(22)19(23)24)14-9-5-4-6-10-14/h4-12,17-18H,13H2,1-3H3,(H,23,24)/t17-,18-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H](C(=O)N2C3=CC=C(C=C3)OC)O
InChI: InChI=1S/C17H17NO3/c1-11-3-5-12(6-4-11)15-16(19)17(20)18(15)13-7-9-14(21-2)10-8-13/h3-10,15-16,19H,1-2H3/t15-,16+/m0/s1
SMILES: C[NH+](CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)CC(=O)N2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C21H28F3N3O3/c1-26(14-20(29)27-12-4-6-15-5-2-3-7-18(15)27)13-19(28)25-16-8-10-17(11-9-16)30-21(22,23)24/h8-11,15,18H,2-7,12-14H2,1H3,(H,25,28)/p+1/t15-,18+/m1/s1
SMILES: CC[C@@]1(CN(C[C@@H]1O)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C21H27NO5S/c1-5-21(16-8-11-18(26-3)19(12-16)27-4)14-22(13-20(21)23)28(24,25)17-9-6-15(2)7-10-17/h6-12,20,23H,5,13-14H2,1-4H3/t20-,21+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC2=NC(=C([C@H](C2C1=O)C3=CC4=C(C=C3)OCO4)C(=O)OCC)C)C5=CC=C(C=C5)OC
InChI: InChI=1S/C30H31NO8/c1-5-36-29(33)24-16(3)31-21-14-20(17-7-10-19(35-4)11-8-17)26(30(34)37-6-2)28(32)27(21)25(24)18-9-12-22-23(13-18)39-15-38-22/h7-13,20,25-27H,5-6,14-15H2,1-4H3/t20-,25-,26-,27?/m1/s1
SMILES: CC1([C@H]([C@H](N[C@@H]([C@@H]1[N+](=O)[O-])C2=CN=CC=C2)C3=CN=CC=C3)[N+](=O)[O-])C
InChI: InChI=1S/C17H19N5O4/c1-17(2)15(21(23)24)13(11-5-3-7-18-9-11)20-14(16(17)22(25)26)12-6-4-8-19-10-12/h3-10,13-16,20H,1-2H3/t13-,14-,15+,16+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OCCO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C36H40O7/c37-21-22-39-36-35(42-26-31-19-11-4-12-20-31)34(41-25-30-17-9-3-10-18-30)33(40-24-29-15-7-2-8-16-29)32(43-36)27-38-23-28-13-5-1-6-14-28/h1-20,32-37H,21-27H2/t32-,33-,34+,35-,36?/m1/s1