EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)N(C2=O)C(=O)OC3=CC=CC=C3)F)CO)OCC4=CC=CC=C4
InChI: InChI=1S/C23H21FN2O7/c24-17-12-25(22(29)26(21(17)28)23(30)32-16-9-5-2-6-10-16)20-11-18(19(13-27)33-20)31-14-15-7-3-1-4-8-15/h1-10,12,18-20,27H,11,13-14H2/t18-,19+,20+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)OCC2=CC=CC=C2)O[C@@H]3[C@H]([C@H]([C@H](O[C@H]3OC)CO)O)OCC4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C36H44O12/c1-23(38)45-31-28(22-42-19-24-12-6-3-7-13-24)47-36(33(30(31)40)44-21-26-16-10-5-11-17-26)48-34-32(43-20-25-14-8-4-9-15-25)29(39)27(18-37)46-35(34)41-2/h3-17,27-37,39-40H,18-22H2,1-2H3/t27-,28-,29+,30+,31+,32+,33-,34-,35-,36-/m1/s1
SMILES: CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)OC4=C5[C@@H]([C@H](C(OC5=C(C=C34)O)(C)C)O)O)CC=C(C)C)O)C
InChI: InChI=1S/C30H32O9/c1-12(2)7-9-14-21(32)15(10-8-13(3)4)25-19(22(14)33)23(34)18-16-11-17(31)27-20(26(16)38-29(18)37-25)24(35)28(36)30(5,6)39-27/h7-8,11,24,28,31-33,35-36H,9-10H2,1-6H3/t24-,28+/m0/s1
SMILES: CCN1CC=C2[C@@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CSC=C3
InChI: InChI=1S/C18H17N5S/c1-2-23-5-3-13-14(7-19)17(22)18(10-20,11-21)16(15(13)8-23)12-4-6-24-9-12/h3-4,6,9,14-16,22H,2,5,8H2,1H3/t14?,15-,16+/m1/s1
SMILES: CC1([C@@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C
InChI: InChI=1S/C22H20ClF3O3/c1-21(2)17(12-18(23)22(24,25)26)19(21)20(27)28-13-14-7-6-10-16(11-14)29-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/b18-12-/t17-,19-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=C\C4=CC=CC=N4)/[C@@H]2O)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C25H32N2O2/c1-24-12-10-22(28)27(3)21(24)8-7-18-19(24)9-11-25(2)20(18)15-16(23(25)29)14-17-6-4-5-13-26-17/h4-6,10,12-14,18-21,23,29H,7-9,11,15H2,1-3H3/b16-14+/t18-,19+,20+,21-,23+,24-,25+/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)O
InChI: InChI=1S/C34H21Cl2F5N2O8/c1-51-19-8-5-12(10-18(19)44)21-15-6-7-16-20(29(46)42(28(16)45)14-4-2-3-13(9-14)30(47)48)17(15)11-33(35)31(49)43(32(50)34(21,33)36)27-25(40)23(38)22(37)24(39)26(27)41/h2-6,8-10,16-17,20-21,44H,7,11H2,1H3,(H,47,48)/t16-,17+,20-,21-,33+,34-/m0/s1
SMILES: C[C@@]1([C@H]2[C@@H]3CC[C@@H](C3)[C@H]2CC(=O)C14CC4)O
InChI: InChI=1S/C14H20O2/c1-13(16)12-9-3-2-8(6-9)10(12)7-11(15)14(13)4-5-14/h8-10,12,16H,2-7H2,1H3/t8-,9+,10+,12-,13-/m0/s1
SMILES: CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@@H](C)OC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H26N2O7/c1-10-16(21(28)29-4)11(2)22-17(10)18(25)12(3)30-15(24)9-23-19(26)13-7-5-6-8-14(13)20(23)27/h12-14,22H,5-9H2,1-4H3/t12-,13+,14+/m1/s1
SMILES: C[C@@H]1[C@H](C1=C(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H24/c1-19-24(22-15-9-4-10-16-22)25(19)23(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,24H,17-18H2,1H3/t19-,24+/m1/s1
SMILES: CC(C)([C@H]1OC[C@H]([C@H](O1)C2=CN=CC=C2)C/C=C\CCC(=O)O)OC3=CC=C(C=C3)C#N
InChI: InChI=1S/C25H28N2O5/c1-25(2,32-21-12-10-18(15-26)11-13-21)24-30-17-20(7-4-3-5-9-22(28)29)23(31-24)19-8-6-14-27-16-19/h3-4,6,8,10-14,16,20,23-24H,5,7,9,17H2,1-2H3,(H,28,29)/b4-3-/t20-,23-,24+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)/C=C/C2=CC(=C(C=C2OC)OC)OC
InChI: InChI=1S/C21H31N3O4S/c1-13-7-6-8-16(14(13)2)22-21(29)24-23-20(25)10-9-15-11-18(27-4)19(28-5)12-17(15)26-3/h9-14,16H,6-8H2,1-5H3,(H,23,25)(H2,22,24,29)/b10-9+/t13-,14+,16-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C[C@@H](O1)C3=CC=CC=C3)N(C2=O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C20H21NO3/c1-13-19-17(12-18(24-13)14-6-4-3-5-7-14)21(20(19)22)15-8-10-16(23-2)11-9-15/h3-11,13,17-19H,12H2,1-2H3/t13-,17+,18-,19-/m1/s1
SMILES: COCOC[C@H]1[C@@H](OC2=C1C=C(C=C2OC)C=O)C3=CC(=C(C=C3)OCOC)OC
InChI: InChI=1S/C22H26O8/c1-24-12-28-11-17-16-7-14(10-23)8-20(27-4)22(16)30-21(17)15-5-6-18(29-13-25-2)19(9-15)26-3/h5-10,17,21H,11-13H2,1-4H3/t17-,21+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=C(O5)CO)C(=O)N(C4=O)C6CCCCC6)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C32H32ClFN2O6/c1-32-22(29(39)36(31(32)41)17-7-11-24(34)23(33)13-17)14-21-19(27(32)25-12-8-18(15-37)42-25)9-10-20-26(21)30(40)35(28(20)38)16-5-3-2-4-6-16/h7-9,11-13,16,20-22,26-27,37H,2-6,10,14-15H2,1H3/t20-,21+,22-,26-,27+,32+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)N3CCN(CC3)CC(=O)NC4=CC(=CC=C4)F
InChI: InChI=1S/C21H28FN3O2/c22-18-2-1-3-19(13-18)23-20(26)14-24-6-8-25(9-7-24)21(27)12-17-11-15-4-5-16(17)10-15/h1-3,13,15-17H,4-12,14H2,(H,23,26)/t15-,16+,17+/m0/s1
SMILES: CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)N[C@@H]3CCCC[C@@H]3C
InChI: InChI=1S/C24H33N3O4/c1-3-4-15-27-21-12-8-7-11-19(21)25-20(24(27)30)13-14-23(29)31-16-22(28)26-18-10-6-5-9-17(18)2/h7-8,11-12,17-18H,3-6,9-10,13-16H2,1-2H3,(H,26,28)/t17-,18+/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)CN(CC(=O)NC2CCCCC2)C(=O)C3=CC=CC=C3)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
InChI: InChI=1S/C24H34N2O18S3/c1-39-24-22(44-47(36,37)38)21(43-46(33,34)35)20(42-45(30,31)32)17(41-24)14-40-19(28)13-26(23(29)15-8-4-2-5-9-15)12-18(27)25-16-10-6-3-7-11-16/h2,4-5,8-9,16-17,20-22,24H,3,6-7,10-14H2,1H3,(H,25,27)(H,30,31,32)(H,33,34,35)(H,36,37,38)/t17-,20-,21+,22+,24+/m1/s1
SMILES: COC(=O)[C@H]1[C@@H](N=C(O1)C2=CC=CC=C2)CC3=CC=CC=C3
InChI: InChI=1S/C18H17NO3/c1-21-18(20)16-15(12-13-8-4-2-5-9-13)19-17(22-16)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3/t15-,16+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)N(N=N3)CC(=O)NC4=CC(=CC=C4)F)C
InChI: InChI=1S/C20H18FN5O3/c1-11-6-7-15(8-12(11)2)26-19(28)17-18(20(26)29)25(24-23-17)10-16(27)22-14-5-3-4-13(21)9-14/h3-9,17-18H,10H2,1-2H3,(H,22,27)/t17-,18+/m0/s1
SMILES: C=CCO[C@@H]1[C@H]2CO[C@H](O2)[C@@H]([C@H]1O)SCC3=CC=CC=C3Cl
InChI: InChI=1S/C16H19ClO4S/c1-2-7-19-14-12-8-20-16(21-12)15(13(14)18)22-9-10-5-3-4-6-11(10)17/h2-6,12-16,18H,1,7-9H2/t12-,13+,14-,15-,16-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC4=CC=CC=C43)C[C@@H](CO)O)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(O6)C7=C(C=CC(=C7)C(F)(F)F)Cl)C
InChI: InChI=1S/C48H51ClF3NO6/c1-30-7-6-21-46(2)41(20-22-47(46,58)29-53(27-36(56)28-54)26-33-10-5-9-32-8-3-4-11-37(32)33)38-16-13-31(23-35(55)15-12-30)24-39(38)45(57)44-19-18-43(59-44)40-25-34(48(50,51)52)14-17-42(40)49/h3-5,7-11,13-14,16-19,24-25,35-36,41,54-56,58H,6,12,15,20-23,26-29H2,1-2H3/t35-,36-,41-,46-,47+/m0/s1
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC=C3C2=CC[C@@]45[C@]3(CC[C@@]4([C@](OC5=O)(C)CCCC(C)(C)O)O)C)(C)C)O
InChI: InChI=1S/C30H46O5/c1-24(2,33)13-8-14-28(7)30(34)18-17-27(6)20-9-10-21-25(3,4)22(31)12-15-26(21,5)19(20)11-16-29(27,30)23(32)35-28/h9,11,21-22,31,33-34H,8,10,12-18H2,1-7H3/t21-,22-,26+,27-,28-,29+,30-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N3C(=C(N=N3)C)C
InChI: InChI=1S/C14H22N5O13P3/c1-7-5-18(14(21)15-13(7)20)12-4-10(19-9(3)8(2)16-17-19)11(30-12)6-29-34(25,26)32-35(27,28)31-33(22,23)24/h5,10-12H,4,6H2,1-3H3,(H,25,26)(H,27,28)(H,15,20,21)(H2,22,23,24)/t10-,11+,12+/m0/s1
SMILES: CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@@]5(C4[C@H](C[C@@]3([C@@]2(O1)C(=O)COC(=O)CN6CCN(CC6)CCCO[N+](=O)[O-])C)O)C
InChI: InChI=1S/C34H49N3O10/c1-4-6-30-46-28-18-25-24-8-7-22-17-23(38)9-10-32(22,2)31(24)26(39)19-33(25,3)34(28,47-30)27(40)21-44-29(41)20-36-14-12-35(13-15-36)11-5-16-45-37(42)43/h9-10,17,24-26,28,30-31,39H,4-8,11-16,18-21H2,1-3H3/t24?,25?,26-,28+,30?,31?,32-,33-,34+/m0/s1
SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)OC=O)SC2)C(=O)O
InChI: InChI=1S/C19H18N6O6S2/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30)/t12-,14+,17+/m0/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@@H](CC(=C[C@@]1(C(C)(C)C)O)C2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI: InChI=1S/C28H36O3/c1-26(2,3)25(29)24-23(20-13-15-22(31-7)16-14-20)17-21(19-11-9-8-10-12-19)18-28(24,30)27(4,5)6/h8-16,18,23-24,30H,17H2,1-7H3/t23-,24+,28+/m0/s1
SMILES: C1CC[C@@H]([C@@H](C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)[NH+]3CCOCC3
InChI: InChI=1S/C16H23ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h5-8,15-16,18H,1-4,9-12H2/p+1/t15-,16+/m1/s1
SMILES: CC1=NC=C(C=C1)C2=NN=C(N2C)SCCCN3C[C@@H]4C[C@@]4(C3)C5=CC6=C(C=C5)SC(=N6)C
InChI: InChI=1S/C25H28N6S2/c1-16-5-6-18(13-26-16)23-28-29-24(30(23)3)32-10-4-9-31-14-20-12-25(20,15-31)19-7-8-22-21(11-19)27-17(2)33-22/h5-8,11,13,20H,4,9-10,12,14-15H2,1-3H3/t20-,25+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H]3CC=C[C@@H]3C4=CC=CC=C4N2)[N+](=O)[O-]
InChI: InChI=1S/C19H18N2O3/c1-24-18-10-9-12(11-17(18)21(22)23)19-15-7-4-6-13(15)14-5-2-3-8-16(14)20-19/h2-6,8-11,13,15,19-20H,7H2,1H3/t13-,15+,19-/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C
InChI: InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)N2C[C@@H]3[C@@H]4N([C@H](CO4)C5=CC=CC=C5)C(=O)[C@@]3(C2)Br
InChI: InChI=1S/C22H23BrN2O2/c1-15(16-8-4-2-5-9-16)24-12-18-20-25(21(26)22(18,23)14-24)19(13-27-20)17-10-6-3-7-11-17/h2-11,15,18-20H,12-14H2,1H3/t15-,18-,19-,20-,22+/m1/s1
SMILES: C[C@H]1[C@@H](CC[C@H](N1[C@@H](CO)C2=CC=CC=C2)CCCOCC3=CC=CC=C3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C40H51NO3Si/c1-32-39(44-45(40(2,3)4,36-23-13-7-14-24-36)37-25-15-8-16-26-37)28-27-35(22-17-29-43-31-33-18-9-5-10-19-33)41(32)38(30-42)34-20-11-6-12-21-34/h5-16,18-21,23-26,32,35,38-39,42H,17,22,27-31H2,1-4H3/t32-,35+,38-,39+/m0/s1
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI: InChI=1S/C31H47N5O6S/c1-19(2)16-24(27(38)33-22(26(32)37)13-15-43-6)36-18-21-12-14-35(25(21)29(36)40)28(39)23(17-20-10-8-7-9-11-20)34-30(41)42-31(3,4)5/h7-11,19,21-25H,12-18H2,1-6H3,(H2,32,37)(H,33,38)(H,34,41)/t21-,22-,23-,24-,25-/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC[C@H]([C@H]2CC(=O)N3CCCC3)O)(C)CO)OC(=O)NC4=CC(=CC=C4)SC
InChI: InChI=1S/C27H40N2O5S/c1-26-12-11-23(34-25(33)28-18-7-6-8-19(15-18)35-3)27(2,17-30)22(26)10-9-21(31)20(26)16-24(32)29-13-4-5-14-29/h6-8,15,20-23,30-31H,4-5,9-14,16-17H2,1-3H3,(H,28,33)/t20-,21-,22+,23-,26+,27+/m1/s1
SMILES: CC1=C(C(=CC=C1)OC2=CC=C(C=C2)N3C(=O)[C@@H]4[C@@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57)C
InChI: InChI=1S/C32H25NO3/c1-18-8-7-13-26(19(18)2)36-21-16-14-20(15-17-21)33-31(34)29-27-22-9-3-4-10-23(22)28(30(29)32(33)35)25-12-6-5-11-24(25)27/h3-17,27-30H,1-2H3/t27?,28?,29-,30-/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC(=C(C=C6)OC)OC
InChI: InChI=1S/C29H23NO7/c1-15-8-11-17(12-9-15)30-27(33)22-23(28(30)34)29(25(31)18-6-4-5-7-19(18)26(29)32)37-24(22)16-10-13-20(35-2)21(14-16)36-3/h4-14,22-24H,1-3H3/t22-,23+,24+/m1/s1
SMILES: C1CCN(CC1)C[C@@H]\2[C@@H]3C[C@H](/C2=N\OCC4=CC=CC=C4)[C@@H]5[C@H]3CCC5
InChI: InChI=1S/C23H32N2O/c1-3-8-17(9-4-1)16-26-24-23-21-14-20(18-10-7-11-19(18)21)22(23)15-25-12-5-2-6-13-25/h1,3-4,8-9,18-22H,2,5-7,10-16H2/b24-23+/t18-,19+,20-,21+,22-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@@H]3[C@@H](C3(C)C)CC(=O)[C@]2([C@@H](C4=C(C1=O)CCC4)OCC=C)C
InChI: InChI=1S/C22H30O3/c1-6-10-25-20-14-9-7-8-13(14)19(24)12(2)17-18-15(21(18,3)4)11-16(23)22(17,20)5/h6,12,15,17-18,20H,1,7-11H2,2-5H3/t12-,15-,17+,18-,20+,22+/m0/s1
SMILES: CC1=CC(=C(C=C1)C)NC(=O)OCCCNC(=O)[C@@H]2[C@@H](C2(C)C)C=C(Cl)Cl
InChI: InChI=1S/C20H26Cl2N2O3/c1-12-6-7-13(2)15(10-12)24-19(26)27-9-5-8-23-18(25)17-14(11-16(21)22)20(17,3)4/h6-7,10-11,14,17H,5,8-9H2,1-4H3,(H,23,25)(H,24,26)/t14-,17-/m0/s1
SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@@H]6[C@H]([C@H]5C7=CC=C(C=C7)OCCO)C(=O)N(C6=O)C8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C42H44N4O8/c47-19-24-54-31-11-1-26(2-12-31)36-32-13-14-33-37(41(50)45(39(33)48)29-7-3-27(4-8-29)43-15-20-52-21-16-43)34(32)25-35-38(36)42(51)46(40(35)49)30-9-5-28(6-10-30)44-17-22-53-23-18-44/h1-13,33-38,47H,14-25H2/t33-,34+,35+,36-,37-,38+/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C=CC6=CC=CC=C65)O)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C29H24BrNO5/c1-2-11-31-28(35)17-9-8-16-18(23(17)29(31)36)12-19-25(22(33)13-20(30)27(19)34)26(16)24-15-6-4-3-5-14(15)7-10-21(24)32/h3-8,10,13,17-18,23,26,32H,2,9,11-12H2,1H3/t17-,18+,23-,26+/m0/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)C4=C5CCCC5
InChI: InChI=1S/C21H21NO2/c1-12-6-2-5-9-16(12)22-20(23)18-14-10-11-15(19(18)21(22)24)17(14)13-7-3-4-8-13/h2,5-6,9-11,14-15,18-19H,3-4,7-8H2,1H3/t14-,15+,18-,19+
SMILES: C1CCC(CC1)N2[C@@H]([C@@H](CCC2=O)C(=O)O)C3=CC=CC=C3Cl
InChI: InChI=1S/C18H22ClNO3/c19-15-9-5-4-8-13(15)17-14(18(22)23)10-11-16(21)20(17)12-6-2-1-3-7-12/h4-5,8-9,12,14,17H,1-3,6-7,10-11H2,(H,22,23)/t14-,17-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1C[C@@](O[C@@H]([C@H]1C)C(C)C)([C@@H](C)[C@@H]([C@H](C)C=O)O[Si](CC)(CC)CC)OC
InChI: InChI=1S/C28H58O5Si2/c1-13-34(14-2,15-3)32-25-19-28(30-12,31-26(21(7)8)23(25)10)24(11)27(22(9)20-29)33-35(16-4,17-5)18-6/h20-27H,13-19H2,1-12H3/t22-,23+,24+,25-,26-,27-,28-/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)OC)OC
InChI: InChI=1S/C26H24N2O5/c1-16-9-12-18(13-10-16)27-25(29)22-23(17-11-14-20(31-2)21(15-17)32-3)28(33-24(22)26(27)30)19-7-5-4-6-8-19/h4-15,22-24H,1-3H3/t22-,23-,24-/m0/s1
SMILES: CC(C)C[C@@H](C(=O)OC)NC[C@@H]1[C@H](CC[C@H](O1)CNC(=O)[C@H](CSSC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OCC5=CC=CC=C5
InChI: InChI=1S/C43H57N3O7S2/c1-28(2)22-36(41(48)50-6)44-24-39-38(51-25-29-14-8-7-9-15-29)21-20-30(53-39)23-45-40(47)37(27-54-55-43(3,4)5)46-42(49)52-26-35-33-18-12-10-16-31(33)32-17-11-13-19-34(32)35/h7-19,28,30,35-39,44H,20-27H2,1-6H3,(H,45,47)(H,46,49)/t30-,36-,37-,38-,39+/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=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=CC(=C(C(=C7Br)Br)O)OC)Cl)C8=CC=C(C=C8)F)Cl
InChI: InChI=1S/C41H32Br2Cl2FN5O6/c1-49(2)23-12-6-21(7-13-23)47-48-22-8-14-24(15-9-22)50-36(53)27-17-16-26-29(31(27)37(50)54)19-40(44)38(55)51(25-10-4-20(46)5-11-25)39(56)41(40,45)32(26)28-18-30(57-3)35(52)34(43)33(28)42/h4-16,18,27,29,31-32,52H,17,19H2,1-3H3/t27-,29+,31-,32+,40+,41-/m0/s1
SMILES: CC1(O[C@@H]([C@]2(O1)CC(=O)C(=C2)Br)CCCCC3=CC=CC=C3)C
InChI: InChI=1S/C19H23BrO3/c1-18(2)22-17(19(23-18)12-15(20)16(21)13-19)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,12,17H,6-7,10-11,13H2,1-2H3/t17-,19-/m1/s1
SMILES: C[NH+](CC1=CC=CC=C1)CC2=CN(N=N2)C[C@H]3C[C@H]4CC[NH+]3C[C@@H]4C(=O)N5CCCC5
InChI: InChI=1S/C24H34N6O/c1-27(14-19-7-3-2-4-8-19)15-21-16-30(26-25-21)17-22-13-20-9-12-29(22)18-23(20)24(31)28-10-5-6-11-28/h2-4,7-8,16,20,22-23H,5-6,9-15,17-18H2,1H3/p+2/t20-,22-,23+/m1/s1
SMILES: C1[C@H]([C@@H](O[C@@H](O1)C2=CC=CC=C2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI: InChI=1S/C30H28O4/c31-27-21-32-29(23-13-5-1-6-14-23)34-28(27)22-33-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-29,31H,21-22H2/t27-,28+,29-/m1/s1
SMILES: C[C@@H]1C[C@H]1C(=O)OCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2
InChI: InChI=1S/C15H16N2O3S/c1-7-5-9(7)15(19)20-6-11-16-13(18)12-8-3-2-4-10(8)21-14(12)17-11/h7,9H,2-6H2,1H3,(H,16,17,18)/t7-,9-/m1/s1
SMILES: CCOC1([C@@]2([C@@H]([C@@]2(C(=[NH+]1)N)C#N)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C#N)OCC
InChI: InChI=1S/C17H16ClN5O4/c1-3-26-17(27-4-2)16(9-20)13(15(16,8-19)14(21)22-17)11-6-5-10(23(24)25)7-12(11)18/h5-7,13H,3-4H2,1-2H3,(H2,21,22)/p+1/t13-,15-,16-/m1/s1
SMILES: C[C@@H]([C@@H]1[C@H]2COC(=O)[C@@H]2N(O1)CC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C21H23NO4/c1-15(24-13-17-10-6-3-7-11-17)20-18-14-25-21(23)19(18)22(26-20)12-16-8-4-2-5-9-16/h2-11,15,18-20H,12-14H2,1H3/t15-,18-,19+,20+/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[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)O)O)O)COC(=O)C3=CC=CC=C3C(=O)O[C@@H]4[C@H]([C@H]5[C@@H](COC(O5)(C)C)OC4F)OC(=O)C
InChI: InChI=1S/C38H49FO22/c1-15(40)53-27-22(59-37(32(56-18(4)43)29(27)54-16(2)41)51-12-21-24(44)25(45)26(46)36(49-7)58-21)13-50-34(47)19-10-8-9-11-20(19)35(48)60-31-30(55-17(3)42)28-23(57-33(31)39)14-52-38(5,6)61-28/h8-11,21-33,36-37,44-46H,12-14H2,1-7H3/t21-,22-,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33?,36+,37-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)[C@H](C)OC(=O)C)CSCCO
InChI: InChI=1S/C33H39NO7S/c1-21-30(20-42-15-14-35)40-33(41-31(21)26-12-10-24(19-36)11-13-26)29-9-5-8-28(17-29)27-7-4-6-25(16-27)18-34-32(38)22(2)39-23(3)37/h4-13,16-17,21-22,30-31,33,35-36H,14-15,18-20H2,1-3H3,(H,34,38)/t21-,22-,30+,31+,33+/m0/s1
SMILES: COC1=CC(=CC(=C1[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)CC6=CC=CS6)OC)O
InChI: InChI=1S/C28H25BrCl2N2O7S/c1-39-18-8-13(34)9-19(40-2)21(18)22-15-5-6-16-20(24(36)32(23(16)35)11-14-4-3-7-41-14)17(15)10-27(30)25(37)33(12-29)26(38)28(22,27)31/h3-5,7-9,16-17,20,22,34H,6,10-12H2,1-2H3/t16-,17+,20-,22+,27+,28-/m0/s1
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C23H26N2O6/c1-14-10-19(15(2)24(14)11-16-6-5-9-30-16)20(26)13-31-21(27)12-25-22(28)17-7-3-4-8-18(17)23(25)29/h5-6,9-10,17-18H,3-4,7-8,11-13H2,1-2H3/t17-,18-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC)O)OC(=O)C
InChI: InChI=1S/C21H31NO14/c1-9(23)22-15-17(16(34-12(4)26)14(33-11(3)25)8-32-10(2)24)36-21(31-7,20(29)30-6)19(28)18(15)35-13(5)27/h14-19,28H,8H2,1-7H3,(H,22,23)/t14-,15+,16-,17-,18-,19+,21+/m1/s1
SMILES: CCOC(=O)C(C)(C)[C@@H]([C@]1([C@@H](OC(=N1)C2=CC=CC=C2)C(C)C)C(=O)OC)O
InChI: InChI=1S/C21H29NO6/c1-7-27-18(24)20(4,5)17(23)21(19(25)26-6)15(13(2)3)28-16(22-21)14-11-9-8-10-12-14/h8-13,15,17,23H,7H2,1-6H3/t15-,17-,21+/m0/s1
SMILES: CC1=C[N+](=C(C=C1)C)C2=C(N3[C@H](CC2)[C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)O
InChI: InChI=1S/C21H22N6O5S/c1-10-4-5-11(2)26(8-10)14-7-6-13-16(19(29)27(13)17(14)20(30)31)24-18(28)15(25-32-3)12-9-33-21(22)23-12/h4-5,8-9,13,16H,6-7H2,1-3H3,(H3-,22,23,24,28,30,31)/p+1/b25-15-/t13-,16+/m1/s1
SMILES: CCC(=O)C(=O)N(CCC1=CC(=CC=C1)OC)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C30H36N2O9/c1-4-23(35)30(38)32(10-8-17-6-5-7-19(12-17)39-2)22-15-21(29(37)31-9-11-33)25-20-13-18(16-34)14-24(40-3)27(20)41-28(25)26(22)36/h5-7,12-15,22,25-26,28,33-34,36H,4,8-11,16H2,1-3H3,(H,31,37)/t22-,25+,26+,28+/m1/s1
SMILES: CC(=CC[C@]12C(=O)[C@@H]3C[C@H]([C@]14C(=C3)C(=O)C5=C(C=C(C=C5O4)O)O)C(O2)(C)C)C
InChI: InChI=1S/C23H24O6/c1-11(2)5-6-22-20(27)12-7-14-19(26)18-15(25)9-13(24)10-16(18)28-23(14,22)17(8-12)21(3,4)29-22/h5,7,9-10,12,17,24-25H,6,8H2,1-4H3/t12-,17-,22-,23+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1N[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3
InChI: InChI=1S/C17H22N2O2/c1-12-7-5-6-10-14(12)18-15-11-16(20)19(17(15)21)13-8-3-2-4-9-13/h2-4,8-9,12,14-15,18H,5-7,10-11H2,1H3/t12-,14-,15-/m1/s1
SMILES: C=C1[C@@H]([C@@H](NC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H22N2O3/c1-17-22(24(28)20-10-6-3-7-11-20)23(27-25(29)26-17)19-12-14-21(15-13-19)30-16-18-8-4-2-5-9-18/h2-15,22-23H,1,16H2,(H2,26,27,29)/t22-,23-/m0/s1
SMILES: C[C@H](CC(=O)CC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C
InChI: InChI=1S/C27H42O4/c1-17(13-22(29)16-26(3,4)31)23-10-11-24-19(7-6-12-27(23,24)5)8-9-20-14-21(28)15-25(30)18(20)2/h8-9,17,21,23-25,28,30-31H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21+,23-,24+,25-,27-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C[C@@H]([C@H](O3)C4=COC=C4)I
InChI: InChI=1S/C25H29IO3Si/c1-25(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)28-18-20-16-23(26)24(29-20)19-14-15-27-17-19/h4-15,17,20,23-24H,16,18H2,1-3H3/t20-,23+,24-/m1/s1
SMILES: C[C@H](CCC(C(C)(C)O)O)[C@H]1CCC2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4(C)C)OC(=O)CC(C)(CC(=O)OC)O)C)C
InChI: InChI=1S/C36H58O8/c1-21(10-15-28(37)33(4,5)41)23-12-13-24-22-11-14-27-32(2,3)31(40)26(18-36(27,8)25(22)16-17-35(23,24)7)44-30(39)20-34(6,42)19-29(38)43-9/h21,23-24,26-28,37,41-42H,10-20H2,1-9H3/t21-,23-,24?,26-,27+,28?,34?,35-,36-/m1/s1
SMILES: C1=[N+](NC(=N1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChI: InChI=1S/C8H15N4O14P3/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(24-8)1-23-28(19,20)26-29(21,22)25-27(16,17)18/h2-5,8,13-14H,1H2,(H6,9,15,16,17,18,19,20,21,22)/p+1/t3-,4-,5-,8-/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl
InChI: InChI=1S/C20H27ClN2O4S/c21-19-6-5-17(28(25,26)23-9-11-27-12-10-23)13-18(19)20(24)22-8-7-15-3-1-2-4-16(15)14-22/h5-6,13,15-16H,1-4,7-12,14H2/t15-,16+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O
InChI: InChI=1S/C18H24N2O7/c1-25-13-8-10(9-14(26-2)15(13)27-3)16(21)19-20-17(22)11-6-4-5-7-12(11)18(23)24/h8-9,11-12H,4-7H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)/t11-,12+/m1/s1
SMILES: C[C@@]1([C@@H](C2=CC3=NC(=CC4=C(C(=C(N4)C=C5[C@@]([C@@H](C(=N5)C=C1N2)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O)C(C3CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O
InChI: InChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,19,21,23-24,44-45H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/t19?,21?,23-,24-,41+,42+/m1/s1
SMILES: CCCN1CC=C2[C@@H](C1)[C@]3(C4=CC=CC=C4NC3=O)C(C(=C2C#N)N)(C#N)C#N
InChI: InChI=1S/C22H20N6O/c1-2-8-28-9-7-14-15(10-23)19(26)21(12-24,13-25)22(17(14)11-28)16-5-3-4-6-18(16)27-20(22)29/h3-7,17H,2,8-9,11,26H2,1H3,(H,27,29)/t17-,22+/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)N[C@@H]2CCN(C[C@@H]2C3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C26H30N2/c1-21(23-13-7-3-8-14-23)27-26-17-18-28(19-22-11-5-2-6-12-22)20-25(26)24-15-9-4-10-16-24/h2-16,21,25-27H,17-20H2,1H3/t21-,25+,26+/m0/s1
SMILES: CCOC1C[C@H]([C@@H](O1)C2=CC=CC=C2)[CH2-].[C-]#N.[Cu+].[Zn+]Br
InChI: InChI=1S/C13H17O2.CN.BrH.Cu.Zn/c1-3-14-12-9-10(2)13(15-12)11-7-5-4-6-8-11;1-2;;;/h4-8,10,12-13H,2-3,9H2,1H3;;1H;;/q2*-1;;+1;+2/p-1/t10-,12?,13-;;;;/m1..../s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC(=O)NC5=C(C=C(C=C5)OC)OC)CCCCO)CCCCO)OCC=C)N(CC6=CC7=C(C=C6)OCO7)C(=O)CCC8CCCC8
InChI: InChI=1S/C54H69N3O12/c1-5-27-66-54-49(57(50(60)24-18-35-13-7-8-14-35)33-36-17-22-46-48(28-36)65-34-64-46)32-44(56-67-6-2)41-29-37(15-9-11-25-58)40(16-10-12-26-59)51(52(41)54)42-30-39(20-23-45(42)69-54)68-53(61)55-43-21-19-38(62-3)31-47(43)63-4/h5,17,19-23,28-31,35,37,40,49,51-52,58-59H,1,6-16,18,24-27,32-34H2,2-4H3,(H,55,61)/t37-,40+,49-,51+,52+,54+/m0/s1
SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=CN=C(S3)C4=CC=CC=C4
InChI: InChI=1S/C16H17N3OS/c20-15(19-13-8-11-6-7-12(13)18-11)14-9-17-16(21-14)10-4-2-1-3-5-10/h1-5,9,11-13,18H,6-8H2,(H,19,20)/t11-,12+,13-/m1/s1
SMILES: C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4=COC=C4)C)C=C(C=C3)OC(=O)NC=C
InChI: InChI=1S/C22H26N2O3/c1-4-23-21(25)27-18-6-5-17-11-20-15(2)22(3,19(17)12-18)8-9-24(20)13-16-7-10-26-14-16/h4-7,10,12,14-15,20H,1,8-9,11,13H2,2-3H3,(H,23,25)/t15-,20+,22+/m0/s1
SMILES: CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N
InChI: InChI=1S/C39H69N11O10S/c1-22(2)17-24(18-30(52)50-60)36(56)46-26(12-7-9-15-40)37(57)48-33(23(3)4)38(58)44-19-31(53)43-20-32(54)45-25(35(41)55)11-8-10-16-42-29(51)14-6-5-13-28-34-27(21-61-28)47-39(59)49-34/h22-28,33-34,60H,5-21,40H2,1-4H3,(H2,41,55)(H,42,51)(H,43,53)(H,44,58)(H,45,54)(H,46,56)(H,48,57)(H,50,52)(H2,47,49,59)/t24?,25-,26-,27-,28-,33-,34-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8CCCCC8
InChI: InChI=1S/C40H39ClN2O7/c1-49-31-18-22(19-32(50-2)35(31)44)34-27-16-17-28-33(38(47)42(36(28)45)25-13-7-4-8-14-25)29(27)21-30-37(46)43(26-15-9-12-24(41)20-26)39(48)40(30,34)23-10-5-3-6-11-23/h3,5-6,9-12,15-16,18-20,25,28-30,33-34,44H,4,7-8,13-14,17,21H2,1-2H3/t28-,29+,30-,33-,34-,40+/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C19H16ClN3O5/c20-12-5-3-4-11(8-12)17-21-15(28-22-17)10-27-16(24)9-23-18(25)13-6-1-2-7-14(13)19(23)26/h1-5,8,13-14H,6-7,9-10H2/t13-,14+
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CCN3CCOCC3)C(=O)C4CCCC4)C(=O)NCCO
InChI: InChI=1S/C29H40IN3O8/c1-39-25-15-19(18-35)14-22(30)27(25)41-24-17-21(28(37)31-6-11-34)16-23(26(24)36)33(29(38)20-4-2-3-5-20)8-7-32-9-12-40-13-10-32/h14-15,17-18,20,23-24,26,34,36H,2-13,16H2,1H3,(H,31,37)/t23-,24+,26+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O.N
InChI: InChI=1S/C19H26N5O12P.H3N/c1-8-5-24(19(31)21-16(8)29)13-4-9(10(6-25)35-13)22-37(32,33)34-7-11-14(27)15(28)17(36-11)23-3-2-12(26)20-18(23)30;/h2-3,5,9-11,13-15,17,25,27-28H,4,6-7H2,1H3,(H,20,26,30)(H,21,29,31)(H2,22,32,33);1H3/t9-,10+,11+,13+,14+,15+,17+;/m0./s1