EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)C2[C@@H]([C@H]2C3=CC=CC=C3)C4=CC=CC=C4)C(C)C
InChI: InChI=1S/C26H32O2/c1-17(2)21-15-14-18(3)16-22(21)28-26(27)25-23(19-10-6-4-7-11-19)24(25)20-12-8-5-9-13-20/h4-13,17-18,21-25H,14-16H2,1-3H3/t18-,21-,22+,23-,24-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)NCCOC3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H19ClN2O4/c19-12-5-7-13(8-6-12)25-10-9-20-16(22)11-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-2,5-8,14-15H,3-4,9-11H2,(H,20,22)/t14-,15-/m0/s1
SMILES: COCOC1=CC(=CC2=C1C[C@H]([C@@H]3[C@@H](N3C4(C5=CC=CC=C5C6=CC=CC=C64)C7=CC=CC=C7)CN2S(=O)(=O)C8=CC=CC=C8)O)CO
InChI: InChI=1S/C39H36N2O6S/c1-46-25-47-37-21-26(24-42)20-34-31(37)22-36(43)38-35(23-40(34)48(44,45)28-14-6-3-7-15-28)41(38)39(27-12-4-2-5-13-27)32-18-10-8-16-29(32)30-17-9-11-19-33(30)39/h2-21,35-36,38,42-43H,22-25H2,1H3/t35-,36+,38-,41?/m0/s1
SMILES: CCCCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)[C@@H]3C[C@H]([C@@H](C[C@@H]3C2=O)Br)Br
InChI: InChI=1S/C22H27Br2NO4/c1-2-3-4-5-6-7-20(26)29-15-10-8-14(9-11-15)25-21(27)16-12-18(23)19(24)13-17(16)22(25)28/h8-11,16-19H,2-7,12-13H2,1H3/t16-,17+,18-,19-/m1/s1
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@H]1[C@H]([C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)NC(=O)C)COC(=O)C
InChI: InChI=1S/C44H54N5O10P/c1-29(2)49(30(3)4)60(57-26-12-24-45)59-41-38(27-55-32(6)51)42(48-25-23-40(46-31(5)50)47-43(48)52)58-39(41)28-56-44(33-13-10-9-11-14-33,34-15-19-36(53-7)20-16-34)35-17-21-37(54-8)22-18-35/h9-11,13-23,25,29-30,38-39,41-42H,12,26-28H2,1-8H3,(H,46,47,50,52)/t38-,39-,41+,42-,60?/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-]
InChI: InChI=1S/C16H22N2O3S/c1-10-5-3-7-13(11(10)2)18-14(19)9-22-15-12(16(20)21)6-4-8-17-15/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,18,19)(H,20,21)/p-1/t10-,11+,13-/m1/s1
SMILES: CC(=O)[C@@H]1[C@@H]([C@H]2CC(=O)O[C@H]2O1)OCC3=CC=CC=C3
InChI: InChI=1S/C15H16O5/c1-9(16)13-14(11-7-12(17)19-15(11)20-13)18-8-10-5-3-2-4-6-10/h2-6,11,13-15H,7-8H2,1H3/t11-,13-,14-,15+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)N)C4=C(C(=CC=C4)Cl)Cl
InChI: InChI=1S/C18H16Cl2N2/c19-15-6-2-5-13(17(15)20)18-12-4-1-3-11(12)14-9-10(21)7-8-16(14)22-18/h1-3,5-9,11-12,18,22H,4,21H2/t11-,12-,18+/m0/s1
SMILES: C[C@H]1C[C@H](C[C@@H](O1)C[C@H]([C@H](C)[C@@H]2[C@@H](C(=O)N(C(=O)O2)[C@@H](CC3=CC=CC=C3)CBr)C)OC(=O)C4=CC=CC=C4)OC
InChI: InChI=1S/C32H40BrNO7/c1-20-15-26(38-4)17-27(39-20)18-28(40-31(36)24-13-9-6-10-14-24)21(2)29-22(3)30(35)34(32(37)41-29)25(19-33)16-23-11-7-5-8-12-23/h5-14,20-22,25-29H,15-19H2,1-4H3/t20-,21-,22-,25-,26+,27+,28+,29+/m0/s1
SMILES: CNC1=C2C(=NC(=N1)F)N(C=N2)[C@H]3C[C@@H]([C@@]4([C@@H]3C4)COP(=O)([O-])[O-])OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChI: InChI=1S/C13H18FN5O8P2.4H3N/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22;;;;/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25);4*1H3/t6-,7+,8+,13-;;;;/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)C4=CC=CC(=C4)CNC(=O)OCC=C)CN5CCC(CC5)(C6=CC=C(C=C6)Cl)O
InChI: InChI=1S/C41H45ClN2O6/c1-3-23-48-40(46)43-25-30-5-4-6-34(24-30)31-11-13-33(14-12-31)39-49-37(28(2)38(50-39)32-9-7-29(27-45)8-10-32)26-44-21-19-41(47,20-22-44)35-15-17-36(42)18-16-35/h3-18,24,28,37-39,45,47H,1,19-23,25-27H2,2H3,(H,43,46)/t28-,37+,38+,39+/m1/s1
SMILES: C=CCN1CC[C@]23[C@@H]4/C(=N\NC(=O)C5=CC=CC=C5)/CC[C@]2([C@H]1CC6=C3C(=C(C=C6)O)O4)O
InChI: InChI=1S/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/b27-18-/t20-,23+,25+,26-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CCC)[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/C53H79N3O10/c1-7-10-11-12-13-14-15-16-17-22-34-62-51(59)55(30-8-2)48-38-46(54-66-52(4,5)6)44-35-39(24-18-20-31-57)43(27-19-21-32-58)49-45-37-42(64-41-26-23-25-40(36-41)56(60)61)28-29-47(45)65-53(48,50(44)49)63-33-9-3/h9,23,25-26,28-29,35-37,39,43,48-50,57-58H,3,7-8,10-22,24,27,30-34,38H2,1-2,4-6H3/t39-,43+,48-,49+,50+,53+/m0/s1
SMILES: CC(=O)[C@@H]1CC[C@@]2([C@H](CCC(=C)[C@H]2[C@@H]1OC(=O)/C=C/C(C)(C)O)O)C
InChI: InChI=1S/C20H30O5/c1-12-6-7-15(22)20(5)11-8-14(13(2)21)18(17(12)20)25-16(23)9-10-19(3,4)24/h9-10,14-15,17-18,22,24H,1,6-8,11H2,2-5H3/b10-9+/t14-,15-,17-,18+,20+/m0/s1
SMILES: CC1=CC(=C(C(=S)N1[C@@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O)C#N)C3=CC=C(C=C3)OC
InChI: InChI=1S/C20H22N2O6S/c1-10-7-13(11-3-5-12(27-2)6-4-11)14(8-21)20(29)22(10)19-18(26)17(25)16(24)15(9-23)28-19/h3-7,15-19,23-26H,9H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=C(C(=O)NC4=O)C)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=C(C(=O)NC6=O)C)CO)O)O
InChI: InChI=1S/C30H40N6O22P2/c1-10-4-34(28(45)31-22(10)42)25-17(39)16(38)14(55-25)8-52-59(48,49)58-21-15(56-27(19(21)41)36-6-12(3)24(44)33-30(36)47)9-53-60(50,51)57-20-13(7-37)54-26(18(20)40)35-5-11(2)23(43)32-29(35)46/h4-6,13-21,25-27,37-41H,7-9H2,1-3H3,(H,48,49)(H,50,51)(H,31,42,45)(H,32,43,46)(H,33,44,47)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,25-,26-,27-/m1/s1
SMILES: CCC(=O)O[C@@]12C=CC(=O)[C@H]3[C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)OC)O3)C
InChI: InChI=1S/C21H23NO5/c1-4-16(24)27-21-8-7-13(23)19-20(21)9-10-22(2)15(21)11-12-5-6-14(25-3)18(26-19)17(12)20/h5-8,15,19H,4,9-11H2,1-3H3/t15-,19+,20+,21-/m1/s1
SMILES: CCCCCCCCCCC/C=C/C[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N=[N+]=[N-])OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C66H81N3O8/c1-2-3-4-5-6-7-8-9-10-11-12-31-44-60(71-46-54-34-21-14-22-35-54)62(72-47-55-36-23-15-24-37-55)59(68-69-67)51-76-66-65(75-50-58-42-29-18-30-43-58)64(74-49-57-40-27-17-28-41-57)63(73-48-56-38-25-16-26-39-56)61(77-66)52-70-45-53-32-19-13-20-33-53/h12-43,59-66H,2-11,44-52H2,1H3/b31-12+/t59-,60+,61+,62-,63-,64-,65+,66-/m0/s1
SMILES: C[C@@H]1[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)[C@@H]1O[C@@H]4C[C@H]5CC[C@@]4(C5(C)C)CSC)C=C3
InChI: InChI=1S/C22H32O2S/c1-12-17-13-5-6-14(9-13)18(17)19(23)20(12)24-16-10-15-7-8-22(16,11-25-4)21(15,2)3/h5-6,12-18,20H,7-11H2,1-4H3/t12-,13-,14+,15-,16-,17+,18-,20-,22-/m1/s1
SMILES: CCOP(=O)(C[C@H]1CC[C@H]2CN(C(C[C@H]2C1)OC)C(=O)OC)OCC
InChI: InChI=1S/C17H32NO6P/c1-5-23-25(20,24-6-2)12-13-7-8-14-11-18(17(19)22-4)16(21-3)10-15(14)9-13/h13-16H,5-12H2,1-4H3/t13-,14-,15+,16?/m0/s1
SMILES: CCOC(=O)N1C=CC(=C[C@H]2N1C(=O)[C@@H]2N3C(=O)C4=CC=CC=C4C3=O)C
InChI: InChI=1S/C19H17N3O5/c1-3-27-19(26)20-9-8-11(2)10-14-15(18(25)22(14)20)21-16(23)12-6-4-5-7-13(12)17(21)24/h4-10,14-15H,3H2,1-2H3/t14-,15-/m1/s1
SMILES: CCSCCOC(=O)[C@H]1[C@@H](NC(=S)NC1=C)C2=C(C=CC(=C2)OC)OC
InChI: InChI=1S/C18H24N2O4S2/c1-5-26-9-8-24-17(21)15-11(2)19-18(25)20-16(15)13-10-12(22-3)6-7-14(13)23-4/h6-7,10,15-16H,2,5,8-9H2,1,3-4H3,(H2,19,20,25)/t15-,16+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@H](C2)C3=CCCCCC3)O
InChI: InChI=1S/C19H27NO3S/c1-15-8-10-17(11-9-15)24(22,23)20-13-12-19(21)18(14-20)16-6-4-2-3-5-7-16/h6,8-11,18-19,21H,2-5,7,12-14H2,1H3/t18-,19-/m0/s1
SMILES: C([C@@H]([C@@H]([C@@H]1[C@H]([C@@](C(O1)O)(CO)O)O)O)O)O
InChI: InChI=1S/C8H16O8/c9-1-3(11)4(12)5-6(13)8(15,2-10)7(14)16-5/h3-7,9-15H,1-2H2/t3-,4-,5+,6+,7?,8+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C(=CC=C4)F)O)Cl)C5=CC=C(C=C5)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C32H21Cl2F2N3O7/c33-31-14-22-19(12-13-20-24(22)28(42)37(27(20)41)16-8-10-18(11-9-16)39(45)46)25(21-2-1-3-23(36)26(21)40)32(31,34)30(44)38(29(31)43)17-6-4-15(35)5-7-17/h1-12,20,22,24-25,40H,13-14H2/t20-,22+,24-,25+,31+,32-/m0/s1
SMILES: CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)F
InChI: InChI=1S/C20H18FN5/c1-2-26-8-7-15-16(9-22)19(25)20(11-23,12-24)18(17(15)10-26)13-3-5-14(21)6-4-13/h3-7,17-18H,2,8,10,25H2,1H3/t17-,18+/m0/s1
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]4[C@@H]([C@H](O[C@H](O4)C5=CC=CC=C5)COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)O
InChI: InChI=1S/C45H42N4O8/c1-27-23-35-36(24-28(27)2)49(41-39(46-35)42(51)48-44(52)47-41)25-37-40(50)38(57-43(56-37)29-11-7-5-8-12-29)26-55-45(30-13-9-6-10-14-30,31-15-19-33(53-3)20-16-31)32-17-21-34(54-4)22-18-32/h5-24,37-38,40,43,50H,25-26H2,1-4H3,(H,48,51,52)/t37-,38+,40-,43-/m0/s1
SMILES: C1CNC[C@@H]([C@]1(C2=CC=C(C=C2)Cl)OCC3=CC(=CC=C3)C#N)OCC4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C26H23Cl3N2O2/c27-22-7-5-21(6-8-22)26(33-17-19-3-1-2-18(12-19)14-30)10-11-31-15-25(26)32-16-20-4-9-23(28)24(29)13-20/h1-9,12-13,25,31H,10-11,15-17H2/t25-,26-/m0/s1
SMILES: C[C@@]12CC[C@@](C1(C)C)(OC2=O)C(=O)O[C@@H]3C[C@H]([C@H]4C[C@@H]3[C@@H](CC4=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C31H34O5/c1-29(2)30(3)14-15-31(29,36-27(30)33)28(34)35-26-18-22(20-12-8-5-9-13-20)23-16-24(26)21(17-25(23)32)19-10-6-4-7-11-19/h4-13,21-24,26H,14-18H2,1-3H3/t21-,22-,23+,24+,26+,30-,31+/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CS5)C
InChI: InChI=1S/C24H22N2O3S/c1-14-12-15(2)20(16(3)13-14)25-23(27)19-21(18-10-7-11-30-18)26(29-22(19)24(25)28)17-8-5-4-6-9-17/h4-13,19,21-22H,1-3H3/t19-,21+,22-/m0/s1
SMILES: CO[C@H]1[C@@H](O[C@H](CO1)[C@@H](COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC4=CC5=C(C(=C4)OC)[C@@]6([C@@H]([C@@H]([C@H]([C@@]6(O5)C7=CC=C(C=C7)OC)C8=CC=CC=C8)C(=O)OC)O)O
InChI: InChI=1S/C48H46O15/c1-54-32-22-20-31(21-23-32)48-39(28-14-8-5-9-15-28)38(44(52)56-3)41(49)47(48,53)40-34(55-2)24-33(25-35(40)63-48)60-46-45(57-4)59-27-37(62-46)36(61-43(51)30-18-12-7-13-19-30)26-58-42(50)29-16-10-6-11-17-29/h5-25,36-39,41,45-46,49,53H,26-27H2,1-4H3/t36-,37-,38-,39-,41-,45-,46-,47+,48+/m1/s1
SMILES: CC(=O)[C@@H]1CC[C@H]2[C@@]1(CC=C3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,14,16-18H,4-8,10-12H2,1-3H3/t14-,16-,17-,18+,20-,21+/m0/s1
SMILES: CCC1=CC(=CC=C1)O[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)NC(=O)C
InChI: InChI=1S/C16H23NO6/c1-3-10-5-4-6-11(7-10)22-16-13(17-9(2)19)15(21)14(20)12(8-18)23-16/h4-7,12-16,18,20-21H,3,8H2,1-2H3,(H,17,19)/t12-,13+,14+,15-,16+/m0/s1
SMILES: C=CC[N+]1(CC[C@@]23CCCC[C@H]2[C@@H]1CC4=C3C=C(C=C4)O)CC=C
InChI: InChI=1S/C22H29NO/c1-3-12-23(13-4-2)14-11-22-10-6-5-7-19(22)21(23)15-17-8-9-18(24)16-20(17)22/h3-4,8-9,16,19,21H,1-2,5-7,10-15H2/p+1/t19-,21-,22-/m0/s1
SMILES: COC1=CC2=C(C=C1)C3=NN([C@@H]([C@H]3CC2)C4=CC=C(C=C4)SC)CCO
InChI: InChI=1S/C21H24N2O2S/c1-25-16-6-10-18-15(13-16)5-9-19-20(18)22-23(11-12-24)21(19)14-3-7-17(26-2)8-4-14/h3-4,6-8,10,13,19,21,24H,5,9,11-12H2,1-2H3/t19-,21+/m0/s1
SMILES: CC1=C[C@@]2([C@@H]3CC=C[C@@H]3[C@H]1C(=O)[C@]24CO4)C
InChI: InChI=1S/C14H16O2/c1-8-6-13(2)10-5-3-4-9(10)11(8)12(15)14(13)7-16-14/h3-4,6,9-11H,5,7H2,1-2H3/t9-,10+,11-,13+,14+/m0/s1
SMILES: C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)O[C@@H]3[C@@H]([C@H]([C@@H](O3)[C@H](COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C48H41O13P/c49-44(36-23-11-3-12-24-36)54-33-40(57-45(50)37-25-13-4-14-26-37)41-42(58-46(51)38-27-15-5-16-28-38)43(59-47(52)39-29-17-6-18-30-39)48(60-41)61-62(53,55-31-34-19-7-1-8-20-34)56-32-35-21-9-2-10-22-35/h1-30,40-43,48H,31-33H2/t40-,41-,42-,43+,48+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[N+]5(CCCC5)C)C)[N+]6(CCCC6)C.[I-].[I-]
InChI: InChI=1S/C29H52N2.2HI/c1-28-15-13-23(30(3)17-5-6-18-30)21-22(28)9-10-24-25-11-12-27(31(4)19-7-8-20-31)29(25,2)16-14-26(24)28;;/h22-27H,5-21H2,1-4H3;2*1H/q+2;;/p-2/t22-,23-,24-,25-,26-,27-,28-,29-;;/m0../s1
SMILES: CC(=O)OCC(=O)[C@@]1(CC[C@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@]43C)C)O
InChI: InChI=1S/C23H30O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h7,12,17,19,27H,4-6,8-11,13H2,1-3H3/t17-,19-,21-,22+,23-/m1/s1
SMILES: CCCCC[C@@H]1[C@@H](C[C@@H]([C@H]1[C@@H](/C=C\C/C=C\CCCC(=O)OCC)SC2=CC=CC=C2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O
InChI: InChI=1S/C44H60O4SSi/c1-6-8-16-31-38-39(45)34-40(48-50(44(3,4)5,36-27-19-14-20-28-36)37-29-21-15-22-30-37)43(38)41(49-35-25-17-13-18-26-35)32-23-11-9-10-12-24-33-42(46)47-7-2/h9-10,13-15,17-23,25-30,32,38-41,43,45H,6-8,11-12,16,24,31,33-34H2,1-5H3/b10-9-,32-23-/t38-,39-,40+,41-,43+/m1/s1
SMILES: CCCOC1=CC=CC=C1[C@H]2[C@@H]3C(=O)CC(C=C3NC4=CC=CC=C4N2)(C)C
InChI: InChI=1S/C24H28N2O2/c1-4-13-28-21-12-8-5-9-16(21)23-22-19(14-24(2,3)15-20(22)27)25-17-10-6-7-11-18(17)26-23/h5-12,14,22-23,25-26H,4,13,15H2,1-3H3/t22-,23-/m0/s1
SMILES: C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI: InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1
SMILES: CS(=O)(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SCCOC(=O)C6=CC=CC=C6
InChI: InChI=1S/C38H36N2O9S2/c1-51(44,45)49-33-34(50-25-24-46-36(42)27-14-6-2-7-15-27)31(48-35(33)40-23-22-32(41)39-37(40)43)26-47-38(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-23,31,33-35H,24-26H2,1H3,(H,39,41,43)/t31-,33+,34-,35-/m1/s1
SMILES: CC1(O[C@H]([C@H](O1)[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O)O)/C=N\OCC2=CC=CC=C2)C
InChI: InChI=1S/C22H37NO6Si/c1-21(2,3)30(6,7)27-15-17(24)19(25)20-18(28-22(4,5)29-20)13-23-26-14-16-11-9-8-10-12-16/h8-13,17-20,24-25H,14-15H2,1-7H3/b23-13-/t17-,18+,19+,20+/m1/s1
SMILES: CC1([C@H]2CC[C@@H]([C@@]23[C@H]([C@@H]1[C@H](C=C3CO[Si](C)(C)C(C)(C)C)O)O)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C27H52O4Si2/c1-24(2,3)32(9,10)30-16-18-13-14-21-26(7,8)22-20(28)15-19(27(18,21)23(22)29)17-31-33(11,12)25(4,5)6/h15,18,20-23,28-29H,13-14,16-17H2,1-12H3/t18-,20+,21-,22+,23+,27+/m1/s1
SMILES: CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O)C
InChI: InChI=1S/C27H29N7O6S2/c1-5-40-26(39)20-14(2)18(15(3)33(20)11-16-9-7-6-8-10-16)22(35)28-19-23(36)34-21(25(37)38)17(12-41-24(19)34)13-42-27-29-30-31-32(27)4/h6-10,19,24H,5,11-13H2,1-4H3,(H,28,35)(H,37,38)/t19-,24-/m1/s1
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@@H]5O)C)C(=O)O3)O)C)\C)O[C@@H]1C(C)C
InChI: InChI=1S/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7+,21-10+,24-9+/t20-,22-,25+,26-,27-,28-,29+,30+,32+,33+/m0/s1
SMILES: C1[C@@H]2CSC3=C([C@H]2C4=C(O1)C=CC(=C4)[N+](=O)[O-])SC(=O)N3
InChI: InChI=1S/C13H10N2O4S2/c16-13-14-12-11(21-13)10-6(5-20-12)4-19-9-2-1-7(15(17)18)3-8(9)10/h1-3,6,10H,4-5H2,(H,14,16)/t6-,10-/m1/s1
SMILES: CCOC(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)NC5CCCCC5
InChI: InChI=1S/C22H29N7O6/c1-2-34-21(33)12-8-24-29(9-12)22-26-18(25-13-6-4-3-5-7-13)15-19(27-22)28(11-23-15)20-17(32)16(31)14(10-30)35-20/h8-9,11,13-14,16-17,20,30-32H,2-7,10H2,1H3,(H,25,26,27)/t14-,16-,17-,20-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NN=C3N2C=C(C=C3Cl)C(F)(F)F
InChI: InChI=1S/C16H18ClF3N4OS/c1-9-4-2-3-5-12(9)21-13(25)8-26-15-23-22-14-11(17)6-10(7-24(14)15)16(18,19)20/h6-7,9,12H,2-5,8H2,1H3,(H,21,25)/t9-,12+/m0/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN(C)S(=O)(=O)C)C(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCCC3=C(C=C(C=C3)C(=O)OC)Cl)C
InChI: InChI=1S/C37H57ClF2N6O8S/c1-35(2,3)25(19-45(9)55(11,52)53)43-34(51)44-29(36(4,5)6)32(49)46-18-22-27(37(22,7)8)28(46)31(48)42-24(17-26(39)40)30(47)41-15-14-20-12-13-21(16-23(20)38)33(50)54-10/h12-13,16,22,24-29H,14-15,17-19H2,1-11H3,(H,41,47)(H,42,48)(H2,43,44,51)/t22-,24?,25+,27-,28-,29+/m0/s1
SMILES: CCOC1=CC=CC=C1N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=C(C(=CC=C5)OC)OC
InChI: InChI=1S/C27H26N2O6/c1-4-34-20-15-9-8-14-19(20)28-26(30)22-23(18-13-10-16-21(32-2)24(18)33-3)29(35-25(22)27(28)31)17-11-6-5-7-12-17/h5-16,22-23,25H,4H2,1-3H3/t22-,23-,25-/m0/s1
SMILES: CCC(=O)O[C@@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)[C@@H]4[C@H]([C@@H]5[C@H](O4)OC(O5)(C)C)N=[N+]=[N-]
InChI: InChI=1S/C32H35N3O7/c1-5-26(36)39-25(28-27(34-35-33)29-30(40-28)42-31(2,3)41-29)20-38-32(21-12-8-6-9-13-21,22-14-10-7-11-15-22)23-16-18-24(37-4)19-17-23/h6-19,25,27-30H,5,20H2,1-4H3/t25-,27+,28+,29+,30+/m0/s1
SMILES: COC1=CC=C(C=C1)N[C@@H]([C@H]2[C@@H]([C@@H](C(=O)N2CC3=CC=CC=C3)O)C(=O)OC)[C@H](C(=O)OC)OC
InChI: InChI=1S/C25H30N2O8/c1-32-17-12-10-16(11-13-17)26-19(22(33-2)25(31)35-4)20-18(24(30)34-3)21(28)23(29)27(20)14-15-8-6-5-7-9-15/h5-13,18-22,26,28H,14H2,1-4H3/t18-,19-,20+,21-,22+/m0/s1
SMILES: C1CC2CCC1[C@@H]([C@@H]2C(=O)O)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)F
InChI: InChI=1S/C21H27FN2O3/c22-17-7-1-14(2-8-17)13-23-9-11-24(12-10-23)20(25)18-15-3-5-16(6-4-15)19(18)21(26)27/h1-2,7-8,15-16,18-19H,3-6,9-13H2,(H,26,27)/t15?,16?,18-,19+/m0/s1
SMILES: C[C@H]1C[C@]2([C@H]3[C@@H]([C@@]1(CO[C@@H]3C4=CC=CC=C4O2)CO)C)C
InChI: InChI=1S/C18H24O3/c1-11-8-17(3)15-12(2)18(11,9-19)10-20-16(15)13-6-4-5-7-14(13)21-17/h4-7,11-12,15-16,19H,8-10H2,1-3H3/t11-,12-,15-,16+,17-,18+/m0/s1
SMILES: COC1=C[C@]([C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)C=C3)(C[S@@](=O)C4=CC=CC=C4)O
InChI: InChI=1S/C19H20O4S/c1-23-15-10-19(21,11-24(22)14-5-3-2-4-6-14)17-13-8-7-12(9-13)16(17)18(15)20/h2-8,10,12-13,16-17,21H,9,11H2,1H3/t12-,13+,16-,17+,19+,24+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3C[C@@](C2(C)C)(C[C@@H]1O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C31H38O10/c1-16-20(34)13-30(41-27(37)19-10-8-7-9-11-19)14-21-29(6,22(35)12-23-31(21,15-38-23)40-18(3)33)26(36)25(39-17(2)32)24(16)28(30,4)5/h7-11,20-23,25,34-35H,12-15H2,1-6H3/t20-,21?,22-,23+,25+,29-,30+,31+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NCC2=CC=C(C=C2)I)C3=CSC=C3)CCOCCOCCO
InChI: InChI=1S/C25H32INO6S/c1-2-32-25-21(7-10-30-12-13-31-11-9-28)22(19-8-14-34-17-19)15-23(33-25)24(29)27-16-18-3-5-20(26)6-4-18/h3-6,8,14-15,17,21-22,25,28H,2,7,9-13,16H2,1H3,(H,27,29)/t21-,22+,25+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC4=NC=CC(=N4)C5=CC=C(C=C5)C6=CC=CC=C6
InChI: InChI=1S/C31H31N5O3/c1-36(2)24-14-12-23(13-15-24)30(37)33-26-18-38-29-27(19-39-28(26)29)35-31-32-17-16-25(34-31)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-17,26-29H,18-19H2,1-2H3,(H,33,37)(H,32,34,35)/t26-,27-,28+,29+/m0/s1
SMILES: CCCCCCC(=O)O[C@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]([C@H]3CC=C2C1)CC[C@H]4[C@@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C34H58O2/c1-7-8-9-10-14-32(35)36-27-19-21-33(5)26(23-27)15-16-28-30-18-17-29(25(4)13-11-12-24(2)3)34(30,6)22-20-31(28)33/h15,24-25,27-31H,7-14,16-23H2,1-6H3/t25-,27-,28+,29-,30+,31+,33-,34-/m0/s1
SMILES: CC[C@H]([C@@H]1[C@H]2[C@H](C(=C(N2C1=O)C(=O)O)S[C@H]3C[C@H](NC3)C(=O)N(C)C)C)O
InChI: InChI=1S/C18H27N3O5S/c1-5-11(22)12-13-8(2)15(14(18(25)26)21(13)17(12)24)27-9-6-10(19-7-9)16(23)20(3)4/h8-13,19,22H,5-7H2,1-4H3,(H,25,26)/t8-,9+,10+,11-,12-,13-/m1/s1
SMILES: C1CCN(CC1)[C@@H]2CC[C@H]([C@H]2O)OCC3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H29NO2/c25-23-21(24-15-5-2-6-16-24)13-14-22(23)26-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-23,25H,2,5-6,13-17H2/t21-,22-,23+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](SC2(C)C)C(=O)C3CCCCC3
InChI: InChI=1S/C18H30O2S/c1-12-9-10-14-15(11-12)20-17(21-18(14,2)3)16(19)13-7-5-4-6-8-13/h12-15,17H,4-11H2,1-3H3/t12-,14-,15-,17-/m1/s1
SMILES: C1=CC=C2C(=C1)C(=CC=N2)/C=N/NC3=NC4=C(N=CN=C4N3[C@@H]5[C@H]([C@H]([C@@H](O5)CO)O)O)N
InChI: InChI=1S/C20H20N8O4/c21-17-14-18(24-9-23-17)28(19-16(31)15(30)13(8-29)32-19)20(26-14)27-25-7-10-5-6-22-12-4-2-1-3-11(10)12/h1-7,9,13,15-16,19,29-31H,8H2,(H,26,27)(H2,21,23,24)/b25-7+/t13-,15-,16-,19-/m0/s1
SMILES: C1=CC=C(C=C1)COCCOCCO[C@@H]2[C@@H]([C@@H]([C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCCOCCOCC7=CC=CC=C7
InChI: InChI=1S/C56H64O10/c1-7-19-45(20-8-1)39-59-33-31-57-35-37-61-51-52(62-38-36-58-32-34-60-40-46-21-9-2-10-22-46)54(64-42-48-25-13-4-14-26-48)56(66-44-50-29-17-6-18-30-50)55(65-43-49-27-15-5-16-28-49)53(51)63-41-47-23-11-3-12-24-47/h1-30,51-56H,31-44H2/t51-,52+,53-,54-,55+,56+/m0/s1
SMILES: CCSC1=NN2[C@@H]([C@H]3C(=O)CC(C=C3NC2=N1)(C)C)C4=CC(=CC=C4)O
InChI: InChI=1S/C19H22N4O2S/c1-4-26-18-21-17-20-13-9-19(2,3)10-14(25)15(13)16(23(17)22-18)11-6-5-7-12(24)8-11/h5-9,15-16,24H,4,10H2,1-3H3,(H,20,21,22)/t15-,16-/m1/s1
SMILES: CC[C@@H]1/C=C(/C[C@@H](C[C@H](C2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/C4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)\C
InChI: InChI=1S/C42H67NO12/c1-10-29-17-23(2)16-24(3)18-35(52-8)38-36(53-9)20-26(5)42(50,55-38)39(47)40(48)43-15-11-12-30(43)41(49)54-37(27(6)32(45)22-33(29)46)25(4)19-28-13-14-31(44)34(21-28)51-7/h17,19,24,26-32,34-38,44-45,50H,10-16,18,20-22H2,1-9H3/b23-17+,25-19+/t24-,26+,27+,28?,29+,30?,31+,32-,34+,35+,36-,37+,38?,42+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H]([C@H]2C(=O)O)C(C(=O)O)N
InChI: InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10?/m1/s1
SMILES: CCCC1=CC(=O)OC2=C3C(=CC(=C12)OC(C)CC)O[C@@H]([C@H](C3=O)C)C
InChI: InChI=1S/C21H26O5/c1-6-8-14-9-17(22)26-21-18(14)15(24-11(3)7-2)10-16-19(21)20(23)12(4)13(5)25-16/h9-13H,6-8H2,1-5H3/t11?,12-,13-/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@]2(C(C(F)(F)F)(F)F)O)CCC4=C(C(=O)C=C[C@]34C)O
InChI: InChI=1S/C21H25F5O3/c1-17-8-7-15(27)16(28)14(17)4-3-11-12(17)5-9-18(2)13(11)6-10-19(18,29)20(22,23)21(24,25)26/h7-8,11-13,28-29H,3-6,9-10H2,1-2H3/t11?,12?,13?,17-,18+,19-/m1/s1
SMILES: C1[C@@H]2[C@H](C3=C(N1CC4=CC=CC=C4)C5=CC=CC=C5OC3=O)NO[C@H]2C6=CC=CC=C6
InChI: InChI=1S/C26H22N2O3/c29-26-22-23-20(25(31-27-23)18-11-5-2-6-12-18)16-28(15-17-9-3-1-4-10-17)24(22)19-13-7-8-14-21(19)30-26/h1-14,20,23,25,27H,15-16H2/t20-,23-,25+/m1/s1
SMILES: CC(C)[C@@H]1[C@@H]2C[C@@H]([C@@H]([C@H]2C3=C(N1)C(=CC=C3)C(=O)O)Cl)SC4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C22H23ClN2O4S/c1-11(2)20-14-10-17(30-16-9-4-3-8-15(16)25(28)29)19(23)18(14)12-6-5-7-13(22(26)27)21(12)24-20/h3-9,11,14,17-20,24H,10H2,1-2H3,(H,26,27)/t14-,17+,18+,19+,20-/m1/s1
SMILES: CC1=CC(=NC=C1)[C@@H]2CN3CCC4=CC(=C(C=C4[C@H]3C[C@H]2N)OC)OCC(=O)NC5=NNN=N5.Cl
InChI: InChI=1S/C23H28N8O3.ClH/c1-13-3-5-25-18(7-13)16-11-31-6-4-14-8-21(34-12-22(32)26-23-27-29-30-28-23)20(33-2)9-15(14)19(31)10-17(16)24;/h3,5,7-9,16-17,19H,4,6,10-12,24H2,1-2H3,(H2,26,27,28,29,30,32);1H/t16-,17-,19-;/m1./s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C=CC6=CC(=C(C=C6)O)OC)C(=O)N(C5=O)C7=CC=C(C=C7)N8CCOCC8)C(=O)N(C3=O)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C46H42Cl2N4O8/c1-58-31-12-5-27(6-13-31)46-35(16-3-26-4-18-39(53)40(23-26)59-2)32-14-15-33-41(44(56)51(42(33)54)30-10-8-29(9-11-30)50-19-21-60-22-20-50)34(32)25-36(46)43(55)52(45(46)57)49-38-17-7-28(47)24-37(38)48/h3-14,16-18,23-24,33-36,41,49,53H,15,19-22,25H2,1-2H3/t33-,34+,35-,36-,41-,46-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H](CNC(=O)C5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C41H47NO14/c1-21-27(54-37(50)26(45)19-42-35(48)24-13-9-7-10-14-24)18-41(51)34(55-36(49)25-15-11-8-12-16-25)32-39(6,28(46)17-29-40(32,20-52-29)56-23(3)44)33(47)31(53-22(2)43)30(21)38(41,4)5/h7-16,26-29,31-32,34,45-46,51H,17-20H2,1-6H3,(H,42,48)/t26-,27+,28+,29-,31-,32+,34+,39-,40+,41-/m1/s1
SMILES: C[C@H]1CCC2=C(C=CC=N2)C(=O)OC[C@]3(C4[C@@H]([C@H]([C@@]5([C@H]([C@H]([C@@H]([C@](C5([C@@H]4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C)OC(=O)C6=CC=CC=C6)COC(=O)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(59-26(6)49)42(20-54-22(2)45)36(61-38(51)27-13-10-9-11-14-27)32(57-24(4)47)34(60-37(21)50)41(8,53)43(42,62-40)33(30)58-25(5)48/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30?,31-,32-,33+,34-,35+,36-,40-,41-,42+,43?/m0/s1
SMILES: C\1[C@H](N[C@H]([C@@H](/C1=N\O)CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H24N2O/c27-26-23-17-22(19-12-6-2-7-13-19)25-24(20-14-8-3-9-15-20)21(23)16-18-10-4-1-5-11-18/h1-15,21-22,24-25,27H,16-17H2/b26-23-/t21-,22+,24+/m1/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3
InChI: InChI=1S/C21H27N3O6/c1-15-11-19(25)17(18(15)13-24(28)29)12-21(27)30-14-20(26)23-9-7-22(8-10-23)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14H2,1H3/t15-,17-,18-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@]2(C1)OC(=O)C[C@]3(O2)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]6[C@]5(CC[C@H](C6(C)C)O)C)C)C)C(C)C
InChI: InChI=1S/C34H56O4/c1-21(2)23-10-9-22(3)19-34(23)37-28(36)20-33(38-34)18-13-26-31(7)15-11-24-29(4,5)27(35)14-16-30(24,6)25(31)12-17-32(26,33)8/h21-27,35H,9-20H2,1-8H3/t22-,23+,24-,25+,26-,27-,30-,31+,32-,33-,34-/m1/s1