EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CCC[C@]([C@]4(CC3)C)(C)O
InChI: InChI=1S/C21H32O2/c1-13-11-14-12-15(22)6-7-16(14)17-8-10-20(2)18(19(13)17)5-4-9-21(20,3)23/h12-13,16-19,23H,4-11H2,1-3H3/t13-,16+,17-,18+,19-,20+,21+/m1/s1
SMILES: CC1=CN=C(O1)OC2=CC=C(C=C2)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4
InChI: InChI=1S/C17H19N3O3/c1-10-9-18-17(22-10)23-13-5-2-11(3-6-13)16(21)20-15-8-12-4-7-14(15)19-12/h2-3,5-6,9,12,14-15,19H,4,7-8H2,1H3,(H,20,21)/t12-,14+,15-/m1/s1
SMILES: CC1=CC[C@@H]([C@@H](C1)C(=O)NC2=C(C(=CC=C2)Cl)C)C(=O)O
InChI: InChI=1S/C16H18ClNO3/c1-9-6-7-11(16(20)21)12(8-9)15(19)18-14-5-3-4-13(17)10(14)2/h3-6,11-12H,7-8H2,1-2H3,(H,18,19)(H,20,21)/t11-,12+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](N(OC12C3=CC=CC=C3NC2=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C25H21ClN2O4/c1-2-31-23(29)21-22(16-12-14-17(26)15-13-16)28(18-8-4-3-5-9-18)32-25(21)19-10-6-7-11-20(19)27-24(25)30/h3-15,21-22H,2H2,1H3,(H,27,30)/t21-,22+,25?/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)O)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)C(=O)N
InChI: InChI=1S/C22H18BrCl2N3O6/c23-8-27-18(32)21(24)7-13-11(5-6-12-14(13)17(31)28(16(12)30)20(26)34)15(22(21,25)19(27)33)9-1-3-10(29)4-2-9/h1-5,12-15,29H,6-8H2,(H2,26,34)/t12-,13+,14-,15-,21+,22-/m0/s1
SMILES: C1CO[C@@H]2[C@H]1[C@@H](C3=C(O2)C=CC(=C3)Cl)NC4=CC=CC=C4
InChI: InChI=1S/C17H16ClNO2/c18-11-6-7-15-14(10-11)16(13-8-9-20-17(13)21-15)19-12-4-2-1-3-5-12/h1-7,10,13,16-17,19H,8-9H2/t13-,16+,17+/m1/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)NC(=O)CCCCCNC(=O)C)CN4CCCCCCC4
InChI: InChI=1S/C34H49N3O5/c1-25-31(23-37-21-9-4-3-5-10-22-37)41-34(42-33(25)28-14-12-27(24-38)13-15-28)29-16-18-30(19-17-29)36-32(40)11-7-6-8-20-35-26(2)39/h12-19,25,31,33-34,38H,3-11,20-24H2,1-2H3,(H,35,39)(H,36,40)/t25-,31+,33+,34+/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]([C@H]([C@H]([C@@H]1C2=C(C(=NN2)C#N)N)O)O)CO
InChI: InChI=1S/C14H21N5O5/c1-14(2,3)24-13(23)19-7(5-20)11(21)12(22)10(19)9-8(16)6(4-15)17-18-9/h7,10-12,20-22H,5,16H2,1-3H3,(H,17,18)/t7-,10+,11-,12+/m1/s1
SMILES: C/C/1=C\CC[C@@]2([C@H](O2)C[C@@H]3[C@H](C/C(=C/CC1)/C)OC(=O)[C@H]3COC)C
InChI: InChI=1S/C21H32O4/c1-14-7-5-8-15(2)11-18-16(17(13-23-4)20(22)24-18)12-19-21(3,25-19)10-6-9-14/h8-9,16-19H,5-7,10-13H2,1-4H3/b14-9+,15-8+/t16-,17-,18-,19+,21+/m0/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@@H]([C@](O2)(/C=C(/C)\C#N)N3C=NC4=C(N=CN=C43)NC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C36H58N6O7Si2/c1-21(2)50(22(3)4)45-18-26-28(48-51(49-50,23(5)6)24(7)8)29(46-33(44)35(13,14)15)36(47-26,16-25(9)17-37)42-20-40-27-30(38-19-39-31(27)42)41-32(43)34(10,11)12/h16,19-24,26,28-29H,18H2,1-15H3,(H,38,39,41,43)/b25-16-/t26-,28-,29+,36-/m1/s1
SMILES: CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)COC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C
InChI: InChI=1S/C26H36N2O15/c1-10(29)27-19-23(39-15(6)33)21(38-14(5)32)17(8-35-12(3)30)42-26(19)43-22-18(9-36-13(4)31)41-25-20(28-11(2)37-25)24(22)40-16(7)34/h17-26H,8-9H2,1-7H3,(H,27,29)/t17-,18-,19-,20-,21-,22-,23-,24-,25+,26+/m1/s1
SMILES: C[C@@H]1CC[C@@]2(C([C@@]1(C)CC3=C(C(=O)C=C(C3=O)OC)O)CCCC2=C)C
InChI: InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14,18,24H,1,6-10,12H2,2-5H3/t14-,18?,21+,22+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]([C@@H](C=CO1)OCC2=CC=CC=C2)O
InChI: InChI=1S/C19H30O4Si/c1-19(2,3)24(4,5)23-14-17-18(20)16(11-12-21-17)22-13-15-9-7-6-8-10-15/h6-12,16-18,20H,13-14H2,1-5H3/t16-,17-,18-/m1/s1
SMILES: C1=CC=C2C(=C1)[C@]3([C@H]4[C@@H]([C@H]([NH2+]3)CC5=CC(=C(C=C5)O)O)C(=O)N(C4=O)C6=CC=C(C=C6)Cl)C(=O)N2
InChI: InChI=1S/C26H20ClN3O5/c27-14-6-8-15(9-7-14)30-23(33)21-18(11-13-5-10-19(31)20(32)12-13)29-26(22(21)24(30)34)16-3-1-2-4-17(16)28-25(26)35/h1-10,12,18,21-22,29,31-32H,11H2,(H,28,35)/p+1/t18-,21-,22+,26+/m1/s1
SMILES: C1=CC=C(C=C1)CCCOC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI: InChI=1S/C19H23N5O5/c20-16-13-17(24(10-21-13)18-15(27)14(26)12(9-25)29-18)23-19(22-16)28-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12,14-15,18,25-27H,4,7-9H2,(H2,20,22,23)/t12-,14-,15-,18-/m1/s1
SMILES: C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.OP(=O)(O)O
InChI: InChI=1S/3C19H20FNO3.H3O4P/c3*20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;1-5(2,3)4/h3*1-6,9,14,17,21H,7-8,10-12H2;(H3,1,2,3,4)/t3*14-,17-;/m000./s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)OCC(=O)NC3=CC(=C(C=C3Cl)Cl)Cl
InChI: InChI=1S/C17H18Cl3NO3/c18-12-6-14(20)15(7-13(12)19)21-16(22)8-24-17(23)5-11-4-9-1-2-10(11)3-9/h6-7,9-11H,1-5,8H2,(H,21,22)/t9-,10+,11+/m0/s1
SMILES: C1[C@H]2[C@@]13C4=CC=CC=C4C(=O)C=C3N(C2)C5=CC=C(C=C5)F
InChI: InChI=1S/C19H14FNO/c20-13-5-7-14(8-6-13)21-11-12-10-19(12)16-4-2-1-3-15(16)17(22)9-18(19)21/h1-9,12H,10-11H2/t12-,19-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C)O[C@H]2C=C[C@H]3[C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)OC(=O)C)CCN4C)C(=O)OC)OC(=O)C
InChI: InChI=1S/C32H37NO13/c1-14(34)40-21-9-7-18-13-20-19-8-10-22(29-32(19,11-12-33(20)5)23(18)24(21)45-29)44-31-28(43-17(4)37)26(42-16(3)36)25(41-15(2)35)27(46-31)30(38)39-6/h7-10,19-20,22,25-29,31H,11-13H2,1-6H3/t19-,20+,22-,25-,26-,27-,28+,29-,31-,32-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@]34[C@@]2([C@H]5C6=CC=CC=C6[C@@H]3C7=C5C(=C(C(=C7F)F)F)F)C(=O)OC4=O
InChI: InChI=1S/C23H12F4O3/c24-16-12-13(17(25)19(27)18(16)26)15-11-4-2-1-3-10(11)14(12)22-8-5-6-9(7-8)23(15,22)21(29)30-20(22)28/h1-6,8-9,14-15H,7H2/t8-,9+,14-,15+,22-,23-/m0/s1
SMILES: COC(=O)C(CC#CC1=CC2=C(C=C1)N(C(=O)[C@]23[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCC=C)C(=O)OCC8=CC=C(C=C8)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C54H48N4O14/c1-4-27-55-48(60)43-45-51(63)72-46(36-16-9-6-10-17-36)44(35-14-7-5-8-15-35)57(45)47(37-18-12-19-39(31-37)70-29-28-59)54(43)41-30-33(13-11-20-40(49(61)68-2)50(62)69-3)23-26-42(41)56(52(54)64)53(65)71-32-34-21-24-38(25-22-34)58(66)67/h4-10,12,14-19,21-26,30-31,40,43-47,59H,1,20,27-29,32H2,2-3H3,(H,55,60)/t43-,44-,45-,46+,47+,54-/m0/s1
SMILES: CC(=O)[C@]12C[C@@H]([C@H]1C3=CC=CC=C3OC2=O)C4=CC=CC=C4
InChI: InChI=1S/C19H16O3/c1-12(20)19-11-15(13-7-3-2-4-8-13)17(19)14-9-5-6-10-16(14)22-18(19)21/h2-10,15,17H,11H2,1H3/t15-,17-,19-/m1/s1
SMILES: CC1=NC(=CS1)CC(=O)C2=C(C=C(C=C2)OC[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O
InChI: InChI=1S/C19H23NO8S/c1-9-20-10(8-29-9)4-13(22)12-3-2-11(5-14(12)23)27-7-16-18(25)19(26)17(24)15(6-21)28-16/h2-3,5,8,15-19,21,23-26H,4,6-7H2,1H3/t15-,16-,17+,18+,19+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N
InChI: InChI=1S/C20H27N3O5S/c1-11-4-3-5-15(12(11)2)23-9-13(8-17(23)25)20(27)28-10-16(24)22-19-14(18(21)26)6-7-29-19/h6-7,11-13,15H,3-5,8-10H2,1-2H3,(H2,21,26)(H,22,24)/t11-,12+,13+,15-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](N(C1=O)C2=CC=C(C=C2)C(=O)O[Si](C)(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H25NO6Si/c1-14(24)28-20-19(15-8-12-18(27-2)13-9-15)23(21(20)25)17-10-6-16(7-11-17)22(26)29-30(3,4)5/h6-13,19-20H,1-5H3/t19-,20-/m0/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=C(C=C6)OCC7=CC=CC=C7)O)C(=O)N(C5=O)C8=CC=C(C=C8)NC9=CC=CC=C9)C(=O)N(C3=O)NC1=C(C=C(C=C1)Cl)Cl
InChI: InChI=1S/C52H42Cl2N4O7/c1-64-36-19-12-31(13-20-36)52-42(49(61)58(51(52)63)56-44-25-14-32(53)26-43(44)54)28-41-38(47(52)39-22-21-37(27-45(39)59)65-29-30-8-4-2-5-9-30)23-24-40-46(41)50(62)57(48(40)60)35-17-15-34(16-18-35)55-33-10-6-3-7-11-33/h2-23,25-27,40-42,46-47,55-56,59H,24,28-29H2,1H3/t40-,41+,42-,46-,47+,52+/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3
InChI: InChI=1S/C21H27N3O2S2/c25-17(24-10-9-13-5-1-2-6-14(13)11-24)12-27-21-22-19(26)18-15-7-3-4-8-16(15)28-20(18)23-21/h13-14H,1-12H2,(H,22,23,26)/t13-,14+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@@H]([C@H](O1)CO)OCC2=CC=CC=C2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI: InChI=1S/C35H38O7/c1-37-29-18-14-27(15-19-29)35(26-12-8-5-9-13-26,28-16-20-30(38-2)21-17-28)41-24-31-33(32(22-36)42-34(31)39-3)40-23-25-10-6-4-7-11-25/h4-21,31-34,36H,22-24H2,1-3H3/t31-,32-,33+,34+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)/C#N
InChI: InChI=1S/C25H25N5O/c1-18-8-5-6-12-23(18)28-25(31)20(15-26)14-21-17-30(22-10-3-2-4-11-22)29-24(21)19-9-7-13-27-16-19/h2-4,7,9-11,13-14,16-18,23H,5-6,8,12H2,1H3,(H,28,31)/b20-14+/t18-,23+/m0/s1
SMILES: CCCCC[C@H](/C=C/[C@@H]1[C@H]2C[C@H](C[C@H]2C[C@H]1OC(=O)C3=CC=CC=C3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)OC(=O)C
InChI: InChI=1S/C41H52O5Si/c1-6-7-11-20-33(44-30(2)42)25-26-37-38-29-34(27-32(38)28-39(37)45-40(43)31-18-12-8-13-19-31)46-47(41(3,4)5,35-21-14-9-15-22-35)36-23-16-10-17-24-36/h8-10,12-19,21-26,32-34,37-39H,6-7,11,20,27-29H2,1-5H3/b26-25+/t32-,33+,34-,37+,38-,39+/m0/s1
SMILES: CC1=CC(=CC(=C1)NC(=S)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC(=O)N)C
InChI: InChI=1S/C17H23N3O4S/c1-9-3-10(2)5-11(4-9)19-17(25)20-12-6-23-16-13(7-24-15(12)16)22-8-14(18)21/h3-5,12-13,15-16H,6-8H2,1-2H3,(H2,18,21)(H2,19,20,25)/t12-,13+,15+,16+/m0/s1
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])CCl)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C13H16ClNO8/c14-4-6-3-7(15(20)21)1-2-8(6)22-13-12(19)11(18)10(17)9(5-16)23-13/h1-3,9-13,16-19H,4-5H2/t9-,10-,11+,12-,13+/m1/s1
SMILES: CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC5=CC=CC=C5C=C4)CCC(=O)N6CC[C@]7(CCCC[C@@H]7C6)O
InChI: InChI=1S/C34H33NO5/c1-21-26(11-12-32(36)35-15-14-34(38)13-5-4-8-25(34)19-35)33(37)40-31-18-30-28(17-27(21)31)29(20-39-30)24-10-9-22-6-2-3-7-23(22)16-24/h2-3,6-7,9-10,16-18,20,25,38H,4-5,8,11-15,19H2,1H3/t25-,34+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O1)O[Si](C)(C)C(C)(C)C)OC)CI)C
InChI: InChI=1S/C16H31IO5Si/c1-15(2,3)23(7,8)22-13-12-11(20-16(4,5)21-12)10(9-17)19-14(13)18-6/h10-14H,9H2,1-8H3/t10-,11-,12-,13-,14-/m1/s1
SMILES: C[N+]1=CC=C(C=C1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/OCC(=O)O)/C4=CSC(=N4)N)SC2)C(=O)[O-]
InChI: InChI=1S/C21H20N6O7S3/c1-26-4-2-11(3-5-26)35-7-10-8-36-19-15(18(31)27(19)16(10)20(32)33)24-17(30)14(25-34-6-13(28)29)12-9-37-21(22)23-12/h2-5,9,15,19H,6-8H2,1H3,(H4-,22,23,24,28,29,30,32,33)/b25-14+/t15-,19-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C27H27N3O6/c1-17(18-9-3-2-4-10-18)28-25(33)21-13-7-8-14-22(21)29-23(31)16-36-24(32)15-30-26(34)19-11-5-6-12-20(19)27(30)35/h2-10,13-14,17,19-20H,11-12,15-16H2,1H3,(H,28,33)(H,29,31)/t17-,19-,20+/m1/s1
SMILES: C[C@]12C=C[C@](O1)([C@@H]3[C@@H]2C(=O)N(C3=O)C4CCCC4)C
InChI: InChI=1S/C15H19NO3/c1-14-7-8-15(2,19-14)11-10(14)12(17)16(13(11)18)9-5-3-4-6-9/h7-11H,3-6H2,1-2H3/t10-,11-,14-,15+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](N[C@H]1C(C(CO)O)O)(C(=O)O)O)O
InChI: InChI=1S/C11H20N2O8/c1-4(15)12-7-5(16)2-11(21,10(19)20)13-8(7)9(18)6(17)3-14/h5-9,13-14,16-18,21H,2-3H2,1H3,(H,12,15)(H,19,20)/t5-,6?,7+,8+,9?,11+/m0/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl)C
InChI: InChI=1S/C25H33ClN2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(29)30-23)16-27-9-11-28(12-10-27)19-7-3-6-18(26)13-19/h3,6-7,13-14,17,20-21,23H,4-5,8-12,15-16H2,1-2H3/p+1/t17-,20+,21-,23+,25+/m0/s1
SMILES: CCCC[C@@H]1[C@@H](OC(=O)C1=C)C[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C31H46O4/c1-6-7-10-25-21(4)30(34)35-29(25)16-19(2)26-13-14-27-22(9-8-15-31(26,27)5)11-12-23-17-24(32)18-28(33)20(23)3/h11-12,19,24-29,32-33H,3-4,6-10,13-18H2,1-2,5H3/b22-11+,23-12-/t19-,24-,25+,26-,27+,28+,29+,31-/m1/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCCO)[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC[C@@H](C8=CC=CC=C8)O
InChI: InChI=1S/C52H50N4O10/c1-31(2)42(48(61)65-3)54-51(64)55-39-27-22-32(15-13-14-28-57)29-38(39)52(50(55)63)41(47(60)53-30-40(59)33-16-7-4-8-17-33)44-49(62)66-45(35-20-11-6-12-21-35)43(34-18-9-5-10-19-34)56(44)46(52)36-23-25-37(58)26-24-36/h4-12,16-27,29,31,40-46,57-59H,14,28,30H2,1-3H3,(H,53,60)(H,54,64)/t40-,41-,42-,43-,44-,45+,46+,52-/m0/s1
SMILES: CC(C)(C)C1=NC(=NC=C1)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=S)NC4=CC=C(C=C4)N(C)C
InChI: InChI=1S/C23H32N6O2S/c1-23(2,3)18-10-11-24-21(28-18)26-16-12-30-20-17(13-31-19(16)20)27-22(32)25-14-6-8-15(9-7-14)29(4)5/h6-11,16-17,19-20H,12-13H2,1-5H3,(H,24,26,28)(H2,25,27,32)/t16-,17-,19+,20+/m0/s1
SMILES: CN/C(=[N+]\1/[C@@H]([C@@H]2CCC/C(=C\C3=CC=CC=C3)/C2=N1)C4=CC=CC=C4)/SC.[I-]
InChI: InChI=1S/C23H25N3S.HI/c1-24-23(27-2)26-22(18-12-7-4-8-13-18)20-15-9-14-19(21(20)25-26)16-17-10-5-3-6-11-17;/h3-8,10-13,16,20,22H,9,14-15H2,1-2H3;1H/b19-16+;/t20-,22-;/m1./s1
SMILES: CC1=CN(C(=O)N=C1N)[C@@H]2CC=C(O[C@@H]2CO)P(=O)(O)O
InChI: InChI=1S/C11H16N3O6P/c1-6-4-14(11(16)13-10(6)12)7-2-3-9(21(17,18)19)20-8(7)5-15/h3-4,7-8,15H,2,5H2,1H3,(H2,12,13,16)(H2,17,18,19)/t7-,8-/m1/s1
SMILES: CC(C)N1C(=O)N(C(=O)C12CC3CCC(C2)N3C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)C(=O)C6CCCC6)CCOC
InChI: InChI=1S/C32H46N4O4/c1-22(2)36-31(39)34(15-16-40-3)30(38)32(36)17-26-13-14-27(18-32)35(26)20-25-19-33(29(37)24-11-7-8-12-24)21-28(25)23-9-5-4-6-10-23/h4-6,9-10,22,24-28H,7-8,11-21H2,1-3H3/t25-,26?,27?,28-,32?/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC)OC1[C@@H]([C@H](C([C@H]([C@H]1OCOC)OCOC)OCOC)OCOC)OCOC)OC(=O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C52H101O18P/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45(53)62-37-44(69-46(54)36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)38-68-71(55,61-8)70-52-50(66-42-59-6)48(64-40-57-4)47(63-39-56-3)49(65-41-58-5)51(52)67-43-60-7/h44,47-52H,9-43H2,1-8H3/t44-,47?,48-,49+,50-,51-,52?,71?/m1/s1
SMILES: C1[C@@H]2[C@H]([C@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C=CC(=C4)C(=O)[O-])N[C@H]2C5=CC=CC=C5Cl
InChI: InChI=1S/C25H20Cl2N2O4S/c26-17-6-2-1-5-14(17)24-16-12-21(34-20-8-4-3-7-19(20)29(32)33)23(27)22(16)15-11-13(25(30)31)9-10-18(15)28-24/h1-11,16,21-24,28H,12H2,(H,30,31)/p-1/t16-,21+,22-,23+,24+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(C[C@]([14CH2]4)(C#C)O)C
InChI: InChI=1S/C22H30O2/c1-5-21(23)13-15-7-8-16-17(19(15,3)14-21)9-11-20(4)18(16)10-12-22(20,24)6-2/h1-2,15-18,23-24H,7-14H2,3-4H3/t15-,16+,17-,18-,19-,20-,21+,22-/m0/s1/i13+2
SMILES: C1C2[C@@H]3[C@@H]([C@H]3C(=O)C4=CC=C(C=C4)Cl)C(=O)C(O1)O2
InChI: InChI=1S/C14H11ClO4/c15-7-3-1-6(2-4-7)12(16)10-9-8-5-18-14(19-8)13(17)11(9)10/h1-4,8-11,14H,5H2/t8?,9-,10-,11-,14?/m0/s1
SMILES: C[C@H]1[C@@H]2CC[C@@]([C@@H]([C@H]2OC1=O)C(=C)C)(C)C=C
InChI: InChI=1S/C15H22O2/c1-6-15(5)8-7-11-10(4)14(16)17-13(11)12(15)9(2)3/h6,10-13H,1-2,7-8H2,3-5H3/t10-,11-,12+,13-,15+/m0/s1
SMILES: C1=CC=C2C(=C1)NC(=N2)CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)N
InChI: InChI=1S/C18H20N8O3/c19-13-15(28)11(6-27)29-18(13)26-8-23-14-16(21-7-22-17(14)26)20-5-12-24-9-3-1-2-4-10(9)25-12/h1-4,7-8,11,13,15,18,27-28H,5-6,19H2,(H,24,25)(H,20,21,22)/t11-,13-,15-,18-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](N=C(NC1=O)N2CCC3=CC=CC=C32)C4=CC=CO4
InChI: InChI=1S/C19H19N3O4/c1-2-25-18(24)15-16(14-8-5-11-26-14)20-19(21-17(15)23)22-10-9-12-6-3-4-7-13(12)22/h3-8,11,15-16H,2,9-10H2,1H3,(H,20,21,23)/t15-,16-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[Si]2(CCC2)C(C)C(=O)OC)C(C)C
InChI: InChI=1S/C17H32O3Si/c1-12(2)15-8-7-13(3)11-16(15)20-21(9-6-10-21)14(4)17(18)19-5/h12-16H,6-11H2,1-5H3/t13-,14?,15+,16-/m1/s1
SMILES: C[C@H](C[C@H]1C[C@@](C(=O)N1CC2=CC=C(C=C2)OC)(C)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C/5\C[C@H](C[C@@H](C5=C)O)O)C
InChI: InChI=1S/C35H49NO5/c1-22(17-27-20-35(4,40)33(39)36(27)21-24-8-12-29(41-5)13-9-24)30-14-15-31-25(7-6-16-34(30,31)3)10-11-26-18-28(37)19-32(38)23(26)2/h8-13,22,27-28,30-32,37-38,40H,2,6-7,14-21H2,1,3-5H3/b25-10+,26-11-/t22-,27+,28-,30-,31+,32+,34-,35-/m1/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)OCC6=CC=CC=C6F)OCC=C)CCCCO)CCCCO)C(=O)OCC7=CC=CC=C7
InChI: InChI=1S/C52H60FN3O10/c1-3-26-55(51(59)63-33-36-14-6-5-7-15-36)48-32-46(54-65-34-37-20-22-40(23-21-37)56(60)61)43-30-38(16-10-12-27-57)42(18-11-13-28-58)49-44-31-41(62-35-39-17-8-9-19-45(39)53)24-25-47(44)66-52(48,50(43)49)64-29-4-2/h4-9,14-15,17,19-25,30-31,38,42,48-50,57-58H,2-3,10-13,16,18,26-29,32-35H2,1H3/t38-,42+,48-,49+,50+,52+/m0/s1
SMILES: CC[C@]1([C@@H]2CCC3=C[C@]([C@@H](C[C@@H]3[C@@]2([C@@H](CC1=O)O)C)O)(C)C=C)C
InChI: InChI=1S/C21H32O3/c1-6-19(3)12-13-8-9-15-20(4,7-2)17(23)11-18(24)21(15,5)14(13)10-16(19)22/h6,12,14-16,18,22,24H,1,7-11H2,2-5H3/t14-,15-,16+,18+,19-,20-,21-/m0/s1
SMILES: C1CN2C[C@@H]([C@@H]1C[C@@H]2CN3C=C(N=N3)COC4=CC=CC=C4)C(=O)NC5CC5
InChI: InChI=1S/C21H27N5O2/c27-21(22-16-6-7-16)20-13-25-9-8-15(20)10-18(25)12-26-11-17(23-24-26)14-28-19-4-2-1-3-5-19/h1-5,11,15-16,18,20H,6-10,12-14H2,(H,22,27)/t15-,18+,20-/m0/s1
SMILES: C[C@@H]1C[C@H]([C@@H](C(=C)C1)CC2=CC(=C(C=C2O[Si](C)(C)C(C)(C)C)Br)OC)C
InChI: InChI=1S/C23H37BrO2Si/c1-15-10-16(2)19(17(3)11-15)12-18-13-22(25-7)20(24)14-21(18)26-27(8,9)23(4,5)6/h13-15,17,19H,2,10-12H2,1,3-9H3/t15-,17+,19+/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2OC(=O)C[N+]3=CC=CC=C3
InChI: InChI=1S/C17H24NO2/c1-16(2)13-7-8-17(16,3)14(11-13)20-15(19)12-18-9-5-4-6-10-18/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3/q+1/t13-,14+,17+/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(C)[C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)[N+](=O)[O-])OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C52H75N3O11/c1-4-6-7-8-9-10-11-12-13-19-33-62-51(58)54(3)47-37-45(53-66-48-26-16-20-32-61-48)43-34-38(22-14-17-29-56)42(25-15-18-30-57)49-44-36-41(64-40-24-21-23-39(35-40)55(59)60)27-28-46(44)65-52(47,50(43)49)63-31-5-2/h5,21,23-24,27-28,34-36,38,42,47-50,56-57H,2,4,6-20,22,25-26,29-33,37H2,1,3H3/t38-,42+,47-,48?,49+,50+,52+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2C[C@@H]3[C@@H](CCCC3(C(=O)OC)C(=O)OC)CN2
InChI: InChI=1S/C20H27NO5/c1-24-15-8-6-13(7-9-15)17-11-16-14(12-21-17)5-4-10-20(16,18(22)25-2)19(23)26-3/h6-9,14,16-17,21H,4-5,10-12H2,1-3H3/t14-,16+,17+/m0/s1
SMILES: COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=CC=N4
InChI: InChI=1S/C19H26N6O2/c1-27-9-7-21-19(26)16-12-24-8-5-14(16)10-15(24)11-25-13-18(22-23-25)17-4-2-3-6-20-17/h2-4,6,13-16H,5,7-12H2,1H3,(H,21,26)/t14-,15+,16-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)OP(=O)(O)O
InChI: InChI=1S/C11H15N2O10P/c1-5(14)21-4-6-9(23-24(18,19)20)8(16)10(22-6)13-3-2-7(15)12-11(13)17/h2-3,6,8-10,16H,4H2,1H3,(H,12,15,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
SMILES: CC(=O)N1C2=C(C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)C=C(C1=N)C#N
InChI: InChI=1S/C27H33N3O3/c1-15(31)30-24-17(11-18(14-28)25(30)29)12-23-21-6-5-19-13-20(33-16(2)32)7-9-26(19,3)22(21)8-10-27(23,24)4/h5,11,20-23,29H,6-10,12-13H2,1-4H3/t20-,21+,22-,23-,26-,27-/m0/s1
SMILES: B1(O[C@H]([C@H]([C@H](O1)[C@H](C)O[Si](C)(C)C(C)(C)C)C)C2=CC=CC=C2)C3CCCCC3
InChI: InChI=1S/C24H41BO3Si/c1-18-22(19(2)28-29(6,7)24(3,4)5)26-25(21-16-12-9-13-17-21)27-23(18)20-14-10-8-11-15-20/h8,10-11,14-15,18-19,21-23H,9,12-13,16-17H2,1-7H3/t18-,19-,22-,23+/m0/s1
SMILES: CC1(C[C@]2(CCO1)[C@@H](CC(=O)O2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)C
InChI: InChI=1S/C18H22N2O7/c1-17(2)10-18(6-7-26-17)12(9-15(21)27-18)16(22)19-13-8-11(20(23)24)4-5-14(13)25-3/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,19,22)/t12-,18+/m0/s1
SMILES: C[C@H](CC/C=C(\C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI: InChI=1S/C30H48O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24-25,31,33H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,25+,28-,29-,30+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=C(C=CC=C7OC)O)Cl)C8=CC=C(C=C8)F)Cl
InChI: InChI=1S/C43H35Cl2FN2O8/c1-54-28-17-20-33(55-2)24(21-28)10-7-23-8-13-26(14-9-23)47-38(50)30-19-18-29-31(35(30)39(47)51)22-42(44)40(52)48(27-15-11-25(46)12-16-27)41(53)43(42,45)37(29)36-32(49)5-4-6-34(36)56-3/h4-18,20-21,30-31,35,37,49H,19,22H2,1-3H3/t30-,31+,35-,37+,42+,43-/m0/s1
SMILES: CCCC1=NC=CN1C[C@H]2C[C@H]3[C@@H](CC4=CNC5=CC=CC3=C45)N(C2)C
InChI: InChI=1S/C22H28N4/c1-3-5-21-23-8-9-26(21)14-15-10-18-17-6-4-7-19-22(17)16(12-24-19)11-20(18)25(2)13-15/h4,6-9,12,15,18,20,24H,3,5,10-11,13-14H2,1-2H3/t15-,18+,20+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@]23C[C@H](O[C@]2(C(=O)C4=C(C=C(C=C4O3)OC)O)O)/C=C/C5=CC(=C(C=C5OC)OC)OC
InChI: InChI=1S/C30H30O10/c1-34-19-10-7-18(8-11-19)29-16-20(9-6-17-12-24(37-4)25(38-5)15-23(17)36-3)39-30(29,33)28(32)27-22(31)13-21(35-2)14-26(27)40-29/h6-15,20,31,33H,16H2,1-5H3/b9-6+/t20-,29-,30+/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C17H19NO4/c1-2-22-17(21)11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)16(18)20/h7-10,13-14H,2-6H2,1H3/t13-,14+
SMILES: C[C@H]1C(=O)O[C@H]2CCN3[C@H]2C(=CC3)COC(=O)[C@]([C@@]1(C)O)(C)O
InChI: InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11-,12-,15-,16-/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)CO[C@@H]2[C@H]([C@H]([C@H]3[C@H](O2)CO[C@H](O3)C4=CC=CC=C4)OCC=C)OCC=C
InChI: InChI=1S/C32H42O14/c1-7-14-37-26-24-22(16-39-30(46-24)21-12-10-9-11-13-21)45-32(28(26)38-15-8-2)40-17-23-25(41-18(3)33)27(42-19(4)34)29(43-20(5)35)31(36-6)44-23/h7-13,22-32H,1-2,14-17H2,3-6H3/t22-,23-,24-,25-,26+,27+,28+,29-,30-,31+,32+/m1/s1
SMILES: C1=CC=C(C=C1)C(=C2C=C[C@@H]3[C@H]2[C@]4(C5=CC=CC=C5[C@@]3(O4)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C38H28O/c1-5-15-27(16-6-1)35(28-17-7-2-8-18-28)31-25-26-34-36(31)38(30-21-11-4-12-22-30)33-24-14-13-23-32(33)37(34,39-38)29-19-9-3-10-20-29/h1-26,34,36H/t34-,36+,37+,38-/m1/s1
SMILES: CC(=O)OCC[C@@H]1[C@H](O1)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C
InChI: InChI=1S/C19H27NO5/c1-13(21)23-11-10-16-17(24-16)15(12-14-8-6-5-7-9-14)20-18(22)25-19(2,3)4/h5-9,15-17H,10-12H2,1-4H3,(H,20,22)/t15-,16+,17+/m0/s1
SMILES: [3H]C(CCO[C@@H]1[C@@H](CC2=CC=C3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2([C@H]1O)C)C)[C@H](C)CCCC(C)(C)O)O)O
InChI: InChI=1S/C30H50O5/c1-19(8-6-14-28(2,3)34)22-11-12-23-21-10-9-20-18-25(32)26(35-17-7-16-31)27(33)30(20,5)24(21)13-15-29(22,23)4/h9-10,19,22-27,31-34H,6-8,11-18H2,1-5H3/t19-,22-,23+,24+,25-,26-,27+,29-,30+/m1/s1/i16T/t16?,19-,22-,23+,24+,25-,26-,27+,29-,30+
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N
InChI: InChI=1S/C9H13N3O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3,10H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
SMILES: COC1=C(C(=C(C=C1)CN2CCN(CC2)C[C@@H]3C[C@@H]4C[C@H]3C=C4)OC)OC
InChI: InChI=1S/C22H32N2O3/c1-25-20-7-6-18(21(26-2)22(20)27-3)14-23-8-10-24(11-9-23)15-19-13-16-4-5-17(19)12-16/h4-7,16-17,19H,8-15H2,1-3H3/t16-,17+,19-/m0/s1
SMILES: COC(=O)C1=NN([C@@H]([C@H]1S(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H20N2O5S/c1-31-24(28)20-23(32(29,30)19-15-9-4-10-16-19)21(22(27)17-11-5-2-6-12-17)26(25-20)18-13-7-3-8-14-18/h2-16,21,23H,1H3/t21-,23+/m1/s1
SMILES: COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CCN=[N+]=[N-])OC)OCC2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)OCC4=CC=CC=C4)O)OC)OC
InChI: InChI=1S/C32H43N3O11/c1-38-19-23-26(29(42-17-20-11-7-5-8-12-20)25(39-2)22(44-23)15-16-34-35-33)45-32-30(41-4)27(40-3)24(36)28(46-32)31(37)43-18-21-13-9-6-10-14-21/h5-14,22-30,32,36H,15-19H2,1-4H3/t22-,23+,24-,25-,26+,27-,28+,29+,30+,32+/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@@]([C@]13CC[C@@](O3)(CCO)CO)(CC[C@H]([C@]2(C)CO)O)C
InChI: InChI=1S/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3/t14-,15-,16+,17+,18-,19+,20-/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC(=CC5=CC=CS5)C4=O)C)O
InChI: InChI=1S/C24H30O2S/c1-23-9-7-17(25)14-16(23)5-6-19-20(23)8-10-24(2)21(19)13-15(22(24)26)12-18-4-3-11-27-18/h3-5,11-12,17,19-21,25H,6-10,13-14H2,1-2H3/t17-,19+,20-,21+,23-,24+/m0/s1
SMILES: CN1CC[C@]23C4C1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)OC3[C@H](C=C4)O
InChI: InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10?,11?,12-,15-,16-,17+,19-,20?,22+,23-/m0/s1
SMILES: B1(O[C@H]2C[C@@H](O1)[C@@H]([C@H]2C/C=C\CCCC(=O)OC(C)C)[C@@H]([C@@H]([C@@H](CCC3=CC=CC=C3)O)SC4=CC=CC=C4)O)C5=CC=CC=C5
InChI: InChI=1S/C38H47BO6S/c1-27(2)43-35(41)23-15-4-3-14-22-31-33-26-34(45-39(44-33)29-18-10-6-11-19-29)36(31)37(42)38(46-30-20-12-7-13-21-30)32(40)25-24-28-16-8-5-9-17-28/h3,5-14,16-21,27,31-34,36-38,40,42H,4,15,22-26H2,1-2H3/b14-3-/t31-,32+,33-,34+,36+,37-,38+/m0/s1