EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)/C(=C/C[C@@H](C[C@@H]1[C@@H]2[C@H]([C@@H](O1)OC)OC(O2)(C)C)NC(=O)OCC3=CC=CC=C3)/NC(=O)C
InChI: InChI=1S/C26H36N2O9/c1-6-33-23(30)19(27-16(2)29)13-12-18(28-25(31)34-15-17-10-8-7-9-11-17)14-20-21-22(24(32-5)35-20)37-26(3,4)36-21/h7-11,13,18,20-22,24H,6,12,14-15H2,1-5H3,(H,27,29)(H,28,31)/b19-13-/t18-,20+,21+,22+,24+/m0/s1
SMILES: CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H]1[C@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)CC2=CC=CC=C2
InChI: InChI=1S/C28H44N2O6/c1-18(2)16-20(24(32)35-26(3,4)5)29-23(31)22-21(17-19-14-12-11-13-15-19)30(28(9,10)34-22)25(33)36-27(6,7)8/h11-15,18,20-22H,16-17H2,1-10H3,(H,29,31)/t20-,21+,22+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)CO)OCCC6=CC(=C(C=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)O)O)O)O
InChI: InChI=1S/C57H60O15/c1-37-50(60)51(61)52(62)57(69-37)72-55-53(63)56(64-29-28-39-23-26-45(66-34-41-16-8-3-9-17-41)47(31-39)68-36-43-20-12-5-13-21-43)70-48(32-58)54(55)71-49(59)27-24-38-22-25-44(65-33-40-14-6-2-7-15-40)46(30-38)67-35-42-18-10-4-11-19-42/h2-27,30-31,37,48,50-58,60-63H,28-29,32-36H2,1H3/b27-24+/t37-,48+,50-,51+,52+,53+,54+,55+,56+,57-/m0/s1
SMILES: CC1=CC(=CC(=C1)N2C(=O)[C@@H]3[C@@H](C2=O)N(N=C3C(=O)OC)CCC(=O)C)C
InChI: InChI=1S/C19H21N3O5/c1-10-7-11(2)9-13(8-10)22-17(24)14-15(19(26)27-4)20-21(6-5-12(3)23)16(14)18(22)25/h7-9,14,16H,5-6H2,1-4H3/t14-,16-/m0/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1C2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@@H]([C@]1(C)O)C)OC(=O)C)OCO4)OC)O)OC)OC
InChI: InChI=1S/C29H34O11/c1-9-13(2)28(32)40-27-17-11-18(34-6)24(35-7)22(31)20(17)21-16(10-19-25(26(21)36-8)38-12-37-19)23(39-15(4)30)14(3)29(27,5)33/h9-11,14,23,27,31,33H,12H2,1-8H3/b13-9+/t14-,23+,27-,29-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SCCl)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H21ClO9S/c1-7(17)21-5-11-12(22-8(2)18)13(23-9(3)19)14(24-10(4)20)15(25-11)26-6-16/h11-15H,5-6H2,1-4H3/t11-,12-,13+,14-,15+/m1/s1
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1[C@@H]([C@@H]([C@H](C(O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O
InChI: InChI=1S/2C16H36N.C14H22N2O16P2/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h2*5-16H2,1-4H3;1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/q2*+1;/p-2/t;;5-,6+,8-,9+,10+,11+,12+,13?/m..0/s1
SMILES: CCC1=CN(N=C1)[C@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)NCCN5CCCCC5)NCC(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C36H45N9O2/c1-2-25-21-40-45(23-25)30-20-29(32(46)33(30)47)44-24-39-31-34(41-36(42-35(31)44)37-16-19-43-17-10-5-11-18-43)38-22-28(26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-4,6-9,12-15,21,23-24,28-30,32-33,46-47H,2,5,10-11,16-20,22H2,1H3,(H2,37,38,41,42)/t29-,30+,32+,33-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@]([C@@H]([C@@H](S1)C2=CC=C(C=C2)Cl)C#N)(C3=CC=CC=C3)O
InChI: InChI=1S/C20H18ClNO3S/c1-2-25-19(23)18-20(24,14-6-4-3-5-7-14)16(12-22)17(26-18)13-8-10-15(21)11-9-13/h3-11,16-18,24H,2H2,1H3/t16-,17+,18-,20+/m1/s1
SMILES: CC1=CC=C(S1)C2=CC=C(C=C2)C(=O)N[C@H]3CCCC[C@H]3C(=O)NCC#N
InChI: InChI=1S/C21H23N3O2S/c1-14-6-11-19(27-14)15-7-9-16(10-8-15)20(25)24-18-5-3-2-4-17(18)21(26)23-13-12-22/h6-11,17-18H,2-5,13H2,1H3,(H,23,26)(H,24,25)/t17-,18+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]2[C@@H]([C@H]([C@@H](O1)O[C@H]([C@H]3COC(O3)(C)C)[C@H]4[C@@H](OC(O4)(C)C)C(OC)OC)O)OC(O2)(C)C
InChI: InChI=1S/C41H74O13/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30(42)46-26-28-33-34(52-40(4,5)51-33)31(43)37(48-28)49-32(29-27-47-39(2,3)50-29)35-36(38(44-8)45-9)54-41(6,7)53-35/h28-29,31-38,43H,10-27H2,1-9H3/t28-,29-,31-,32-,33+,34-,35+,36-,37+/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)COP(=S)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)CO)S)O)O
InChI: InChI=1S/C27H34N6O20P2S2/c34-7-10-20(18(40)23(49-10)32-5-2-14(36)29-26(32)43)52-55(46,57)48-9-12-21(19(41)24(51-12)33-6-3-15(37)30-27(33)44)53-54(45,56)47-8-11-16(38)17(39)22(50-11)31-4-1-13(35)28-25(31)42/h1-6,10-12,16-24,34,38-41H,7-9H2,(H,45,56)(H,46,57)(H,28,35,42)(H,29,36,43)(H,30,37,44)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,22-,23-,24-,54?,55?/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=C(C=C7)O)C(=O)N(C5=O)CCC8=CC=C(C=C8)O
InChI: InChI=1S/C41H37N3O6/c1-24-7-13-28(14-8-24)42-44-38(48)34-23-33-31(19-20-32-35(33)39(49)43(37(32)47)22-21-25-9-15-29(45)16-10-25)36(26-11-17-30(46)18-12-26)41(34,40(44)50)27-5-3-2-4-6-27/h2-19,32-36,42,45-46H,20-23H2,1H3/t32-,33+,34-,35-,36-,41+/m0/s1
SMILES: CCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C(C4=CC=CC=C4)C5=CC=CC=C5)O2
InChI: InChI=1S/C25H25NO4/c1-2-15-29-24(28)20-19-13-14-25(30-19)16-26(23(27)21(20)25)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,19-22H,2,15-16H2,1H3/t19-,20-,21+,25-/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H](C(=O)O2)NSC3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C16H14N2O4S/c19-16-15(13(22-16)10-11-6-2-1-3-7-11)17-23-14-9-5-4-8-12(14)18(20)21/h1-9,13,15,17H,10H2/t13-,15+/m1/s1
SMILES: CC(=O)OC[C@@]1([C@H](CC[C@]23[C@@H]1[C@@H]([C@@]([C@]45[C@H]2CC[C@H](C4)C(=C)C5=O)(OC3)O)O)O)C
InChI: InChI=1S/C22H30O7/c1-11-13-4-5-14-20-7-6-15(24)19(3,9-28-12(2)23)16(20)18(26)22(27,29-10-20)21(14,8-13)17(11)25/h13-16,18,24,26-27H,1,4-10H2,2-3H3/t13-,14+,15+,16-,18+,19-,20-,21+,22+/m1/s1
SMILES: CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N2C=C(N=N2)C(=O)NCCCO)O
InChI: InChI=1S/C13H22N4O6S/c1-24-13-11(21)9(10(20)8(6-19)23-13)17-5-7(15-16-17)12(22)14-3-2-4-18/h5,8-11,13,18-21H,2-4,6H2,1H3,(H,14,22)/t8-,9+,10+,11-,13+/m1/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)SC(=N)N2C3=C(C=C(C=C3Cl)Cl)Cl
InChI: InChI=1S/C11H9Cl3N2O2S2/c12-5-1-6(13)10(7(14)2-5)16-8-3-20(17,18)4-9(8)19-11(16)15/h1-2,8-9,15H,3-4H2/t8-,9-/m1/s1
SMILES: C1[C@H]([C@H](CS1(=O)=O)Cl)NC(=O)CSC2=C(C=C(C=C2)F)F
InChI: InChI=1S/C12H12ClF2NO3S2/c13-8-5-21(18,19)6-10(8)16-12(17)4-20-11-2-1-7(14)3-9(11)15/h1-3,8,10H,4-6H2,(H,16,17)/t8-,10+/m0/s1
SMILES: CC(=CCC/C(=C/CO/N=C/1\C[C@H]([C@H]([C@H]2[C@H]1CC[C@@H]3[C@H]2C(=O)N(C3=O)C[C@@H]4CCCO4)O)O)/C)C
InChI: InChI=1S/C27H40N2O6/c1-16(2)6-4-7-17(3)11-13-35-28-21-14-22(30)25(31)23-19(21)9-10-20-24(23)27(33)29(26(20)32)15-18-8-5-12-34-18/h6,11,18-20,22-25,30-31H,4-5,7-10,12-15H2,1-3H3/b17-11+,28-21+/t18-,19-,20+,22+,23-,24+,25+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@H](C(=O)N1CC2=CC=CC=C2)CC(=O)O)C(=O)C
InChI: InChI=1S/C16H19NO4/c1-10-15(11(2)18)13(8-14(19)20)16(21)17(10)9-12-6-4-3-5-7-12/h3-7,10,13,15H,8-9H2,1-2H3,(H,19,20)/t10-,13-,15-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)SC
InChI: InChI=1S/C18H25NO3S/c1-12-5-4-6-16(13(12)2)19-17(20)11-22-18(21)14-7-9-15(23-3)10-8-14/h7-10,12-13,16H,4-6,11H2,1-3H3,(H,19,20)/t12-,13+,16-/m0/s1
SMILES: C[C@]12CC[C@@]3(C(C1CC(CC2)(C)C(=O)[O-])CC(=O)[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C6=CC=CC=C6C(=O)[O-])C)C)C.[Na+].[Na+]
InChI: InChI=1S/C38H52O7.2Na/c1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6;;/h8-11,24-25,27-29H,12-21H2,1-7H3,(H,40,41)(H,43,44);;/q;2*+1/p-2/t24?,25?,27?,28-,29+,34-,35?,36-,37+,38+;;/m0../s1
SMILES: CC[C@@H]1[C@H](N(C1=O)[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H41NO2Si2/c1-12-15-16(13-14-22-24(10,11)19(5,6)7)20(17(15)21)23(8,9)18(2,3)4/h15-16H,12-14H2,1-11H3/t15-,16-/m1/s1
SMILES: C[C@@H]1[C@H]([NH+]([C@@H](C[C@@]1(CC2=CC=CC=C2)O)C3=CC=CC=C3)C)C4=CC=CC=C4
InChI: InChI=1S/C26H29NO/c1-20-25(23-16-10-5-11-17-23)27(2)24(22-14-8-4-9-15-22)19-26(20,28)18-21-12-6-3-7-13-21/h3-17,20,24-25,28H,18-19H2,1-2H3/p+1/t20-,24+,25+,26-/m1/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@H]1[C@H]([C@H](O[C@H](O1)C2=CC=C(C=C2)C3=CC=CC=C3CNS(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)CO)C
InChI: InChI=1S/C48H66N2O5S/c1-4-6-8-10-12-19-33-50(34-20-13-11-9-7-5-2)36-46-38(3)47(41-27-25-39(37-51)26-28-41)55-48(54-46)42-31-29-40(30-32-42)45-24-18-17-21-43(45)35-49-56(52,53)44-22-15-14-16-23-44/h14-18,21-32,38,46-49,51H,4-13,19-20,33-37H2,1-3H3/t38-,46+,47+,48+/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)CNC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)CN(C)C[C@H](C5=CC(=CC=C5)O)O
InChI: InChI=1S/C36H42F3N3O7/c1-22-31(20-41(2)19-30(45)27-5-3-6-28(44)17-27)48-34(49-32(22)25-12-10-24(21-43)11-13-25)26-14-8-23(9-15-26)18-40-33(46)29-7-4-16-42(29)35(47)36(37,38)39/h3,5-6,8-15,17,22,29-32,34,43-45H,4,7,16,18-21H2,1-2H3,(H,40,46)/t22-,29+,30-,31+,32+,34+/m1/s1
SMILES: CC(C)[C@@]1(CC[C@]2([C@H]1[C@H](C[C@]3(C[C@H]3C2)C)OC(=O)C4=CC=C(C=C4)O)C)O
InChI: InChI=1S/C23H32O4/c1-14(2)23(26)10-9-21(3)11-16-12-22(16,4)13-18(19(21)23)27-20(25)15-5-7-17(24)8-6-15/h5-8,14,16,18-19,24,26H,9-13H2,1-4H3/t16-,18+,19-,21-,22-,23-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H]3CCC4=CC=CC=C4C3=NN2C5=CC=CC=C5
InChI: InChI=1S/C24H22N2O/c1-27-20-14-11-18(12-15-20)24-22-16-13-17-7-5-6-10-21(17)23(22)25-26(24)19-8-3-2-4-9-19/h2-12,14-15,22,24H,13,16H2,1H3/t22-,24-/m1/s1
SMILES: CC[C@]1([C@@H]([C@@H](C[C@@H](O1)C(=O)OC)OC(C)(C)C)C)O[C@H](C2=CC=CC=C2)C(=O)OC(C)(C)C
InChI: InChI=1S/C26H40O7/c1-10-26(17(2)19(30-24(3,4)5)16-20(31-26)22(27)29-9)32-21(18-14-12-11-13-15-18)23(28)33-25(6,7)8/h11-15,17,19-21H,10,16H2,1-9H3/t17-,19-,20-,21-,26-/m1/s1
SMILES: CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC(C)(C)C)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(C)C(=O)CC6=CC(=CC=C6)OC)OCC=C)C
InChI: InChI=1S/C49H64N2O8/c1-9-25-56-49-44(51(7)45(54)28-34-15-14-17-36(27-34)55-8)31-42(50-59-48(4,5)6)40-29-35(16-10-12-23-52)39(18-11-13-24-53)46(47(40)49)41-30-38(21-22-43(41)58-49)57-37-20-19-32(2)33(3)26-37/h9,14-15,17,19-22,26-27,29-30,35,39,44,46-47,52-53H,1,10-13,16,18,23-25,28,31H2,2-8H3/t35-,39+,44-,46+,47+,49+/m0/s1
SMILES: CC(C)(C)OC(=O)NCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)OCC(Cl)(Cl)Cl)NC(=O)OCC(Cl)(Cl)Cl)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C43H49Cl6N3O14/c1-41(2,3)66-38(55)50-19-32(53)51-30(36(54)60-22-29-17-11-6-12-18-29)23-61-37-33(52-39(56)62-25-42(44,45)46)35(65-40(57)63-26-43(47,48)49)34(59-21-28-15-9-5-10-16-28)31(64-37)24-58-20-27-13-7-4-8-14-27/h4-18,30-31,33-35,37H,19-26H2,1-3H3,(H,50,55)(H,51,53)(H,52,56)/t30-,31+,33+,34+,35+,37+/m0/s1
SMILES: CCC(CC)C(=O)OCOC(=O)C1=C([C@@H]([C@H]2N1C(=O)[C@@H]2[C@@H](C)O)C)S[C@H]3C[C@H](NC3)C(=O)N(C)C
InChI: InChI=1S/C24H37N3O7S/c1-7-14(8-2)23(31)33-11-34-24(32)19-20(12(3)18-17(13(4)28)22(30)27(18)19)35-15-9-16(25-10-15)21(29)26(5)6/h12-18,25,28H,7-11H2,1-6H3/t12-,13-,15+,16+,17-,18-/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)O)O.C(C(CO)(CO)N)O
InChI: InChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4+,13-12+;/t15-,16+,17+,18-,19+;/m0./s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCCC4(C)C)C)C
InChI: InChI=1S/C29H50/c1-20(2)10-8-11-21(3)23-13-14-24-22-12-15-26-27(4,5)17-9-18-29(26,7)25(22)16-19-28(23,24)6/h15,20-25H,8-14,16-19H2,1-7H3/t21-,22+,23-,24+,25+,28-,29-/m1/s1
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O)N)C(=O)O
InChI: InChI=1S/C27H45N3O19/c28-8(24(42)30-3-1-2-9(30)25(43)44)4-13(32)29-23-20(39)17(36)15(34)11(47-23)6-45-27-22(41)19(38)16(35)12(49-27)7-46-26-21(40)18(37)14(33)10(5-31)48-26/h8-12,14-23,26-27,31,33-41H,1-7,28H2,(H,29,32)(H,43,44)/t8-,9-,10+,11+,12+,14+,15+,16+,17-,18-,19-,20+,21+,22+,23+,26-,27+/m0/s1
SMILES: CON=C(C1=CSC(=N1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)[C@@H]4CCCO4)C(=O)O
InChI: InChI=1S/C17H19N5O6S2/c1-27-21-10(8-6-30-17(18)19-8)13(23)20-11-14(24)22-12(16(25)26)7(5-29-15(11)22)9-3-2-4-28-9/h6,9,11,15H,2-5H2,1H3,(H2,18,19)(H,20,23)(H,25,26)/t9-,11+,15+/m0/s1
SMILES: COC1=CC(=CC2=C1C=CC3=C2C4=C(C=C3C(=O)O)OCO4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C23H22O11/c1-30-14-5-9(33-23-20(27)19(26)18(25)16(7-24)34-23)4-12-10(14)2-3-11-13(22(28)29)6-15-21(17(11)12)32-8-31-15/h2-6,16,18-20,23-27H,7-8H2,1H3,(H,28,29)/t16-,18-,19+,20-,23?/m1/s1
SMILES: C/C=C\1/C[C@H]([C@@](C(=O)OC[C@H]2[C@@H](CN3[C@H]2[C@@H](CC3)OC1=O)OC(=O)C)(C)O)C
InChI: InChI=1S/C20H29NO7/c1-5-13-8-11(2)20(4,25)19(24)26-10-14-16(27-12(3)22)9-21-7-6-15(17(14)21)28-18(13)23/h5,11,14-17,25H,6-10H2,1-4H3/b13-5-/t11-,14+,15-,16-,17-,20-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NN=C(O2)C3=C(OC=C3)C
InChI: InChI=1S/C18H25N3O3S/c1-10-6-5-7-15(11(10)2)19-16(22)13(4)25-18-21-20-17(24-18)14-8-9-23-12(14)3/h8-11,13,15H,5-7H2,1-4H3,(H,19,22)/t10-,11+,13+,15-/m0/s1
SMILES: C1CCC(CC1)C(=O)N=C2N([C@@H]3CS(=O)(=O)C[C@@H]3S2)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H21ClN2O3S2/c19-13-6-8-14(9-7-13)21-15-10-26(23,24)11-16(15)25-18(21)20-17(22)12-4-2-1-3-5-12/h6-9,12,15-16H,1-5,10-11H2/t15-,16+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)[C@]([NH2+][C@H]3C4=CC=CS4)(C)C(=O)OC
InChI: InChI=1S/C20H20N2O4S/c1-11-6-8-12(9-7-11)22-17(23)14-15(18(22)24)20(2,19(25)26-3)21-16(14)13-5-4-10-27-13/h4-10,14-16,21H,1-3H3/p+1/t14-,15+,16-,20+/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)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NC=CC=N6
InChI: InChI=1S/C35H34N4O7S/c1-22-29(21-47-34-36-15-6-16-37-34)45-33(46-31(22)25-13-11-23(19-40)12-14-25)26-9-5-10-27(17-26)39-30(41)18-28(32(39)42)38-35(43)44-20-24-7-3-2-4-8-24/h2-17,22,28-29,31,33,40H,18-21H2,1H3,(H,38,43)/t22-,28?,29+,31+,33+/m1/s1
SMILES: COC1=NC=C(C=C1)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C17H21N3O4/c1-24-15-7-6-11(10-18-15)19-14(21)8-9-20-16(22)12-4-2-3-5-13(12)17(20)23/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,19,21)/t12-,13-/m1/s1
SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CCCC[C@@H]2C(=O)N1)CO)CC(=O)N)CC(=O)O
InChI: InChI=1S/C24H38N6O9/c1-11(2)7-14-21(36)29-16(9-19(33)34)23(38)28-15(8-18(25)32)22(37)30-17(10-31)24(39)26-13-6-4-3-5-12(13)20(35)27-14/h11-17,31H,3-10H2,1-2H3,(H2,25,32)(H,26,39)(H,27,35)(H,28,38)(H,29,36)(H,30,37)(H,33,34)/t12-,13-,14-,15-,16-,17-/m0/s1
SMILES: COC1([C@@]2([C@H]3[C@H]4C[C@@H]([C@H]3[C@]1(C(=C2Cl)Cl)Cl)C5=CC6=CC7=CC=CC=C7C=C6C=C45)Cl)OC
InChI: InChI=1S/C26H20Cl4O2/c1-31-26(32-2)24(29)20-18-11-19(21(20)25(26,30)23(28)22(24)27)17-10-15-8-13-6-4-3-5-12(13)7-14(15)9-16(17)18/h3-10,18-21H,11H2,1-2H3/t18-,19+,20-,21+,24-,25+
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(N(N=C3C)C)C
InChI: InChI=1S/C17H25N5O3/c1-10-7-5-6-8-17(10)15(24)22(16(25)19-17)9-13(23)18-14-11(2)20-21(4)12(14)3/h10H,5-9H2,1-4H3,(H,18,23)(H,19,25)/t10-,17-/m0/s1
SMILES: CC(=C)[C@]1([C@@H]2CC[C@H]1C(=O)C2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C27H34O2Si/c1-20(2)27(21-16-17-24(27)25(28)18-21)19-29-30(26(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,21,24H,1,16-19H2,2-5H3/t21-,24+,27+/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=CC5=C(N4[C@@H]([C@H]3C2=O)C(=O)C6=CC=C(C=C6)Br)C=C(C=C5)Cl
InChI: InChI=1S/C29H20BrClN2O4/c1-15(34)16-5-11-21(12-6-16)32-28(36)24-22-13-7-17-4-10-20(31)14-23(17)33(22)26(25(24)29(32)37)27(35)18-2-8-19(30)9-3-18/h2-14,22,24-26H,1H3/t22-,24-,25-,26-/m0/s1
SMILES: C1CC12[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)C5=CC6=CC=CC=C6C=C5
InChI: InChI=1S/C21H17NO2/c23-19-17-15-7-8-16(21(15)9-10-21)18(17)20(24)22(19)14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11,15-18H,9-10H2/t15-,16+,17+,18-
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4C3C=CC(=O)C4
InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,11,13-16H,2,4,6-10H2,1H3/t11-,13?,14+,15+,16-,18-/m0/s1
SMILES: C[C@@]1([C@@H](C[C@H]2[C@H]([C@H]1[N+]#[C-])C3=CNC4=CC=CC(=C43)C2(C)C)Cl)C=C
InChI: InChI=1S/C21H23ClN2/c1-6-21(4)16(22)10-14-18(19(21)23-5)12-11-24-15-9-7-8-13(17(12)15)20(14,2)3/h6-9,11,14,16,18-19,24H,1,10H2,2-4H3/t14-,16+,18+,19+,21-/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)CNC(=O)OCC=C)CN4CCCCC4
InChI: InChI=1S/C29H38N2O5/c1-3-17-34-29(33)30-18-22-7-13-25(14-8-22)28-35-26(19-31-15-5-4-6-16-31)21(2)27(36-28)24-11-9-23(20-32)10-12-24/h3,7-14,21,26-28,32H,1,4-6,15-20H2,2H3,(H,30,33)/t21-,26+,27+,28+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H](N(N=N2)C3=CC(=O)OC(=C3)C)N4CCOCC4
InChI: InChI=1S/C19H22N4O3/c1-13-3-5-15(6-4-13)18-19(22-7-9-25-10-8-22)23(21-20-18)16-11-14(2)26-17(24)12-16/h3-6,11-12,18-19H,7-10H2,1-2H3/t18-,19+/m0/s1
SMILES: COC1=C(C=C(C=C1)CCNC(=O)COC(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3)OC
InChI: InChI=1S/C20H25NO5/c1-24-17-6-4-13(11-18(17)25-2)7-8-21-19(22)12-26-20(23)16-10-14-3-5-15(16)9-14/h3-6,11,14-16H,7-10,12H2,1-2H3,(H,21,22)/t14-,15+,16-/m1/s1
SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)[C@@H]2[C@H](CCC3=CC=CC=C23)CC(=O)N4CCN(CC4)C
InChI: InChI=1S/C26H32N2O5/c1-16-21(24(31)26(33-4)25(32-3)23(16)30)22-18(10-9-17-7-5-6-8-19(17)22)15-20(29)28-13-11-27(2)12-14-28/h5-8,18,22H,9-15H2,1-4H3/t18-,22-/m1/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N)O)(F)F
InChI: InChI=1S/C19H26F2N6O9S/c20-19(21)14(30)10(36-17(19)27-4-3-11(23)26-18(27)34)6-35-13(29)5-24-15(31)9(7-37)25-12(28)2-1-8(22)16(32)33/h3-4,8-10,14,17,30,37H,1-2,5-7,22H2,(H,24,31)(H,25,28)(H,32,33)(H2,23,26,34)/t8?,9?,10-,14-,17-/m1/s1
SMILES: CC1([C@@H]([C@H]1C(=O)OC(C#N)C2=NC(=CC=C2)OC3=CC=CC=C3)C4=CN=C(N=C4)C5CCCCC5)C
InChI: InChI=1S/C29H30N4O3/c1-29(2)25(20-17-31-27(32-18-20)19-10-5-3-6-11-19)26(29)28(34)36-23(16-30)22-14-9-15-24(33-22)35-21-12-7-4-8-13-21/h4,7-9,12-15,17-19,23,25-26H,3,5-6,10-11H2,1-2H3/t23?,25-,26+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O
InChI: InChI=1S/C11H17N3O12P2/c1-5(15)24-9-8(16)6(4-23-28(21,22)26-27(18,19)20)25-10(9)14-3-2-7(12)13-11(14)17/h2-3,6,8-10,16H,4H2,1H3,(H,21,22)(H2,12,13,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O)O)O)O
InChI: InChI=1S/2C12H24O11/c2*13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h2*4-21H,1-3H2/t4-,5-,6-,7+,8-,9-,10+,11-,12+;4-,5-,6-,7-,8-,9-,10+,11-,12+/m11/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@H](N[C@@]4([C@H]3C2=O)C5=CC=CC=C5NC4=O)CCSC
InChI: InChI=1S/C23H22N4O5S/c1-12-7-8-13(27(31)32)11-17(12)26-20(28)18-16(9-10-33-2)25-23(19(18)21(26)29)14-5-3-4-6-15(14)24-22(23)30/h3-8,11,16,18-19,25H,9-10H2,1-2H3,(H,24,30)/t16-,18+,19-,23-/m1/s1
SMILES: CN([C@@H]1C[C@H]([C@H](C[C@H]1N2CCCC2)OC)OC)C(=O)CC3=C4C=COC4=CC=C3
InChI: InChI=1S/C23H32N2O4/c1-24(23(26)13-16-7-6-8-20-17(16)9-12-29-20)18-14-21(27-2)22(28-3)15-19(18)25-10-4-5-11-25/h6-9,12,18-19,21-22H,4-5,10-11,13-15H2,1-3H3/t18-,19-,21-,22+/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]
InChI: InChI=1S/C16H21N3O3/c17-16(20)12-5-6-14(15(9-12)19(21)22)18-8-7-11-3-1-2-4-13(11)10-18/h5-6,9,11,13H,1-4,7-8,10H2,(H2,17,20)/t11-,13-/m1/s1
SMILES: C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4C(=O)C5=CC=CC=C5)C)C
InChI: InChI=1S/C35H54O3Si/c1-23(22-38-39(7,8)33(2,3)4)26-16-17-27-25-14-15-29-31(32(37)24-12-10-9-11-13-24)30(36)19-21-35(29,6)28(25)18-20-34(26,27)5/h9-13,23,25-29,31H,14-22H2,1-8H3/t23-,25-,26+,27-,28-,29-,31?,34+,35+/m0/s1
SMILES: C[C@H]1CC[C@@H](C2=C1C(=C(C(=C2)C)O[C@@H]3[C@H]([C@@H]([C@@H](CO3)O)O)OC(=O)C)O)C(C)CCC=C(C)C
InChI: InChI=1S/C27H40O7/c1-14(2)8-7-9-15(3)19-11-10-16(4)22-20(19)12-17(5)25(24(22)31)34-27-26(33-18(6)28)23(30)21(29)13-32-27/h8,12,15-16,19,21,23,26-27,29-31H,7,9-11,13H2,1-6H3/t15?,16-,19+,21+,23+,26-,27+/m0/s1
SMILES: CC(C)N[C@@H](C1=CC=C(C=C1)Cl)[C@@]2([C@H](N2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)Cl
InChI: InChI=1S/C24H24Cl2N2O2S/c1-17(2)27-22(18-13-15-20(25)16-14-18)24(26)23(19-9-5-3-6-10-19)28(24)31(29,30)21-11-7-4-8-12-21/h3-17,22-23,27H,1-2H3/t22-,23+,24+,28?/m0/s1
SMILES: CCCNC(=O)NCCCC(C)(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C35H50N4O10S/c1-4-15-36-33(41)37-16-8-14-35(2,3)22-39(50(43,44)25-11-12-29-30(19-25)48-23-47-29)20-28(40)27(18-24-9-6-5-7-10-24)38-34(42)49-31-21-46-32-26(31)13-17-45-32/h5-7,9-12,19,26-28,31-32,40H,4,8,13-18,20-23H2,1-3H3,(H,38,42)(H2,36,37,41)/t26-,27-,28+,31-,32+/m0/s1
SMILES: C[C@@H](CSC1=CC=CC=C1)[C@@H]([C@@H](C)[C@H]2[C@@H](OC(O2)(C)C)CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C24H42O4SSi/c1-17(16-29-19-13-11-10-12-14-19)21(25)18(2)22-20(27-24(6,7)28-22)15-26-30(8,9)23(3,4)5/h10-14,17-18,20-22,25H,15-16H2,1-9H3/t17-,18+,20-,21-,22-/m0/s1
SMILES: CC[C@@H]([C@@H]1C/C=C\C[C@@H]([C@@H](O1)C/C=C/C#C)Cl)Br
InChI: InChI=1S/C15H20BrClO/c1-3-5-6-11-15-13(17)9-7-8-10-14(18-15)12(16)4-2/h1,5-8,12-15H,4,9-11H2,2H3/b6-5+,8-7-/t12-,13-,14-,15-/m0/s1
SMILES: CC(=O)C1=CC2=CC3=C(CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@]5(C#C)O)C)C=C2O1
InChI: InChI=1S/C24H26O3/c1-4-24(26)10-8-20-18-6-5-15-12-22-16(13-21(27-22)14(2)25)11-19(15)17(18)7-9-23(20,24)3/h1,11-13,17-18,20,26H,5-10H2,2-3H3/t17-,18+,20-,23-,24-/m0/s1
SMILES: CCC[C@@](C)([C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)CC)/C=C\C)NC(=O)C)OC
InChI: InChI=1S/C19H34N2O3/c1-7-10-14-12-15(16(23)9-3)21-17(14)18(20-13(4)22)19(5,24-6)11-8-2/h7,10,14-15,17-18,21H,8-9,11-12H2,1-6H3,(H,20,22)/b10-7-/t14-,15-,17-,18-,19+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCC[C@H]2SC3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H20ClNO2S2/c1-13-5-11-16(12-6-13)24(21,22)20-17-3-2-4-18(17)23-15-9-7-14(19)8-10-15/h5-12,17-18,20H,2-4H2,1H3/t17-,18-/m1/s1
SMILES: CCOC(=O)O[C@@H]1C2=C([C@H](C[C@](C2(C)C)([C@H](C3[C@](C1=O)([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)C)OC(=O)C5=CC=CC=C5)O)OC(=O)[C@@H]([C@H](C6CC6)NC(=O)OCC(C)C)O)C
InChI: InChI=1S/C43H57NO16/c1-9-54-39(52)58-32-29-22(4)26(57-37(50)31(47)30(24-15-16-24)44-38(51)55-19-21(2)3)18-43(53,40(29,6)7)35(59-36(49)25-13-11-10-12-14-25)33-41(8,34(32)48)27(46)17-28-42(33,20-56-28)60-23(5)45/h10-14,21,24,26-28,30-33,35,46-47,53H,9,15-20H2,1-8H3,(H,44,51)/t26-,27-,28+,30-,31+,32+,33?,35-,41+,42-,43+/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=CC=C3I)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H14Cl2IN/c19-10-7-8-14(15(20)9-10)17-12-4-1-3-11(12)13-5-2-6-16(21)18(13)22-17/h1-3,5-9,11-12,17,22H,4H2/t11-,12+,17-/m1/s1
SMILES: C[C@H](CCC(=O)OC1(CCCCC1)C)C2CCC3[C@@]2([C@H](CC4C3[C@@H](CC5[C@@]4(CC[C@H](C5)O)C)O)O)C
InChI: InChI=1S/C31H52O5/c1-19(8-11-27(35)36-29(2)13-6-5-7-14-29)22-9-10-23-28-24(18-26(34)31(22,23)4)30(3)15-12-21(32)16-20(30)17-25(28)33/h19-26,28,32-34H,5-18H2,1-4H3/t19-,20?,21-,22?,23?,24?,25-,26+,28?,30+,31-/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CSC6=C(C=CC=N6)C(=O)O
InChI: InChI=1S/C42H43N3O8S2/c1-27-10-20-34(21-11-27)55(50,51)45-36(23-29-7-4-3-5-8-29)39(47)44-24-30-12-18-33(19-13-30)42-52-37(26-54-40-35(41(48)49)9-6-22-43-40)28(2)38(53-42)32-16-14-31(25-46)15-17-32/h3-22,28,36-38,42,45-46H,23-26H2,1-2H3,(H,44,47)(H,48,49)/t28-,36+,37+,38+,42?/m0/s1
SMILES: CCN(CC)S(=O)(=O)C[C@@]12CC[C@@H](C1(C)C)C[C@H]2OC(=O)[C@@]34CN3[C@H]5C=C[C@@H]4O5
InChI: InChI=1S/C21H32N2O5S/c1-5-22(6-2)29(25,26)13-20-10-9-14(19(20,3)4)11-16(20)28-18(24)21-12-23(21)17-8-7-15(21)27-17/h7-8,14-17H,5-6,9-13H2,1-4H3/t14-,15+,16-,17-,20-,21+,23?/m1/s1
SMILES: C/C/1=C\CCC2=C[C@@H]([C@H](CC/C(=C/CC1)/C)C(C)(C)OC(=O)C)OC2=O
InChI: InChI=1S/C22H32O4/c1-15-8-6-9-16(2)12-13-19(22(4,5)26-17(3)23)20-14-18(11-7-10-15)21(24)25-20/h9-10,14,19-20H,6-8,11-13H2,1-5H3/b15-10+,16-9+/t19-,20-/m0/s1
SMILES: CC[C@@H]1C(/C=C(/C=C/C(=N/OCC2=CC=C(C=C2)F)/[C@@H](C[C@@H]([C@@H](C([C@@H](CC(=O)O1)O)C)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C)O)N(C)C)O)CCN4CC(CC(C4)C)C)C)\C)CO
InChI: InChI=1S/C45H72FN3O9/c1-10-39-35(25-50)20-27(2)11-16-37(47-55-26-33-12-14-36(46)15-13-33)30(5)21-34(17-18-49-23-28(3)19-29(4)24-49)44(31(6)38(51)22-40(52)57-39)58-45-43(54)41(48(8)9)42(53)32(7)56-45/h11-16,20,28-32,34-35,38-39,41-45,50-51,53-54H,10,17-19,21-26H2,1-9H3/b16-11+,27-20+,47-37-/t28?,29?,30-,31?,32+,34+,35?,38-,39-,41-,42+,43+,44-,45-/m1/s1
SMILES: C[C@H]1CC[C@H](OC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H](C)C=O
InChI: InChI=1S/C17H32O4Si/c1-12-8-9-14(13(2)11-18)20-16(19)10-15(12)21-22(6,7)17(3,4)5/h11-15H,8-10H2,1-7H3/t12-,13+,14-,15+/m0/s1
SMILES: CC(=O)OC[C@]12C[C@H]1[C@@H](C[C@@]3([C@@H]2C[C@H]([C@H]4C3=CC[C@](C4)(C)[C@H](CO)Br)O)C)OC(=O)C
InChI: InChI=1S/C24H35BrO6/c1-13(27)30-12-24-9-17(24)19(31-14(2)28)10-23(4)16-5-6-22(3,21(25)11-26)8-15(16)18(29)7-20(23)24/h5,15,17-21,26,29H,6-12H2,1-4H3/t15-,17+,18-,19-,20+,21+,22+,23+,24-/m1/s1