EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CCC[C@@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)[O-]
InChI: InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/p-1/t14-,16-,17-/m1/s1
SMILES: CC[C@]1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)C
InChI: InChI=1S/C17H27N3O5/c1-4-17(3)15(23)20(16(24)19-17)9-14(22)25-10-13(21)18-12-8-6-5-7-11(12)2/h11-12H,4-10H2,1-3H3,(H,18,21)(H,19,24)/t11-,12-,17-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=CO7)C
InChI: InChI=1S/C44H51ClN2O4/c1-31-8-6-21-43(2)39(37-19-13-32(28-36(48)18-12-31)29-38(37)42(49)40-11-7-27-51-40)20-22-44(43,50)30-46-23-25-47(26-24-46)41(33-9-4-3-5-10-33)34-14-16-35(45)17-15-34/h3-5,7-11,13-17,19,27,29,36,39,41,48,50H,6,12,18,20-26,28,30H2,1-2H3/t36-,39-,41?,43-,44+/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=C(C=C(C=C4)Cl)Cl)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C23H15Cl3N2O3/c24-14-8-6-13(7-9-14)20-19-21(31-28(20)16-4-2-1-3-5-16)23(30)27(22(19)29)18-11-10-15(25)12-17(18)26/h1-12,19-21H/t19-,20+,21+/m0/s1
SMILES: CC[C@H]1CC(=O)[C@@H](C(=O)[C@@H]([C@H]([C@@](C[C@H](/C(=N\OCC(C)C)/[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC/C=C/C2=CC3=CC=CC=C3N=C2)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C
InChI: InChI=1S/C46H71N3O9/c1-13-35-23-38(50)30(6)40(51)32(8)43(58-44-41(52)37(49(11)12)21-29(5)57-44)45(9,55-20-16-17-33-22-34-18-14-15-19-36(34)47-25-33)24-28(4)39(48-56-26-27(2)3)31(7)42(53)46(35,10)54/h14-19,22,25,27-32,35,37,41-44,52-54H,13,20-21,23-24,26H2,1-12H3/b17-16+,48-39+/t28-,29-,30+,31+,32+,35+,37+,41-,42-,43-,44+,45+,46-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C(=CC5=O)C)C(=O)N(C4=O)C6=CC=CC=C6
InChI: InChI=1S/C31H27NO6/c1-3-38-24-11-7-10-19(29(24)35)25-18-12-13-20-26(31(37)32(30(20)36)17-8-5-4-6-9-17)21(18)15-22-23(33)14-16(2)28(34)27(22)25/h4-12,14,20-21,25-26,35H,3,13,15H2,1-2H3/t20-,21+,25+,26-/m0/s1
SMILES: CCCC[C@H](/C=C/[C@@H]1[C@H](OC(N1C(=O)OC(C)(C)C)(C)C)C)C(=O)OC
InChI: InChI=1S/C20H35NO5/c1-9-10-11-15(17(22)24-8)12-13-16-14(2)25-20(6,7)21(16)18(23)26-19(3,4)5/h12-16H,9-11H2,1-8H3/b13-12+/t14-,15-,16-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC(=C(C=C2)OC(C)C)OC
InChI: InChI=1S/C23H33NO5/c1-15(2)28-20-12-10-18(14-21(20)27-5)11-13-22(25)29-17(4)23(26)24-19-9-7-6-8-16(19)3/h10-17,19H,6-9H2,1-5H3,(H,24,26)/b13-11+/t16-,17-,19-/m1/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CCC4(N=N4)CCCO)C
InChI: InChI=1S/C17H28N2O6/c1-15(2)22-11-10(6-8-17(18-19-17)7-5-9-20)21-14-13(12(11)23-15)24-16(3,4)25-14/h10-14,20H,5-9H2,1-4H3/t10-,11+,12+,13-,14-/m1/s1
SMILES: C1C=C2[C@@H](C[C@@H](N([C@H]2[C@@H]3[C@H]1S(=O)(=O)C4=CC=CC=C4S3(=O)=O)C(=O)OC5=CC=CC=C5)CCCOCC6=CC=CC=C6)O
InChI: InChI=1S/C32H33NO8S2/c34-26-20-23(12-9-19-40-21-22-10-3-1-4-11-22)33(32(35)41-24-13-5-2-6-14-24)30-25(26)17-18-29-31(30)43(38,39)28-16-8-7-15-27(28)42(29,36)37/h1-8,10-11,13-17,23,26,29-31,34H,9,12,18-21H2/t23-,26+,29-,30+,31-/m0/s1
SMILES: CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)N3CC[C@@H]4CCCC[C@H]4C3
InChI: InChI=1S/C24H33N3O2/c1-17-23(18(2)27(25-17)21-9-6-10-22(15-21)29-3)11-12-24(28)26-14-13-19-7-4-5-8-20(19)16-26/h6,9-10,15,19-20H,4-5,7-8,11-14,16H2,1-3H3/t19-,20-/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C(=C5Br)Br)O)OC)C(=O)N(C4=O)CCCC(=O)O)Cl
InChI: InChI=1S/C26H24Br2Cl2N2O8/c1-31-23(38)25(29)9-13-10(5-6-11-16(13)22(37)32(21(11)36)7-3-4-15(33)34)17(26(25,30)24(31)39)12-8-14(40-2)20(35)19(28)18(12)27/h5,8,11,13,16-17,35H,3-4,6-7,9H2,1-2H3,(H,33,34)/t11-,13+,16-,17+,25+,26-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](C2C(=C(C1P2C3=CC=CC=C3)C)C)P(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H30O2P2/c1-4-31-29(30)25-26-20(2)21(3)27(33(26)24-18-12-7-13-19-24)28(25)32(22-14-8-5-9-15-22)23-16-10-6-11-17-23/h5-19,25-28H,4H2,1-3H3/t25-,26?,27?,28-,33?/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC6=CC=CC(=N6)C)OCC=C)CCCCO)CCCCO)C(=O)OC
InChI: InChI=1S/C46H59N3O8/c1-5-23-49(45(52)53-4)42-29-40(48-56-30-33-16-8-7-9-17-33)38-27-34(18-10-12-24-50)37(20-11-13-25-51)43-39-28-36(54-31-35-19-14-15-32(3)47-35)21-22-41(39)57-46(42,44(38)43)55-26-6-2/h6-9,14-17,19,21-22,27-28,34,37,42-44,50-51H,2,5,10-13,18,20,23-26,29-31H2,1,3-4H3/t34-,37+,42-,43+,44+,46+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=C(C=C3)OC(F)(F)F)S(=O)(=O)C)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC=CC=C5C6=CC=CC=C6)C
InChI: InChI=1S/C44H48F3NO6S/c1-30-10-9-24-42(2)40(23-25-43(42,51)29-48(55(3,52)53)28-31-16-20-35(21-17-31)54-44(45,46)47)37-22-18-32(26-34(49)19-15-30)27-39(37)41(50)38-14-8-7-13-36(38)33-11-5-4-6-12-33/h4-8,10-14,16-18,20-22,27,34,40,49,51H,9,15,19,23-26,28-29H2,1-3H3/t34-,40-,42-,43+/m0/s1
SMILES: CCOC1=C(C=C(C=C1)C(=O)C)N2C(=O)[C@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C(=O)C
InChI: InChI=1S/C30H25NO5/c1-4-36-24-14-13-18(16(2)32)15-23(24)31-28(34)26-25-19-9-5-7-11-21(19)30(17(3)33,27(26)29(31)35)22-12-8-6-10-20(22)25/h5-15,25-27H,4H2,1-3H3/t25?,26-,27-,30?/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4=CSC(=N4)NC)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C23H33N3OS/c1-22-11-9-16-14(5-8-19-23(16,2)12-10-20(27)26(19)4)15(22)6-7-17(22)18-13-28-21(24-3)25-18/h10,12-17,19H,5-9,11H2,1-4H3,(H,24,25)/t14-,15-,16-,17+,19+,22-,23+/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2[C@@H](C3CCC2CC3)C(=O)[O-])C
InChI: InChI=1S/C18H23NO3/c1-10-3-8-14(9-11(10)2)19-17(20)15-12-4-6-13(7-5-12)16(15)18(21)22/h3,8-9,12-13,15-16H,4-7H2,1-2H3,(H,19,20)(H,21,22)/p-1/t12?,13?,15-,16+/m0/s1
SMILES: C=C([C@H]1COC2(O1)CCCCC2)O[C@@H]3CCCO[C@H]3CCOCC4=CC=CC=C4
InChI: InChI=1S/C24H34O5/c1-19(23-18-27-24(29-23)13-6-3-7-14-24)28-22-11-8-15-26-21(22)12-16-25-17-20-9-4-2-5-10-20/h2,4-5,9-10,21-23H,1,3,6-8,11-18H2/t21-,22+,23+/m0/s1
SMILES: CC1=CC2=C(C=C1)N3[C@H](C=C2)[C@@]4([C@H]([C@H]3C(=O)C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)Br)C7=CC=CC=C7NC4=O
InChI: InChI=1S/C34H25BrN2O3/c1-20-11-17-27-23(19-20)14-18-28-34(25-9-5-6-10-26(25)36-33(34)40)29(31(38)22-12-15-24(35)16-13-22)30(37(27)28)32(39)21-7-3-2-4-8-21/h2-19,28-30H,1H3,(H,36,40)/t28-,29-,30+,34-/m1/s1
SMILES: CC(C)CCCCCCCCCCC[C@H](CC(=O)N[C@H]1C[S@@](=O)O[C@@H]1/C=C/CCCCCCCCCC(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C40H79NO4SSi/c1-34(2)28-24-20-16-12-10-14-18-22-26-30-36(45-47(8,9)40(5,6)7)32-39(42)41-37-33-46(43)44-38(37)31-27-23-19-15-11-13-17-21-25-29-35(3)4/h27,31,34-38H,10-26,28-30,32-33H2,1-9H3,(H,41,42)/b31-27+/t36-,37+,38-,46+/m1/s1
SMILES: CCCCC(C1=C(C(=C2C(=C1O)C[C@@H]([C@H](O2)C3=CC(=C(C=C3)O)O)O)C(CCCC)SC)O)SC
InChI: InChI=1S/C27H38O6S2/c1-5-7-9-20(34-3)22-24(31)16-14-19(30)26(15-11-12-17(28)18(29)13-15)33-27(16)23(25(22)32)21(35-4)10-8-6-2/h11-13,19-21,26,28-32H,5-10,14H2,1-4H3/t19-,20?,21?,26+/m0/s1
SMILES: CN(CC1=C(C=CC(=C1)Cl)OC)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H21ClN2O3/c1-20(10-12-9-13(19)7-8-16(12)24-2)11-21-17(22)14-5-3-4-6-15(14)18(21)23/h3-4,7-9,14-15H,5-6,10-11H2,1-2H3/t14-,15-/m0/s1
SMILES: CC1=COC2=C(C=C3[C@H]4CCCNC(=O)[C@@]4(OC3=C12)N5CCCCC5)O
InChI: InChI=1S/C20H24N2O4/c1-12-11-25-18-15(23)10-13-14-6-5-7-21-19(24)20(14,26-17(13)16(12)18)22-8-3-2-4-9-22/h10-11,14,23H,2-9H2,1H3,(H,21,24)/t14-,20-/m1/s1
SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3C(=N2)OC4C[C@H]([C@H](C4)O)O.Cl
InChI: InChI=1S/C17H22N4O3.ClH/c22-14-9-11(10-15(14)23)24-16-12-3-1-2-4-13(12)19-17(20-16)21-7-5-18-6-8-21;/h1-4,11,14-15,18,22-23H,5-10H2;1H/t11?,14-,15+;
SMILES: [2H]C([2H])([2H])[N@+]1(CCC2=CC=CC=C2[C@@H]1C3=CC=CC=C3)C[Si](C)(C)C.[I-]
InChI: InChI=1S/C20H28NSi.HI/c1-21(16-22(2,3)4)15-14-17-10-8-9-13-19(17)20(21)18-11-6-5-7-12-18;/h5-13,20H,14-16H2,1-4H3;1H/q+1;/p-1/t20-,21-;/m0./s1/i1D3;
SMILES: COC1=CC(=C(C=C1)OC)[C@@H]2[C@H](C(=C)NC3=NC=NN23)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C22H22N4O4/c1-14-19(21(27)30-12-15-7-5-4-6-8-15)20(26-22(25-14)23-13-24-26)17-11-16(28-2)9-10-18(17)29-3/h4-11,13,19-20H,1,12H2,2-3H3,(H,23,24,25)/t19-,20+/m0/s1
SMILES: CC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)N[C@H]2[C@@H](CCN(C2=O)[C@@H](CCCCNC(=O)OCC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)OC(C)(C)C)C=C
InChI: InChI=1S/C42H57N5O9/c1-6-32-22-25-47(39(51)36(32)45-37(49)33(44-29(2)48)28-54-26-30-16-9-7-10-17-30)34(38(50)46-24-15-21-35(46)40(52)56-42(3,4)5)20-13-14-23-43-41(53)55-27-31-18-11-8-12-19-31/h6-12,16-19,32-36H,1,13-15,20-28H2,2-5H3,(H,43,53)(H,44,48)(H,45,49)/t32-,33+,34+,35+,36+/m1/s1
SMILES: CC1=C(C=C(C=C1)NCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)Cl
InChI: InChI=1S/C16H17ClN2O2/c1-10-6-7-11(8-14(10)17)18-9-19-15(20)12-4-2-3-5-13(12)16(19)21/h2-3,6-8,12-13,18H,4-5,9H2,1H3/t12-,13+
SMILES: C1CN2[C@H]([C@@H]3[C@H](N2C1)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C20H18ClN3O2/c21-14-9-7-13(8-10-14)17-16-18(23-12-4-11-22(17)23)20(26)24(19(16)25)15-5-2-1-3-6-15/h1-3,5-10,16-18H,4,11-12H2/t16-,17+,18+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[13CH2]O)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1/i1+1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[C@@H]1CO)N2C(C(=O)NC2=O)O
InChI: InChI=1S/C14H26N2O6Si/c1-14(2,3)23(4,5)22-8-6-10(21-9(8)7-17)16-12(19)11(18)15-13(16)20/h8-10,12,17,19H,6-7H2,1-5H3,(H,15,18,20)/t8-,9+,10+,12?/m0/s1
SMILES: C1=C(C=C(C=C1F)F)CO[N+]2=C(C3=C(N=C2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI: InChI=1S/C17H17F2N5O5/c18-9-1-8(2-10(19)3-9)5-28-24-7-22-16-12(15(24)20)21-6-23(16)17-14(27)13(26)11(4-25)29-17/h1-3,6-7,11,13-14,17,20,25-27H,4-5H2/p+1/t11-,13-,14-,17-/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4)CN5CC[C@H](C5)O
InChI: InChI=1S/C30H36N2O6S/c1-21-28(19-32-16-15-26(34)18-32)37-30(38-29(21)24-11-9-23(20-33)10-12-24)25-13-7-22(8-14-25)17-31-39(35,36)27-5-3-2-4-6-27/h2-14,21,26,28-31,33-34H,15-20H2,1H3/t21-,26+,28+,29+,30?/m0/s1
SMILES: CC[C@@H]1[C@H]([C@@H](C(O1)(C)C)C(=O)OC)[Se]C2=CC=CC=C2
InChI: InChI=1S/C16H22O3Se/c1-5-12-14(20-11-9-7-6-8-10-11)13(15(17)18-4)16(2,3)19-12/h6-10,12-14H,5H2,1-4H3/t12-,13-,14-/m1/s1
SMILES: CC(=CCCC([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O)C
InChI: InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20?,21-,24+,25+,28-,29-,30+/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@](C4)(C#CC5=CC=C(C=C5)N)O)C)C
InChI: InChI=1S/C29H39NO2/c1-19(31)24-10-11-25-23-9-6-21-18-29(32,15-12-20-4-7-22(30)8-5-20)17-16-27(21,2)26(23)13-14-28(24,25)3/h4-5,7-8,21,23-26,32H,6,9-11,13-14,16-18,30H2,1-3H3/t21-,23+,24-,25+,26+,27+,28-,29-/m1/s1
SMILES: CC1(OC[C@]2(O1)[C@H]([C@H]3[C@@H](CO2)O[C@@H](O3)[C@H]4C[C@@H]4CCC5=CC=CC=C5)OCC6=CC=C(C=C6)C7=CC=CC=C7)C
InChI: InChI=1S/C34H38O6/c1-33(2)37-22-34(40-33)31(35-20-24-14-16-26(17-15-24)25-11-7-4-8-12-25)30-29(21-36-34)38-32(39-30)28-19-27(28)18-13-23-9-5-3-6-10-23/h3-12,14-17,27-32H,13,18-22H2,1-2H3/t27-,28-,29+,30+,31-,32-,34-/m0/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC=C4[C@@]3(C=CC(=O)C4)C)O)C
InChI: InChI=1S/C27H42O3/c1-17(7-6-13-25(2,3)30)21-10-11-22-20-9-8-18-15-19(28)12-14-26(18,4)24(20)23(29)16-27(21,22)5/h8,12,14,17,20-24,29-30H,6-7,9-11,13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24-,26+,27-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]([C@@H]1[NH3+])C3=C2C(=C(C(=C3F)F)F)F
InChI: InChI=1S/C12H9F4N/c13-9-7-4-1-2-5(6(17)3-4)8(7)10(14)12(16)11(9)15/h1-2,4-6H,3,17H2/p+1/t4-,5+,6+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3F)C(C)C
InChI: InChI=1S/C24H33FO4/c1-16(2)18-11-10-17(3)14-21(18)29-22(26)15-28-23(27)24(12-6-7-13-24)19-8-4-5-9-20(19)25/h4-5,8-9,16-18,21H,6-7,10-15H2,1-3H3/t17-,18+,21-/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)[C@@H](C)NC(=O)[C@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C
InChI: InChI=1S/C22H30N2O7/c1-11-7-9-13(10-8-11)24-18(25)12(2)23-19(26)16-14-15(29-21(3,4)28-14)17-20(27-16)31-22(5,6)30-17/h7-10,12,14-17,20H,1-6H3,(H,23,26)(H,24,25)/t12-,14-,15+,16-,17-,20-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]2[C@@H](O1)N=C(O2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C13H22N2O10/c16-1-3-5(18)7(20)9(22)11(23-3)14-13-15-12-10(25-13)8(21)6(19)4(2-17)24-12/h3-12,16-22H,1-2H2,(H,14,15)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSC2=NN=C(N2C)C3=C(OC=C3)C
InChI: InChI=1S/C18H25N5O3S/c1-11-6-4-5-7-14(11)19-17(25)20-15(24)10-27-18-22-21-16(23(18)3)13-8-9-26-12(13)2/h8-9,11,14H,4-7,10H2,1-3H3,(H2,19,20,24,25)/t11-,14+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)N1CCC(=N1)C2=CC=CC=C2)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C22H23N3O5/c1-14(25-20(27)16-9-5-6-10-17(16)21(25)28)22(29)30-13-19(26)24-12-11-18(23-24)15-7-3-2-4-8-15/h2-8,14,16-17H,9-13H2,1H3/t14-,16+,17+/m0/s1
SMILES: CCC[C@@H]1[C@@]([C@H]2[C@H](CN[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OCC(=C)CO2)C)C)C)(C)O
InChI: InChI=1S/C34H62N2O9/c1-12-13-26-34(9,40)29-20(3)16-35-21(4)15-33(8,42-18-19(2)17-41-29)30(23(6)27(37)24(7)31(39)44-26)45-32-28(38)25(36(10)11)14-22(5)43-32/h20-30,32,35,37-38,40H,2,12-18H2,1,3-11H3/t20-,21+,22+,23-,24+,25-,26+,27-,28+,29+,30+,32-,33+,34+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C[C@@H](O[C@@H]3CCO)OC
InChI: InChI=1S/C24H34O4Si/c1-24(2,3)29(20-11-7-5-8-12-20,21-13-9-6-10-14-21)27-18-19-17-23(26-4)28-22(19)15-16-25/h5-14,19,22-23,25H,15-18H2,1-4H3/t19-,22-,23-/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C28H39NO3Si/c1-27(2,3)32-26(30)29-22-17-18-25(29)21(19-22)20-31-33(28(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22,25H,17-20H2,1-6H3/t21-,22-,25+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)OC)[C@@H](COC(=O)C)[C@H](CSC6=NN=CS6)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C47H56N3O8PS2Si/c1-32(58-62(7,8)47(3,4)5)41-42(39(29-56-33(2)51)40(52)30-60-46-49-48-31-61-46)50(43(41)53)44(45(54)57-28-34-24-26-35(55-6)27-25-34)59(36-18-12-9-13-19-36,37-20-14-10-15-21-37)38-22-16-11-17-23-38/h9-27,31-32,39-42,52H,28-30H2,1-8H3/t32-,39+,40+,41-,42-/m1/s1
SMILES: CO[C@H]1[C@H](O[C@H](CO1)[C@H](CO)O)OC2=CC3=C(C(=C2)OC)[C@@]4([C@H]([C@@H]([C@H]([C@@]4(O3)C5=CC=C(C=C5)OC)C6=CC=CC=C6)C(=O)OC)O)O
InChI: InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25+,26+,27+,29-,31+,32-,33-,34-/m0/s1
SMILES: CCCNCCO/N=C/1\[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C
InChI: InChI=1S/C35H65N3O10/c1-13-15-36-16-17-45-37-27-20(3)19-34(8,44-12)31(48-33-29(40)25(38(10)11)18-21(4)46-33)23(6)28(39)24(7)32(42)47-26(14-2)35(9,43)30(41)22(27)5/h20-26,29-31,33,36,40-41,43H,13-19H2,1-12H3/b37-27+/t20-,21-,22+,23+,24-,25+,26-,29-,30-,31-,33+,34-,35-/m1/s1
SMILES: CC(C)[C@@H](C(=O)O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCC3=CC=CC=C3)C2(C)C)C(C)(C)C
InChI: InChI=1S/C32H47F2N5O6/c1-17(2)23(29(43)44)37-30(45)38-25(31(3,4)5)28(42)39-16-19-22(32(19,6)7)24(39)27(41)36-20(15-21(33)34)26(40)35-14-13-18-11-9-8-10-12-18/h8-12,17,19-25H,13-16H2,1-7H3,(H,35,40)(H,36,41)(H,43,44)(H2,37,38,45)/t19-,20-,22-,23-,24-,25+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@@H]([C@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CN=CC=C3)O
InChI: InChI=1S/C18H16F3N3O5/c1-29-12-7-9(4-5-11(12)25)14-13(15(26)10-3-2-6-22-8-10)17(28,18(19,20)21)24-16(27)23-14/h2-8,13-14,25,28H,1H3,(H2,23,24,27)/t13-,14+,17-/m1/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)N5CCN(CC5)C)C)OC)C)C)O)N6CCOCC6)/C
InChI: InChI=1S/C45H60N4O13/c1-23-11-10-12-24(2)43(56)46-33-34(48-18-21-59-22-19-48)39(54)30-31(38(33)53)37(52)28(6)41-32(30)42(55)45(7,62-41)60-20-13-29(58-9)25(3)40(27(5)36(51)26(4)35(23)50)61-44(57)49-16-14-47(8)15-17-49/h10-13,20,23,25-27,29,35-36,40,50-52H,14-19,21-22H2,1-9H3,(H,46,56)/b11-10+,20-13+,24-12-/t23-,25+,26+,27+,29-,35-,36+,40+,45-/m0/s1
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H]1COCC[C@@H]1OP(=O)(O)O
InChI: InChI=1S/C23H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(24)29-22-20-28-19-18-21(22)30-31(25,26)27/h9-10,21-22H,2-8,11-20H2,1H3,(H2,25,26,27)/b10-9+/t21-,22+/m0/s1
SMILES: C1COCCN1C(=O)[C@@H]2CC=CC[C@H]2C(=O)NC3=CC=CC=C3Cl
InChI: InChI=1S/C18H21ClN2O3/c19-15-7-3-4-8-16(15)20-17(22)13-5-1-2-6-14(13)18(23)21-9-11-24-12-10-21/h1-4,7-8,13-14H,5-6,9-12H2,(H,20,22)/t13-,14-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C(=CC=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C30H24N2O8/c1-14-12-22(33)26-21(27(14)34)13-20-17(24(26)18-4-3-5-23(40-2)28(18)35)10-11-19-25(20)30(37)31(29(19)36)15-6-8-16(9-7-15)32(38)39/h3-10,12,19-20,24-25,35H,11,13H2,1-2H3/t19-,20+,24+,25-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2COC(C4=CC=CC=C4)C5=CC=CC=C5)N3C
InChI: InChI=1S/C29H33NO/c1-21-13-15-22(16-14-21)26-19-25-17-18-28(30(25)2)27(26)20-31-29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,25-29H,17-20H2,1-2H3/t25-,26+,27-,28+/m0/s1
SMILES: CCCCCCC(C)(C)C1=CC2=C([C@@H]3CC(=O)CC[C@H]3C(O2)(C)C)C(=C1)OC
InChI: InChI=1S/C25H38O3/c1-7-8-9-10-13-24(2,3)17-14-21(27-6)23-19-16-18(26)11-12-20(19)25(4,5)28-22(23)15-17/h14-15,19-20H,7-13,16H2,1-6H3/t19-,20-/m1/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@]2([C@@H]3CC[C@@]4([C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(C(=O)CC=C6)C)C)O2)C)CO
InChI: InChI=1S/C28H36O5/c1-16-14-23(32-24(31)18(16)15-29)27(4)21-11-13-28(33-27)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29H,7,9-15H2,1-4H3/t19-,20+,21+,23+,25+,26-,27+,28+/m0/s1
SMILES: C1=CC2=C(C=C1F)C3=C4C(=C5C6=C(C=CC(=C6)F)N7C5=C3N2[C@@H]8[C@H]7O[C@@H]([C@@H]([C@H]8O)O)CO)C(=O)NC4=O
InChI: InChI=1S/C26H17F2N3O6/c27-8-1-3-12-10(5-8)15-17-18(25(36)29-24(17)35)16-11-6-9(28)2-4-13(11)31-20(16)19(15)30(12)21-23(34)22(33)14(7-32)37-26(21)31/h1-6,14,21-23,26,32-34H,7H2,(H,29,35,36)/t14-,21+,22+,23+,26-/m1/s1
SMILES: CC(C)[C@H]1C[C@@H]([C@@]2([NH2+]1)C3=C(C=CC(=C3)F)NC2=O)C(=O)NC4=CC=C(C=C4)OC
InChI: InChI=1S/C22H24FN3O3/c1-12(2)19-11-17(20(27)24-14-5-7-15(29-3)8-6-14)22(26-19)16-10-13(23)4-9-18(16)25-21(22)28/h4-10,12,17,19,26H,11H2,1-3H3,(H,24,27)(H,25,28)/p+1/t17-,19-,22+/m1/s1
SMILES: C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@H]2OC(=O)C(C)(C)C)(C)CO)O
InChI: InChI=1S/C17H30O4/c1-15(2,3)14(20)21-13-7-6-11-16(13,4)9-8-12(19)17(11,5)10-18/h11-13,18-19H,6-10H2,1-5H3/t11-,12+,13+,16+,17-/m1/s1
SMILES: COC1=CC2=C(C=C1)NC(=C2)C(=O)N3C[C@@H]4C[C@]45C3=CC(=O)C6=C5C=C(C=N6)C(=O)OC
InChI: InChI=1S/C24H19N3O5/c1-31-15-3-4-17-12(5-15)7-18(26-17)22(29)27-11-14-9-24(14)16-6-13(23(30)32-2)10-25-21(16)19(28)8-20(24)27/h3-8,10,14,26H,9,11H2,1-2H3/t14-,24-/m0/s1
SMILES: CC1(CC2=C([C@H]([C@@H](O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)C(=O)C1)C
InChI: InChI=1S/C16H16ClNO4/c1-16(2)7-11(19)14-12(8-16)22-15(18(20)21)13(14)9-3-5-10(17)6-4-9/h3-6,13,15H,7-8H2,1-2H3/t13-,15-/m1/s1
SMILES: CC(=O)N[C@H]1CN([C@@H]([C@@H]([C@@H]1OC(=O)C)O)CO)C(=O)OC(C)(C)C
InChI: InChI=1S/C15H26N2O7/c1-8(19)16-10-6-17(14(22)24-15(3,4)5)11(7-18)12(21)13(10)23-9(2)20/h10-13,18,21H,6-7H2,1-5H3,(H,16,19)/t10-,11+,12-,13+/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)COC(=O)/C=C/C6=CC(=C(C=C6)O)OC)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChI: InChI=1S/C40H56O7/c1-24-14-19-40(35(44)45)21-20-38(5)27(34(40)25(24)2)10-12-31-36(3)17-16-32(42)37(4,30(36)15-18-39(31,38)6)23-47-33(43)13-9-26-8-11-28(41)29(22-26)46-7/h8-11,13,22,24-25,30-32,34,41-42H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,25+,30-,31-,32+,34+,36+,37-,38-,39-,40+/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H](C[C@@H](O2)N3C(=CC(=O)NC3=O)/C=C\Br)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C23H39BrN2O6Si2/c1-14(2)33(15(3)4)29-13-20-19(31-34(32-33,16(5)6)17(7)8)12-22(30-20)26-18(9-10-24)11-21(27)25-23(26)28/h9-11,14-17,19-20,22H,12-13H2,1-8H3,(H,25,27,28)/b10-9-/t19-,20+,22+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H]([C@@H]([C@@H]1OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C(=CO[C@H]2O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C(=O)OC
InChI: InChI=1S/C31H34O13/c1-15-20-21(18(29(38)39-2)14-40-30(20)44-31-24(35)23(34)22(33)19(13-32)41-31)26(43-28(37)17-11-7-4-8-12-17)25(15)42-27(36)16-9-5-3-6-10-16/h3-12,14-15,19-26,30-35H,13H2,1-2H3/t15-,19-,20-,21-,22-,23+,24-,25-,26+,30+,31+/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@@H]([C@H]([C@H]([C@]1(N2)O)O)O)O)O
InChI: InChI=1S/C7H13NO5/c9-2-1-7(13)6(12)5(11)4(10)3(2)8-7/h2-6,8-13H,1H2/t2-,3+,4-,5+,6+,7+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CC=CC=C2OCC(=O)[O-])/C#N
InChI: InChI=1S/C19H22N2O4/c1-13-6-2-4-8-16(13)21-19(24)15(11-20)10-14-7-3-5-9-17(14)25-12-18(22)23/h3,5,7,9-10,13,16H,2,4,6,8,12H2,1H3,(H,21,24)(H,22,23)/p-1/b15-10+/t13-,16-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCC(/C=C/C#N)O[C@@H]1C/C=C\C[C@@H]([C@H](O[C@H]1C=C)COCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C36H49NO5Si/c1-7-32-34(41-31(21-16-24-37)27-40-43(5,6)36(2,3)4)23-15-14-22-33(39-26-30-19-12-9-13-20-30)35(42-32)28-38-25-29-17-10-8-11-18-29/h7-21,31-35H,1,22-23,25-28H2,2-6H3/b15-14-,21-16+/t31?,32-,33-,34+,35+/m0/s1
SMILES: CCCOC1=CC=CC=C1[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)O[C@H](C)C(C)(C)C
InChI: InChI=1S/C21H30N2O4/c1-7-12-26-16-11-9-8-10-15(16)18-17(13(2)22-20(25)23-18)19(24)27-14(3)21(4,5)6/h8-11,14,17-18H,2,7,12H2,1,3-6H3,(H2,22,23,25)/t14-,17+,18-/m1/s1
SMILES: COC(=O)C1=C(N2C(=O)[C@@H]([C@H](N2[C@H]1C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)C(=O)OC
InChI: InChI=1S/C29H24N4O8/c1-40-28(36)21-23(19-14-9-15-20(16-19)33(38)39)31-24(17-10-5-3-6-11-17)22(27(35)32(31)25(21)29(37)41-2)30-26(34)18-12-7-4-8-13-18/h3-16,22-24H,1-2H3,(H,30,34)/t22-,23+,24-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN5CCC(CC5)(C6=CC=C(C=C6)Cl)O
InChI: InChI=1S/C41H46ClN3O7/c1-27-36(25-45-22-20-41(49,21-23-45)32-14-16-33(42)17-15-32)51-39(52-37(27)30-10-8-29(26-46)9-11-30)31-12-18-34(19-13-31)43-40(48)44-35(38(47)50-2)24-28-6-4-3-5-7-28/h3-19,27,35-37,39,46,49H,20-26H2,1-2H3,(H2,43,44,48)/t27-,35+,36+,37+,39+/m1/s1
SMILES: COC1=CC=C(C=C1)CN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C4CC4
InChI: InChI=1S/C20H24N2O3/c1-25-16-10-6-14(7-11-16)12-21(15-8-9-15)13-22-19(23)17-4-2-3-5-18(17)20(22)24/h2-3,6-7,10-11,15,17-18H,4-5,8-9,12-13H2,1H3/t17-,18-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)C2=CC=C(C=C2)C(C)(C)C
InChI: InChI=1S/C19H29NS/c1-13-7-6-8-17(14(13)2)20-18(21)15-9-11-16(12-10-15)19(3,4)5/h9-14,17H,6-8H2,1-5H3,(H,20,21)/t13-,14+,17+/m0/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C3=NC=C(O3)/C=C\C(=O)OC)/C)[C@H](C)O
InChI: InChI=1S/C23H33NO8/c1-12(8-19-24-10-16(31-19)5-6-20(26)29-4)7-17-22(28)21(27)15(11-30-17)9-18-23(32-18)13(2)14(3)25/h5-6,8,10,13-15,17-18,21-23,25,27-28H,7,9,11H2,1-4H3/b6-5-,12-8+/t13-,14-,15-,17-,18-,21+,22-,23-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(O4)CO)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)Br
InChI: InChI=1S/C37H28BrClN2O6/c38-21-9-11-23(12-10-21)40-33(43)27-15-14-26-28(31(27)35(40)45)18-29-34(44)41(24-8-4-7-22(39)17-24)36(46)37(29,20-5-2-1-3-6-20)32(26)30-16-13-25(19-42)47-30/h1-14,16-17,27-29,31-32,42H,15,18-19H2/t27-,28+,29-,31-,32+,37+/m0/s1
SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N\O)/CC[C@]34C)C)O
InChI: InChI=1S/C21H33NO2/c1-13(23)17-6-7-18-16-5-4-14-12-15(22-24)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,23-24H,4-11H2,1-3H3/b22-15-/t13-,16+,17-,18+,19+,20+,21-/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)OC(=O)C5CCCC5)C)C
InChI: InChI=1S/C28H38O4/c1-17-15-24-22-10-9-20-16-21(30)11-13-26(20,3)23(22)12-14-27(24,4)28(17,18(2)29)32-25(31)19-7-5-6-8-19/h9-10,16-17,19,22-24H,5-8,11-15H2,1-4H3/t17-,22+,23-,24-,26-,27-,28-/m0/s1
SMILES: C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC[C@@H]5[C@@H]([C@]4(C[C@H]3O2)C=O)CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O
InChI: InChI=1S/C29H38O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-22,25,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,25+,26-,27-,28+,29+/m1/s1