EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[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)OC(=O)C)(C)OCC#C)C)C)NC(=O)O2)C
InChI: InChI=1S/C35H54N2O11/c1-13-15-43-34(9)17-18(3)26(39)20(5)29-35(10,48-33(42)36-29)25(14-2)46-31(41)22(7)27(40)21(6)30(34)47-32-28(45-23(8)38)24(37(11)12)16-19(4)44-32/h1,18-22,24-25,28-30,32H,14-17H2,2-12H3,(H,36,42)/t18-,19-,20+,21+,22-,24+,25-,28-,29-,30-,32+,34+,35-/m1/s1
SMILES: C[C@@]12[C@@H](CC[C@H]([C@@H]1[C@]34CCCO[C@H]3OC([C@@H]4C[C@@H]2O)(C)C)O[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C
InChI: InChI=1S/C30H58O6Si2/c1-27(2,3)38(10,11)36-21-13-14-24(34-20-32-17-18-37(7,8)9)29(6)23(31)19-22-28(4,5)35-26-30(22,25(21)29)15-12-16-33-26/h21-26,31H,12-20H2,1-11H3/t21-,22+,23+,24-,25+,26+,29-,30-/m1/s1
SMILES: C[C@@H]1CCC2[C@@](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)(C)C(=O)OCCCCl
InChI: InChI=1S/C18H27ClO6/c1-11-5-6-13-17(3,14(20)21-10-4-9-19)23-15-18(13)12(11)7-8-16(2,22-15)24-25-18/h11-13,15H,4-10H2,1-3H3/t11-,12+,13?,15+,16-,17+,18-/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=C2)C(F)(F)F)C3=CC(=C(C=C3O)F)C(=C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C29H21F10NO3/c1-13(2)21-10-22(24(41)11-23(21)30)20-5-4-17(27(31,32)33)8-16(20)12-40-14(3)25(43-26(40)42)15-6-18(28(34,35)36)9-19(7-15)29(37,38)39/h4-11,14,25,41H,1,12H2,2-3H3/t14-,25-/m0/s1
SMILES: CCCCCCCCCCCC[C@@H](C(=O)OC(C)(C)C)N=C1C[C@H]2C[C@@H]([C@@]1(C)O)C2(C)C
InChI: InChI=1S/C28H51NO3/c1-8-9-10-11-12-13-14-15-16-17-18-22(25(30)32-26(2,3)4)29-24-20-21-19-23(27(21,5)6)28(24,7)31/h21-23,31H,8-20H2,1-7H3/t21-,22+,23-,28-/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2[C@@H]3C(=O)C[C@H](C=C3NC4=NC=NN24)C5=CC=C(C=C5)C)O
InChI: InChI=1S/C24H24N4O3/c1-3-31-21-12-16(8-9-19(21)29)23-22-18(27-24-25-13-26-28(23)24)10-17(11-20(22)30)15-6-4-14(2)5-7-15/h4-10,12-13,17,22-23,29H,3,11H2,1-2H3,(H,25,26,27)/t17-,22-,23-/m0/s1
SMILES: C1CN(C2=CC=CC=C21)C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4
InChI: InChI=1S/C17H17NO3/c19-16(18-8-7-10-3-1-2-4-13(10)18)14-11-5-6-12(9-11)15(14)17(20)21/h1-6,11-12,14-15H,7-9H2,(H,20,21)/t11-,12+,14+,15+/m1/s1
SMILES: COC1=C(C=C(C(=C1)C2=COC3=CC(=C(C(=C3C2=O)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)O)O)O)OC
InChI: InChI=1S/C39H42O19/c1-49-23-11-20(22(41)12-24(23)50-2)21-14-53-25-13-26(34(51-3)35(52-4)29(25)30(21)43)57-37-33(46)32(45)31(44)27(58-37)15-54-38-36(47)39(48,17-56-38)16-55-28(42)10-7-18-5-8-19(40)9-6-18/h5-14,27,31-33,36-38,40-41,44-48H,15-17H2,1-4H3/b10-7+/t27-,31-,32+,33-,36+,37-,38-,39-/m1/s1
SMILES: C[C@@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH2+][C@H](C)CCC4=CC=CO4)C
InChI: InChI=1S/C23H33NO3/c1-15-6-4-10-23(3)13-21-18(12-20(15)23)19(22(25)27-21)14-24-16(2)8-9-17-7-5-11-26-17/h5,7,11-12,15-16,18-19,21,24H,4,6,8-10,13-14H2,1-3H3/p+1/t15-,16-,18-,19+,21-,23-/m1/s1
SMILES: CC(=O)[O-].C[C@@]1(CC[C@@H](C[C@@H]1/C=C\C2=CC=C(C=C2)Cl)O)C3CC[C@@]4(C([C@H]3CO)CCC4=C)C.[NH4+]
InChI: InChI=1S/C27H37ClO2.C2H4O2.H3N/c1-18-4-11-24-23(17-29)25(13-15-26(18,24)2)27(3)14-12-22(30)16-20(27)8-5-19-6-9-21(28)10-7-19;1-2(3)4;/h5-10,20,22-25,29-30H,1,4,11-17H2,2-3H3;1H3,(H,3,4);1H3/b8-5-;;/t20-,22-,23+,24?,25?,26-,27-;;/m0../s1
SMILES: C1=CC=C(C(=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)N
InChI: InChI=1S/C13H15NO8/c14-6-4-2-1-3-5(6)12(20)22-13-9(17)7(15)8(16)10(21-13)11(18)19/h1-4,7-10,13,15-17H,14H2,(H,18,19)/t7-,8-,9+,10-,13-/m0/s1
SMILES: CCCCCCCCC[N+](C)(C)CO[C@@H]1C[C@@H](CC[C@H]1C(C)C)C
InChI: InChI=1S/C22H46NO/c1-7-8-9-10-11-12-13-16-23(5,6)18-24-22-17-20(4)14-15-21(22)19(2)3/h19-22H,7-18H2,1-6H3/q+1/t20-,21+,22-/m1/s1
SMILES: C[C@H]1[C@@H]([C@](C[C@H]([C@@]2([C@H]3[C@@]1(CCC2C)CCC3=O)C)OC(=O)NC(=O)OCCN4CCNCC4)(C)C=C)O
InChI: InChI=1S/C28H45N3O6/c1-6-26(4)17-21(37-25(35)30-24(34)36-16-15-31-13-11-29-12-14-31)27(5)18(2)7-9-28(19(3)23(26)33)10-8-20(32)22(27)28/h6,18-19,21-23,29,33H,1,7-17H2,2-5H3,(H,30,34,35)/t18?,19-,21+,22-,23-,26+,27+,28-/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC(=C3C)C)C(C)C
InChI: InChI=1S/C27H35NO4/c1-17(2)21-14-13-18(3)15-25(21)32-26(29)16-31-27(30)22-10-6-7-11-24(22)28-23-12-8-9-19(4)20(23)5/h6-12,17-18,21,25,28H,13-16H2,1-5H3/t18-,21-,25+/m1/s1
SMILES: C1C[C@@H]2[C@H](C1)N(C2=O)C(/C=C/C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C23H24N2O2/c26-22(24-16-18-10-5-2-6-11-18)21(15-14-17-8-3-1-4-9-17)25-20-13-7-12-19(20)23(25)27/h1-6,8-11,14-15,19-21H,7,12-13,16H2,(H,24,26)/b15-14+/t19-,20+,21?/m1/s1
SMILES: CC(=O)[C@@H]1[C@H]([C@@H](C(=O)N[C@@]1(C)O)C#N)C2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C15H15N3O5/c1-8(19)13-12(9-4-3-5-10(6-9)18(22)23)11(7-16)14(20)17-15(13,2)21/h3-6,11-13,21H,1-2H3,(H,17,20)/t11-,12-,13+,15-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2C4=CC(=O)OC4(C)C)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C25H30O3/c1-24(2)22(14-23(26)28-24)21-10-9-20-19-7-5-15-13-16(27-4)6-8-17(15)18(19)11-12-25(20,21)3/h6,8,10,13-14,18-20H,5,7,9,11-12H2,1-4H3/t18-,19-,20+,25+/m1/s1
SMILES: CCOC(=O)C[C@H]1C[C@H](O[C@@]2(O1)C[C@@H](CC[C@H]2C(C)C)C)C=C
InChI: InChI=1S/C19H32O4/c1-6-15-10-16(11-18(20)21-7-2)23-19(22-15)12-14(5)8-9-17(19)13(3)4/h6,13-17H,1,7-12H2,2-5H3/t14-,15-,16-,17+,19-/m1/s1
SMILES: CCN1C[C@@]2(CCC(C34[C@@H]1[C@H](C([C@H]23)OC)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5C6OC(=O)C)OC)OC(=O)C)O)CO
InChI: InChI=1S/C27H41NO8/c1-6-28-11-25(12-29)8-7-18(32)27-16-9-15-17(33-4)10-26(36-14(3)31,19(16)21(15)35-13(2)30)20(24(27)28)22(34-5)23(25)27/h15-24,29,32H,6-12H2,1-5H3/t15-,16-,17+,18?,19-,20+,21?,22?,23-,24+,25+,26-,27?/m1/s1
SMILES: CCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C46H58N2O9/c1-3-25-55-46-41(48(45(52)53-4-2)30-33-17-13-16-31-14-5-6-18-35(31)33)29-39(47-57-42-20-9-12-26-54-42)37-27-32(15-7-10-23-49)36(19-8-11-24-50)43(44(37)46)38-28-34(51)21-22-40(38)56-46/h3,5-6,13-14,16-18,21-22,27-28,32,36,41-44,49-51H,1,4,7-12,15,19-20,23-26,29-30H2,2H3/t32-,36+,41-,42?,43+,44+,46+/m0/s1
SMILES: CC(C)[Si](C1=CN([C@@H](CC1=O)CCCO)C(=O)O[C@@H]2CCCC[C@H]2C(C)(C)C3=CC=CC=C3)(C(C)C)C(C)C
InChI: InChI=1S/C33H53NO4Si/c1-23(2)39(24(3)4,25(5)6)31-22-34(27(17-14-20-35)21-29(31)36)32(37)38-30-19-13-12-18-28(30)33(7,8)26-15-10-9-11-16-26/h9-11,15-16,22-25,27-28,30,35H,12-14,17-21H2,1-8H3/t27-,28-,30-/m1/s1
SMILES: C[C@@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23+,24+,25-,26-,27+/m0/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=CC=C(C5=CC=CC=C45)O)C(=O)C=C(C3=O)Br)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)Br
InChI: InChI=1S/C32H21Br2NO5/c33-15-5-7-16(8-6-15)35-31(39)21-10-9-20-22(28(21)32(35)40)13-23-29(26(37)14-24(34)30(23)38)27(20)19-11-12-25(36)18-4-2-1-3-17(18)19/h1-9,11-12,14,21-22,27-28,36H,10,13H2/t21-,22+,27-,28-/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC(=CC=C1)F)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H19FN2O5/c1-11(22-17(24)14-7-2-3-8-15(14)18(22)25)19(26)27-10-16(23)21-13-6-4-5-12(20)9-13/h2-6,9,11,14-15H,7-8,10H2,1H3,(H,21,23)/t11-,14-,15+/m0/s1
SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1(CCC3C2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C
InChI: InChI=1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t17-,18-,19-,20?,21-,22?,23?,25+,26-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CC[N+]4=C3N(N=C4)C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C16H20N4O4S/c1-7-11-10(8(2)21)15(22)20(11)12(16(23)24)13(7)25-9-4-5-19-6-17-18(3)14(9)19/h6-11,21H,4-5H2,1-3H3/p+1/t7-,8-,9?,10-,11-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C14H14N2O4/c17-13-11-6-1-2-7-12(11)14(18)15(13)9-4-3-5-10(8-9)16(19)20/h3-5,8,11-12H,1-2,6-7H2/t11-,12+
SMILES: CC1(O[C@@H]2[C@@H]3C[C@H]([C@@H]2O1)[N+]4=C(C5=C(N=C4)N([C@H]6[C@H]7[C@@H]([C@H](O6)COP(=O)(OP(=O)(OC3)O)O)OC(O7)(C)C)C(=N5)N=[N+]=[N-])N)C
InChI: InChI=1S/C22H30N8O12P2/c1-21(2)38-13-9-5-10(14(13)39-21)29-8-25-18-12(17(29)23)26-20(27-28-24)30(18)19-16-15(40-22(3,4)41-16)11(37-19)7-36-44(33,34)42-43(31,32)35-6-9/h8-11,13-16,19,23H,5-7H2,1-4H3,(H2,31,32,33,34)/p+1/t9-,10-,11-,13-,14+,15-,16-,19-/m1/s1
SMILES: COC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOC)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OCC=C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C41H52N2O10/c1-5-19-49-29-14-16-34-32(23-29)38-30(12-8-10-18-45)28(11-7-9-17-44)22-31-33(42-48-4)24-37(41(53-34,39(31)38)52-20-6-2)43(40(46)47-3)25-27-13-15-35-36(21-27)51-26-50-35/h5-6,13-16,21-23,28,30,37-39,44-45H,1-2,7-12,17-20,24-26H2,3-4H3/t28-,30+,37-,38+,39+,41+/m0/s1
SMILES: CC1=C(C[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)C
InChI: InChI=1S/C17H18ClNO2/c1-9-4-5-12(8-15(9)18)19-16(20)13-6-10(2)11(3)7-14(13)17(19)21/h4-5,8,13-14H,6-7H2,1-3H3/t13-,14-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C3=C(C=C2)C(=C4C=COC4=N3)OC)OC)O)O)O
InChI: InChI=1S/C19H21NO8/c1-8-13(21)14(22)15(23)19(27-8)28-11-5-4-9-12(17(11)25-3)20-18-10(6-7-26-18)16(9)24-2/h4-8,13-15,19,21-23H,1-3H3/t8-,13-,14+,15+,19-/m0/s1
SMILES: CN(C)C1=CC(=CC=C1)OC2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)NC5=CC=C(C=C5)OC
InChI: InChI=1S/C23H27N7O5/c1-29(2)15-5-4-6-17(11-15)35-23-26-27-28-30(23)19-13-34-20-18(12-33-21(19)20)25-22(31)24-14-7-9-16(32-3)10-8-14/h4-11,18-21H,12-13H2,1-3H3,(H2,24,25,31)/t18-,19-,20+,21+/m0/s1
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)S[C@@H]4[C@@H](C(=O)N4)NC(=O)COC5=CC=CC=C5
InChI: InChI=1S/C30H26N2O3S/c33-26(21-35-25-19-11-4-12-20-25)31-27-28(34)32-29(27)36-30(22-13-5-1-6-14-22,23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-20,27,29H,21H2,(H,31,33)(H,32,34)/t27-,29-/m1/s1
SMILES: COC1=C(C(=C(C(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC=CC(=C7)C(=O)O)Br)Br)O
InChI: InChI=1S/C34H19Br2Cl2F5N2O8/c1-53-16-8-14(19(35)20(36)27(16)46)18-12-5-6-13-17(29(48)44(28(13)47)11-4-2-3-10(7-11)30(49)50)15(12)9-33(37)31(51)45(32(52)34(18,33)38)26-24(42)22(40)21(39)23(41)25(26)43/h2-5,7-8,13,15,17-18,46H,6,9H2,1H3,(H,49,50)/t13-,15+,17-,18+,33+,34-/m0/s1
SMILES: CCCCCCCCCCCC(=O)OC[C@H](C1C(=O)C(C(=O)O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI: InChI=1S/C24H40O12/c1-2-3-4-5-6-7-8-9-10-11-16(27)33-13-14(26)21-20(31)22(23(32)35-21)36-24-19(30)18(29)17(28)15(12-25)34-24/h14-15,17-19,21-22,24-26,28-30H,2-13H2,1H3/t14-,15-,17-,18+,19-,21?,22?,24-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1OC(=O)C)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])I
InChI: InChI=1S/C16H16INO9/c1-8(19)25-14-13(17)12(27-16(14)26-9(2)20)7-24-15(21)10-3-5-11(6-4-10)18(22)23/h3-6,12-14,16H,7H2,1-2H3/t12-,13-,14-,16-/m1/s1
SMILES: C[C@@H]1[C@H]2[C@@H]3[C@@H]([C@@H]4[C@H](O3)OC(O4)(C)C)OCC2=CC1=O
InChI: InChI=1S/C14H18O5/c1-6-8(15)4-7-5-16-11-10(9(6)7)17-13-12(11)18-14(2,3)19-13/h4,6,9-13H,5H2,1-3H3/t6-,9+,10+,11-,12+,13+/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C
InChI: InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
SMILES: COC[C@@]12CC[C@@H]([C@@]34[C@@H]1C[C@@H]([C@@H]3NC2=O)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)OC
InChI: InChI=1S/C22H33NO6/c1-27-9-20-5-4-15(29-3)22-11-6-10-13(28-2)8-21(26,16(11)17(10)24)12(7-14(20)22)18(22)23-19(20)25/h10-18,24,26H,4-9H2,1-3H3,(H,23,25)/t10-,11-,12+,13+,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1
SMILES: CC1=C(C=C(C=C1)F)NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)[O-])O3
InChI: InChI=1S/C15H16FNO4/c1-7-2-3-8(16)6-9(7)17-14(18)12-10-4-5-11(21-10)13(12)15(19)20/h2-3,6,10-13H,4-5H2,1H3,(H,17,18)(H,19,20)/p-1/t10-,11+,12-,13+/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)CO)O)C
InChI: InChI=1S/C24H40O5/c1-14(3-6-21(28)29)17-4-5-18-22-19(8-9-23(17,18)2)24(13-25)10-7-16(26)11-15(24)12-20(22)27/h14-20,22,25-27H,3-13H2,1-2H3,(H,28,29)/t14-,15+,16-,17-,18+,19+,20-,22+,23-,24-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H](N1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CF)O)O)O)O)O)O
InChI: InChI=1S/C17H30FNO12/c18-1-7-9(23)10(24)12(26)16(28-7)31-15-8(4-21)29-17(13(27)11(15)25)30-14-5(3-20)19-2-6(14)22/h5-17,19-27H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16+,17-/m1/s1
SMILES: CCCN1[C@@H]([C@H]([C@H]([C@H](C1=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CNC(=S)NC5=CC=C(C=C5)Cl
InChI: InChI=1S/C37H40ClN3O4S/c1-2-22-41-32(23-39-37(46)40-31-20-18-30(38)19-21-31)33(43-24-27-12-6-3-7-13-27)34(44-25-28-14-8-4-9-15-28)35(36(41)42)45-26-29-16-10-5-11-17-29/h3-21,32-35H,2,22-26H2,1H3,(H2,39,40,46)/t32-,33-,34-,35-/m1/s1
SMILES: CC1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C22H24N2O3/c1-13-8-10-23(11-9-13)20(25)14-4-6-17(7-5-14)24-21(26)18-15-2-3-16(12-15)19(18)22(24)27/h2-7,13,15-16,18-19H,8-12H2,1H3/t15-,16+,18-,19-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)CCC5=NC6=CC(=C(C=C6N(C5=O)C)OC)OC)[C@@H]1C7=C(C=C(C=C7OC)OC)O)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C40H40N6O10/c1-40-24(35(48)45(37(40)50)21-10-8-7-9-11-21)18-27-23(34(40)33-29(47)16-22(53-3)17-32(33)56-6)12-15-44-38(51)43(39(52)46(27)44)14-13-25-36(49)42(2)28-20-31(55-5)30(54-4)19-26(28)41-25/h7-12,16-17,19-20,24,27,34,47H,13-15,18H2,1-6H3/t24-,27+,34+,40+/m0/s1
SMILES: COC1=C2C(=C3C(=C1O)[C@@]4(C(=C(C(=O)C5=CC[C@@H](O[C@@]54O3)C6=CC=CC=C6)OC)OC)OC)[C@H](C[C@@H](O2)C7=CC=CC=C7)O
InChI: InChI=1S/C34H32O10/c1-38-30-27(37)25-28(24-21(35)17-23(42-29(24)30)19-13-9-6-10-14-19)44-34-20(15-16-22(43-34)18-11-7-5-8-12-18)26(36)31(39-2)32(40-3)33(25,34)41-4/h5-15,21-23,35,37H,16-17H2,1-4H3/t21-,22+,23+,33-,34+/m0/s1
SMILES: CC(C)(C)N1C[C@H]([C@@H](C1)C(=O)N2CCC3(CC2)C[C@@H](C4C3CCCC4)C(=O)NC)C5=C(C=C(C=C5)F)F
InChI: InChI=1S/C30H43F2N3O2/c1-29(2,3)35-17-23(21-10-9-19(31)15-26(21)32)24(18-35)28(37)34-13-11-30(12-14-34)16-22(27(36)33-4)20-7-5-6-8-25(20)30/h9-10,15,20,22-25H,5-8,11-14,16-18H2,1-4H3,(H,33,36)/t20?,22-,23-,24+,25?/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)C#CCCCO)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C35H30N2O9/c38-22-12-4-11-19-27-20-21-37(35(42)36-27)31-30(46-34(41)26-17-9-3-10-18-26)29(45-33(40)25-15-7-2-8-16-25)28(44-31)23-43-32(39)24-13-5-1-6-14-24/h1-3,5-10,13-18,20-21,28-31,38H,4,12,22-23H2/t28-,29-,30-,31-/m1/s1
SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C22H28N2O6/c1-4-29-16-11-9-15(10-12-16)23-19(25)14(3)30-22(28)13(2)24-20(26)17-7-5-6-8-18(17)21(24)27/h9-14,17-18H,4-8H2,1-3H3,(H,23,25)/t13-,14+,17-,18+/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@@H](C1(C)C)CC[C@@]3([C@@H]2C(=O)C=C4[C@@]3(CC[C@@]5([C@@H]4C[C@@](CC5)(C)C(=O)OCCN6CCCCC6)C)C)C)C
InChI: InChI=1S/C39H61NO5/c1-26(41)45-31-13-14-37(6)30(34(31,2)3)12-15-39(8)32(37)29(42)24-27-28-25-36(5,17-16-35(28,4)18-19-38(27,39)7)33(43)44-23-22-40-20-10-9-11-21-40/h24,28,30-32H,9-23,25H2,1-8H3/t28-,30-,31-,32-,35-,36+,37+,38+,39-/m1/s1
SMILES: C1OC2=C(O1)C(=C3C(=C2)C4=C[C@@H]([C@@H]5[C@H]([C@@H]4NC3=O)OP(=O)(O5)[O-])O)O.C1OC2=C(O1)C(=C3C(=C2)C4=C[C@@H]([C@@H]5[C@H]([C@@H]4NC3=O)OP(=O)(O5)[O-])O)O.[Zn+2]
InChI: InChI=1S/2C14H12NO9P.Zn/c2*16-6-1-5-4-2-7-12(22-3-21-7)10(17)8(4)14(18)15-9(5)13-11(6)23-25(19,20)24-13;/h2*1-2,6,9,11,13,16-17H,3H2,(H,15,18)(H,19,20);/q;;+2/p-2/t2*6-,9+,11+,13-;/m00./s1
SMILES: CC1=C[C@@]2(CC[C@H]3CC[C@@H]4[C@@]3(C1)[C@H]2CC=C4SC5=CC=CC=C5)OCC(C)C
InChI: InChI=1S/C26H34OS/c1-18(2)17-27-25-14-13-20-9-10-22-23(28-21-7-5-4-6-8-21)11-12-24(25)26(20,22)16-19(3)15-25/h4-8,11,15,18,20,22,24H,9-10,12-14,16-17H2,1-3H3/t20-,22+,24+,25-,26+/m1/s1
SMILES: COCNC(=O)[C@@H]1[C@H]2CCC(N2CCCN(CCS)CC(=O)NCCS)C[C@H]1C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C29H42N4O3S2/c1-36-20-31-29(35)28-25(23-8-7-21-5-2-3-6-22(21)17-23)18-24-9-10-26(28)33(24)13-4-12-32(14-16-38)19-27(34)30-11-15-37/h2-3,5-8,17,24-26,28,37-38H,4,9-16,18-20H2,1H3,(H,30,34)(H,31,35)/t24?,25-,26+,28-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)C(CCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCC)O)O)O)O)O)O)O)O
InChI: InChI=1S/C76H146O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63(77)61(55-51-47-43-39-35-31-27-23-19-15-11-7-3)73(85)87-59-65-67(79)69(81)71(83)75(89-65)91-76-72(84)70(82)68(80)66(90-76)60-88-74(86)62(56-52-48-44-40-36-32-28-24-20-16-12-8-4)64(78)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h61-72,75-84H,5-60H2,1-4H3/t61?,62?,63?,64?,65-,66-,67-,68-,69+,70+,71+,72+,75-,76?/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CC[N+](=O)[O-])OC[C@@H]3[C@@H]([C@@H]4[C@H](O3)OC(O4)(C)C)OCC=C)C
InChI: InChI=1S/C20H31NO10/c1-6-9-24-14-12(27-18-16(14)29-20(4,5)31-18)10-25-13-11(7-8-21(22)23)26-17-15(13)28-19(2,3)30-17/h6,11-18H,1,7-10H2,2-5H3/t11-,12-,13+,14+,15-,16-,17-,18-/m1/s1
SMILES: CC[C@@H]\1[C@@H](N[C@@H](C/C1=N\O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H22N2O/c1-2-16-18(21-22)13-17(14-9-5-3-6-10-14)20-19(16)15-11-7-4-8-12-15/h3-12,16-17,19-20,22H,2,13H2,1H3/b21-18+/t16-,17-,19-/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@@H]4[C@H]([C@@H](O3)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC(=C(C=C6)F)[N+](=O)[O-]
InChI: InChI=1S/C26H14ClFN2O7/c27-13-7-5-12(6-8-13)21-19-20(26(37-21)22(31)15-3-1-2-4-16(15)23(26)32)25(34)29(24(19)33)14-9-10-17(28)18(11-14)30(35)36/h1-11,19-21H/t19-,20-,21+/m1/s1
SMILES: CC1(O[C@H]2[C@H]3C=C[C@@H]([C@H]2O1)N4N3C(=O)N(C4=O)C5=CC=CC=C5)C
InChI: InChI=1S/C17H17N3O4/c1-17(2)23-13-11-8-9-12(14(13)24-17)20-16(22)18(15(21)19(11)20)10-6-4-3-5-7-10/h3-9,11-14H,1-2H3/t11-,12+,13+,14-
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)NC(=O)NC
InChI: InChI=1S/C21H28N4O3S/c1-12-8-7-11-17(13(12)2)25-19(27)15-9-5-6-10-16(15)23-21(25)29-14(3)18(26)24-20(28)22-4/h5-6,9-10,12-14,17H,7-8,11H2,1-4H3,(H2,22,24,26,28)/t12-,13+,14-,17-/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)C3=CC=CC=C3)[Si](C/C(=C\C)/C)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C39H46O4Si/c1-4-6-10-19-33(44(28-29(3)5-2,31-20-13-8-14-21-31)32-22-15-9-16-23-32)24-25-34-35-26-38(40)42-37(35)27-36(34)43-39(41)30-17-11-7-12-18-30/h5,7-9,11-18,20-25,33-37H,4,6,10,19,26-28H2,1-3H3/b25-24+,29-5-/t33-,34+,35+,36+,37-/m0/s1
SMILES: CNC(=O)C[C@]1([C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO)O
InChI: InChI=1S/C12H18N4O6/c1-14-8(18)4-12(21)6(5-17)22-10(9(12)19)16-3-2-7(13)15-11(16)20/h2-3,6,9-10,17,19,21H,4-5H2,1H3,(H,14,18)(H2,13,15,20)/t6-,9+,10-,12-/m1/s1
SMILES: COC1=CC=CC=C1C2=NO[C@@H](C2)CN(CC=C)C(=O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C24H26N2O3/c1-3-13-26(24(27)21-15-20(21)17-9-5-4-6-10-17)16-18-14-22(25-29-18)19-11-7-8-12-23(19)28-2/h3-12,18,20-21H,1,13-16H2,2H3/t18-,20-,21+/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NCC6=CC(=CC=C6)N)O
InChI: InChI=1S/C34H36N2O10/c1-15-29(38)21(36-14-17-6-4-7-18(35)10-17)11-24(45-15)46-23-13-34(43,16(2)37)12-20-26(23)33(42)28-27(31(20)40)30(39)19-8-5-9-22(44-3)25(19)32(28)41/h4-10,15,21,23-24,29,36,38,40,42-43H,11-14,35H2,1-3H3/t15-,21-,23-,24-,29+,34-/m0/s1
SMILES: C[C@]12CCC[N+]([C@@H]1CCC3C2CC[C@]4(C3CCC[N+]4(C)C)C)(C)C
InChI: InChI=1S/C22H42N2/c1-21-13-8-15-23(3,4)20(21)11-10-17-18(21)12-14-22(2)19(17)9-7-16-24(22,5)6/h17-20H,7-16H2,1-6H3/q+2/t17?,18?,19?,20-,21-,22+/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C19H34O16/c1-30-17-15(29)12(26)16(35-19-14(28)11(25)9(23)6(3-21)33-19)7(34-17)4-31-18-13(27)10(24)8(22)5(2-20)32-18/h5-29H,2-4H2,1H3/t5-,6-,7-,8-,9-,10+,11+,12-,13-,14-,15-,16-,17-,18+,19-/m1/s1
SMILES: CC(=O)OC[C@@]12[C@H](C[C@@H](C(=C)[C@H]1[C@@H]([C@@H]3CC(=O)[C@@]4([C@@]([C@]3(CO4)C)([C@H]([C@@H]2OC(=O)C)OC(=O)C)O)C)OC(=O)C)O)OC(=O)C
InChI: InChI=1S/C30H40O14/c1-13-20(36)10-22(41-15(3)32)29(12-39-14(2)31)23(13)24(42-16(4)33)19-9-21(37)28(8)30(38,27(19,7)11-40-28)26(44-18(6)35)25(29)43-17(5)34/h19-20,22-26,36,38H,1,9-12H2,2-8H3/t19-,20-,22-,23-,24+,25-,26-,27-,28+,29+,30-/m0/s1
SMILES: C=C(CC1=CC=CC=C1)C(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O
InChI: InChI=1S/C19H19NO2/c1-13(11-14-7-3-2-4-8-14)19(22)20-18-16-10-6-5-9-15(16)12-17(18)21/h2-10,17-18,21H,1,11-12H2,(H,20,22)/t17-,18+/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC(=C(C=C4)Cl)Cl)C(=O)C5CCCC5)C(=O)NCCO)C=O
InChI: InChI=1S/C30H32Cl2N2O7/c1-40-24-12-17(15-36)10-19-25-20(29(38)33-8-9-35)13-23(26(37)28(25)41-27(19)24)34(30(39)18-4-2-3-5-18)14-16-6-7-21(31)22(32)11-16/h6-7,10-13,15,18,23,25-26,28,35,37H,2-5,8-9,14H2,1H3,(H,33,38)/t23-,25+,26+,28+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI: InChI=1S/C16H22ClN5O2S2/c1-9-4-3-5-13(10(9)2)18-15(25)20-21-16(26)19-14-8-11(22(23)24)6-7-12(14)17/h6-10,13H,3-5H2,1-2H3,(H2,18,20,25)(H2,19,21,26)/t9-,10-,13+/m1/s1
SMILES: CC1(O[C@@H]2[C@H](OC([C@@H]2O1)O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)C
InChI: InChI=1S/C28H30O6/c1-27(2)33-24-23(32-26(29)25(24)34-27)18-31-28(19-10-6-4-7-11-19,20-12-8-5-9-13-20)21-14-16-22(30-3)17-15-21/h4-17,23-26,29H,18H2,1-3H3/t23-,24-,25-,26?/m1/s1
SMILES: C/C=C/1\CN2CC[C@H]1[C@@]3(C[C@H]4CC\5C(C(CC6=C4N3C7=CC=CC=C67)N(C/C5=C/C)C)C(=O)OC)C8=C(C2)C9=CC=CC=C9N8
InChI: InChI=1S/C39H44N4O2/c1-5-23-20-41(3)34-18-29-27-12-8-10-14-33(27)43-36(29)25(17-28(23)35(34)38(44)45-4)19-39(43)31-15-16-42(21-24(31)6-2)22-30-26-11-7-9-13-32(26)40-37(30)39/h5-14,25,28,31,34-35,40H,15-22H2,1-4H3/b23-5-,24-6+/t25-,28?,31-,34?,35?,39+/m1/s1
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OC2=CN=C(C=C2)NC(=O)N[C@@H]3[C@H]4[C@@H]3C5=C(C=CC(=C5OC4)F)F
InChI: InChI=1S/C23H19F2N3O5S/c1-34(30,31)14-5-2-12(3-6-14)33-13-4-9-18(26-10-13)27-23(29)28-21-15-11-32-22-17(25)8-7-16(24)20(22)19(15)21/h2-10,15,19,21H,11H2,1H3,(H2,26,27,28,29)/t15-,19-,21-/m1/s1
SMILES: CC1=CC=CC=C1[C@H](C=C)[C@@H](C(=O)N2[C@@H]3C[C@H]4CC[C@@]3(C4(C)C)CS2(=O)=O)NOCC5=CC=CC=C5
InChI: InChI=1S/C29H36N2O4S/c1-5-23(24-14-10-9-11-20(24)2)26(30-35-18-21-12-7-6-8-13-21)27(32)31-25-17-22-15-16-29(25,28(22,3)4)19-36(31,33)34/h5-14,22-23,25-26,30H,1,15-19H2,2-4H3/t22-,23+,25-,26+,29-/m1/s1
SMILES: CCCCSC1=NC2=C(C3=CC=CC=C3N[C@@H](O2)[C@H]4CC=C(C[C@@H]4C)CCC=C(C)C)N=N1
InChI: InChI=1S/C27H36N4OS/c1-5-6-16-33-27-29-26-24(30-31-27)22-12-7-8-13-23(22)28-25(32-26)21-15-14-20(17-19(21)4)11-9-10-18(2)3/h7-8,10,12-14,19,21,25,28H,5-6,9,11,15-17H2,1-4H3/t19-,21-,25-/m0/s1
SMILES: C[C@]1([C@@H]([C@H](OC1N2C3=NC=NC(=C3C(=N2)/C=C/C(=O)OC)N)CO)O)O
InChI: InChI=1S/C15H19N5O6/c1-15(24)11(23)8(5-21)26-14(15)20-13-10(12(16)17-6-18-13)7(19-20)3-4-9(22)25-2/h3-4,6,8,11,14,21,23-24H,5H2,1-2H3,(H2,16,17,18)/b4-3+/t8-,11-,14?,15-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@@H](CC2=CC=C(C=C2)OCC3=NN=NN3CC4=CC=CC=C4)C(=O)N[C@@H]5[C@@H](CC6=CC=CC=C56)O)O
InChI: InChI=1S/C42H48N6O6/c1-42(2,3)54-41(52)43-35(23-28-12-6-4-7-13-28)36(49)25-32(40(51)44-39-34-17-11-10-16-31(34)24-37(39)50)22-29-18-20-33(21-19-29)53-27-38-45-46-47-48(38)26-30-14-8-5-9-15-30/h4-21,32,35-37,39,49-50H,22-27H2,1-3H3,(H,43,52)(H,44,51)/t32-,35+,36+,37-,39+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C2=CC3=C(N2CCCOC)N=C4C(=CC=CN4C3=O)C
InChI: InChI=1S/C23H30N4O3/c1-15-8-4-5-10-18(15)24-22(28)19-14-17-21(26(19)12-7-13-30-3)25-20-16(2)9-6-11-27(20)23(17)29/h6,9,11,14-15,18H,4-5,7-8,10,12-13H2,1-3H3,(H,24,28)/t15-,18-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C#N
InChI: InChI=1S/C25H19N3O3/c1-16-7-13-19(14-8-16)27-24(29)21-22(18-11-9-17(15-26)10-12-18)28(31-23(21)25(27)30)20-5-3-2-4-6-20/h2-14,21-23H,1H3/t21-,22+,23+/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@H]([C@H](C2=NO[C@H]([C@@H]2C3=CC=CC=C3)C4=CC=CC=C4)S(=O)C)O)C
InChI: InChI=1S/C23H27NO5S/c1-23(2)27-14-17(28-23)20(25)22(30(3)26)19-18(15-10-6-4-7-11-15)21(29-24-19)16-12-8-5-9-13-16/h4-13,17-18,20-22,25H,14H2,1-3H3/t17-,18-,20-,21+,22+,30?/m1/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)[N+](=O)[O-]
InChI: InChI=1S/C9H10FN3O7/c10-5-6(15)4(2-14)20-8(5)12-1-3(13(18)19)7(16)11-9(12)17/h1,4-6,8,14-15H,2H2,(H,11,16,17)/t4-,5+,6-,8-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)CC(C(=O)OC)NC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C25H29NO7/c1-25(2)32-21-20(30-15-16-10-6-4-7-11-16)19(31-24(21)33-25)14-18(23(28)29-3)26-22(27)17-12-8-5-9-13-17/h4-13,18-21,24H,14-15H2,1-3H3,(H,26,27)/t18?,19-,20-,21-,24-/m1/s1