EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3[C@H](C(C4)(C)C)O)C=O)O)C)O)OC
InChI: InChI=1S/C24H30O7/c1-12-6-15(30-5)8-16(26)18(12)21(28)31-17-10-23(4)19-13(9-22(2,3)20(19)27)7-14(11-25)24(17,23)29/h6-8,11,13,17,19-20,26-27,29H,9-10H2,1-5H3/t13-,17-,19-,20-,23-,24+/m1/s1
SMILES: CCCCC#CC1=NN(C2=NC=NC(=C12)N)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C16H21N5O3/c1-2-3-4-5-6-10-14-15(17)18-9-19-16(14)21(20-10)13-7-11(23)12(8-22)24-13/h9,11-13,22-23H,2-4,7-8H2,1H3,(H2,17,18,19)/t11-,12+,13+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@@]2(CC3=C1N=C(S3)NC(=O)C4=CC5=C(C=C4)OCO5)C)[C@H](C)C(=O)N(C)CC=C)O
InChI: InChI=1S/C28H35N3O5S/c1-6-11-31(5)26(34)15(2)18-9-10-28(4)13-21-23(16(3)22(28)24(18)32)29-27(37-21)30-25(33)17-7-8-19-20(12-17)36-14-35-19/h6-8,12,15-16,18,22,24,32H,1,9-11,13-14H2,2-5H3,(H,29,30,33)/t15-,16-,18-,22+,24-,28+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)C2CC(=O)N)OC3=CC=CC=C3
InChI: InChI=1S/C18H17NO3/c19-15(20)11-14-16(12-7-3-1-4-8-12)18(17(14)21)22-13-9-5-2-6-10-13/h1-10,14,16,18H,11H2,(H2,19,20)/t14?,16-,18-/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C22H27N3O5/c1-24(2)16-9-7-15(8-10-16)13-23-19(26)14-30-20(27)11-12-25-21(28)17-5-3-4-6-18(17)22(25)29/h3-4,7-10,17-18H,5-6,11-14H2,1-2H3,(H,23,26)/t17-,18-/m0/s1
SMILES: C1C[NH+](CC[NH+]1C[C@@H]2C[C@H]3C[C@@H]2C=C3)CC4=CC=C(C=C4)F
InChI: InChI=1S/C19H25FN2/c20-19-5-2-15(3-6-19)13-21-7-9-22(10-8-21)14-18-12-16-1-4-17(18)11-16/h1-6,16-18H,7-14H2/p+2/t16-,17+,18+/m1/s1
SMILES: C/C=C/1\CN2CC[C@@]34[C@@H]2C[C@@H]1[C@@H]([C@@H]3NC5=CC=CC=C45)C
InChI: InChI=1S/C19H24N2/c1-3-13-11-21-9-8-19-15-6-4-5-7-16(15)20-18(19)12(2)14(13)10-17(19)21/h3-7,12,14,17-18,20H,8-11H2,1-2H3/b13-3+/t12-,14+,17-,18-,19+/m0/s1
SMILES: CCC[C@H]1CC(=O)C[C@H](N1[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)CCC
InChI: InChI=1S/C37H63NO10/c1-15-17-22-19-24(39)20-23(18-16-2)38(22)29-28(48-33(43)37(12,13)14)27(47-32(42)36(9,10)11)26(46-31(41)35(6,7)8)25(45-29)21-44-30(40)34(3,4)5/h22-23,25-29H,15-21H2,1-14H3/t22-,23+,25-,26+,27+,28-,29-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=S)N(C2=O)C(=O)CC3=CC=CC=C3)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H24N2O9S/c1-13(26)31-12-17-20(32-14(2)27)21(33-15(3)28)22(34-17)24-10-9-19(35)25(23(24)30)18(29)11-16-7-5-4-6-8-16/h4-10,17,20-22H,11-12H2,1-3H3/t17-,20-,21-,22-/m1/s1
SMILES: C1CN(CCC1C2=C3C(=CC=C2)OCCO3)[C@H]4[C@@H](CC5=C4C=C(C=C5)[N+](=O)[O-])O
InChI: InChI=1S/C22H24N2O5/c25-19-12-15-4-5-16(24(26)27)13-18(15)21(19)23-8-6-14(7-9-23)17-2-1-3-20-22(17)29-11-10-28-20/h1-5,13-14,19,21,25H,6-12H2/t19-,21-/m1/s1
SMILES: C/C=C\1/C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@@H]4OC(=O)C)OC(=O)C)C)C
InChI: InChI=1S/C25H34O5/c1-6-17-21(28)13-20-16-7-8-19-23(30-15(3)27)22(29-14(2)26)10-12-25(19,5)18(16)9-11-24(17,20)4/h6,8,16,18,20,22-23H,7,9-13H2,1-5H3/b17-6-/t16-,18+,20+,22+,23-,24-,25-/m1/s1
SMILES: C[C@@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@H]4[NH2+]C[C@@H](COC5=CC=CC=C5)O)C
InChI: InChI=1S/C28H43NO2/c1-27-16-7-6-8-20(27)11-12-23-24-13-14-26(28(24,2)17-15-25(23)27)29-18-21(30)19-31-22-9-4-3-5-10-22/h3-5,9-10,20-21,23-26,29-30H,6-8,11-19H2,1-2H3/p+1/t20-,21+,23+,24-,25+,26+,27-,28-/m1/s1
SMILES: CC(C)(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)COC(=O)C4=CC=CC(=C4O)C(=O)C5=CC(=CC(=C5O)C(=O)C6=CC=CC=C6O)Cl
InChI: InChI=1S/C41H35ClN2O12S/c1-41(2,3)56-40(53)32-21(20-57-38-31(37(51)44(32)38)43-30(46)19-54-23-10-5-4-6-11-23)18-55-39(52)26-14-9-13-25(34(26)48)35(49)28-17-22(42)16-27(36(28)50)33(47)24-12-7-8-15-29(24)45/h4-17,31,38,45,48,50H,18-20H2,1-3H3,(H,43,46)/t31-,38-/m1/s1
SMILES: CCCCC[C@@H]1[C@H](CCC1=O)CC(=O)[O-].CCCCC[C@@H]1[C@H](CCC1=O)CC(=O)[O-].[Mg+2]
InChI: InChI=1S/2C12H20O3.Mg/c2*1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13;/h2*9-10H,2-8H2,1H3,(H,14,15);/q;;+2/p-2/t2*9-,10-;/m11./s1
SMILES: CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C19H36O10/c1-2-3-4-5-6-7-8-26-19-17(14(23)12(10-21)28-19)29-18-16(25)15(24)13(22)11(9-20)27-18/h11-25H,2-10H2,1H3/t11-,12-,13-,14-,15+,16+,17+,18-,19+/m1/s1
SMILES: C[C@]12CCC[C@@]3([C@H]1C[C@H]4[C@@H](C2)OC(=O)[C@H]4CN5CCC(CC5)CC6=CC=CC=C6)CO3
InChI: InChI=1S/C27H37NO3/c1-26-10-5-11-27(18-30-27)24(26)15-21-22(25(29)31-23(21)16-26)17-28-12-8-20(9-13-28)14-19-6-3-2-4-7-19/h2-4,6-7,20-24H,5,8-18H2,1H3/t21-,22+,23-,24+,26-,27+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H]3C(=O)CCC[C@]3(OC4=CC5=C(C=C24)OCO5)O
InChI: InChI=1S/C21H20O6/c1-24-13-6-4-12(5-7-13)19-14-9-17-18(26-11-25-17)10-16(14)27-21(23)8-2-3-15(22)20(19)21/h4-7,9-10,19-20,23H,2-3,8,11H2,1H3/t19-,20+,21-/m1/s1
SMILES: CCC1=CC2([C@@H]3[C@H](C1[C@@H]4[C@H]2C(=O)NC4=O)C(=O)NC3=O)CC
InChI: InChI=1S/C16H18N2O4/c1-3-6-5-16(4-2)10-8(12(19)17-14(10)21)7(6)9-11(16)15(22)18-13(9)20/h5,7-11H,3-4H2,1-2H3,(H,17,19,21)(H,18,20,22)/t7?,8-,9+,10+,11-,16?
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)CSC5=NC=NN5
InChI: InChI=1S/C27H28N4O5S2/c1-18-24(16-37-27-28-17-29-30-27)35-26(36-25(18)20-9-7-19(15-32)8-10-20)21-11-13-22(14-12-21)31-38(33,34)23-5-3-2-4-6-23/h2-14,17-18,24-26,31-32H,15-16H2,1H3,(H,28,29,30)/t18-,24+,25+,26+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=[Cr])C[C@H]([C@@H]2CCC[C@H]([C@]2(C)O)[C@H](C3=CC=C(C=C3)Cl)O)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChI: InChI=1S/C39H49ClO3.5CO.Cr/c1-27-18-23-34(38(2,3)30-14-9-6-10-15-30)36(26-27)43-25-24-32(28-12-7-5-8-13-28)33-16-11-17-35(39(33,4)42)37(41)29-19-21-31(40)22-20-29;5*1-2;/h5-10,12-15,19-22,27,32-37,41-42H,11,16-18,23-24,26H2,1-4H3;;;;;;/t27-,32+,33+,34-,35+,36-,37+,39-;;;;;;/m1....../s1
SMILES: CCCCCCCCCCCCOS(=O)(=O)O.CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N
InChI: InChI=1S/C21H41N5O7.C12H26O4S/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3;2-12H2,1H3,(H,13,14,15)/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+;/m1./s1
SMILES: C[C@@H](CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@H]1OC(=O)C2=CC=CC=C2)OC)COCC3=CC=CC=C3)OCC4=CC=CC=C4)C=C
InChI: InChI=1S/C34H38O8/c1-4-24(2)20-29(35)41-31-30(39-22-26-16-10-6-11-17-26)28(23-38-21-25-14-8-5-9-15-25)40-34(37-3)32(31)42-33(36)27-18-12-7-13-19-27/h4-19,24,28,30-32,34H,1,20-23H2,2-3H3/t24-,28-,30-,31+,32+,34+/m1/s1
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C
InChI: InChI=1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15,17-19,26H,3-10,12-13H2,1-2H3/t15-,17+,18+,19+,21-,22+,23-/m0/s1
SMILES: CC1=CC(=C(C=C1)OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C
InChI: InChI=1S/C18H24N2O5/c1-11-7-8-15(12(2)9-11)25-10-16(21)19-20-17(22)13-5-3-4-6-14(13)18(23)24/h7-9,13-14H,3-6,10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/p-1/t13-,14+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3[C@H]4C[C@@]([C@@H]3C/C=C\CCCC(=O)OC)(CO4)CC5=CC=CC=C5
InChI: InChI=1S/C38H48O4Si/c1-37(2,3)43(31-20-12-8-13-21-31,32-22-14-9-15-23-32)42-28-33-34(24-16-5-6-17-25-36(39)40-4)38(27-35(33)41-29-38)26-30-18-10-7-11-19-30/h5,7-16,18-23,33-35H,6,17,24-29H2,1-4H3/b16-5-/t33-,34-,35-,38-/m1/s1
SMILES: C1C(C(=O)N(C1=O)C2=CC=CC=C2)[C@H]3[C@H]4[C@@H](C5=C(C3=O)C6=CC=CC=C6N5)C(=O)N(C4=O)C7=CC=CC=C7
InChI: InChI=1S/C30H21N3O5/c34-21-15-19(28(36)32(21)16-9-3-1-4-10-16)22-24-25(30(38)33(29(24)37)17-11-5-2-6-12-17)26-23(27(22)35)18-13-7-8-14-20(18)31-26/h1-14,19,22,24-25,31H,15H2/t19?,22-,24-,25-/m0/s1
SMILES: CC1=C2C(=C(C=C1)C(=O)O)[C@@H]3C=CC[C@@H]3[C@@H](N2)C4=CC=CC=C4
InChI: InChI=1S/C20H19NO2/c1-12-10-11-16(20(22)23)17-14-8-5-9-15(14)19(21-18(12)17)13-6-3-2-4-7-13/h2-8,10-11,14-15,19,21H,9H2,1H3,(H,22,23)/t14-,15+,19+/m1/s1
SMILES: C[C@H](CCCC(C)C(=O)OCC(=O)C1=CC=C(C=C1)Br)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
InChI: InChI=1S/C35H51BrO5/c1-21(6-5-7-22(2)33(40)41-20-31(39)23-8-10-25(36)11-9-23)27-12-13-28-32-29(15-17-35(27,28)4)34(3)16-14-26(37)18-24(34)19-30(32)38/h8-11,21-22,24,26-30,32,37-38H,5-7,12-20H2,1-4H3/t21-,22?,24+,26-,27-,28+,29+,30-,32+,34+,35-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@]2(C)[C@@H]3C[C@@H]4[C@@](O4)(C(=O)C3)C
InChI: InChI=1S/C17H21NO4S/c1-11-4-6-13(7-5-11)23(20,21)18-10-16(18,2)12-8-14(19)17(3)15(9-12)22-17/h4-7,12,15H,8-10H2,1-3H3/t12-,15+,16-,17-,18?/m0/s1
SMILES: CCCC(=O)N(CC1=CC=C(C=C1)F)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C28H31FN2O7/c1-3-4-23(34)31(14-16-5-7-18(29)8-6-16)21-13-20(28(36)30-9-10-32)24-19-11-17(15-33)12-22(37-2)26(19)38-27(24)25(21)35/h5-8,11-13,15,21,24-25,27,32,35H,3-4,9-10,14H2,1-2H3,(H,30,36)/t21-,24+,25+,27+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CCN2C3=CC=CC=C3OC2=O
InChI: InChI=1S/C20H26N2O5/c1-13-7-3-4-8-15(13)21-19(24)14(2)26-18(23)11-12-22-16-9-5-6-10-17(16)27-20(22)25/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3,(H,21,24)/t13-,14+,15+/m0/s1
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O.C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
InChI: InChI=1S/C30H46O4.C14H10O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);1-10H/t19-,21-,22-,23+,26+,27-,28-,29+,30+;/m0./s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC7=CC=CC=C7C=C6)CCCCO)CCCCO)N(CCOCCO)C(=O)C=CC8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C57H63N3O11/c1-2-32-68-57-53(59(28-33-67-34-31-63)54(64)27-20-40-18-22-45(23-19-40)60(65)66)38-51(58-69-39-41-12-4-3-5-13-41)49-36-44(16-8-10-29-61)48(17-9-11-30-62)55(56(49)57)50-37-47(25-26-52(50)71-57)70-46-24-21-42-14-6-7-15-43(42)35-46/h2-7,12-15,18-27,35-37,44,48,53,55-56,61-63H,1,8-11,16-17,28-34,38-39H2/t44-,48+,53-,55+,56+,57+/m0/s1
SMILES: CCCOC1=CC(=C(C=C1)[C@H]2[C@@H]([C@@](NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)OCCC
InChI: InChI=1S/C22H25F3N2O4S2/c1-3-9-30-13-7-8-14(15(12-13)31-10-4-2)18-17(19(28)16-6-5-11-33-16)21(29,22(23,24)25)27-20(32)26-18/h5-8,11-12,17-18,29H,3-4,9-10H2,1-2H3,(H2,26,27,32)/t17-,18+,21+/m1/s1
SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)C(C)(C)C)OC)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C22H28N2O4/c1-13(24-20(26)15-8-6-7-9-16(15)21(24)27)19(25)23-17-12-14(22(2,3)4)10-11-18(17)28-5/h6-7,10-13,15-16H,8-9H2,1-5H3,(H,23,25)/t13-,15+,16+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CBr
InChI: InChI=1S/C19H25BrO2/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)COS(=O)(=O)[O-])O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O.[Na+].[Na+]
InChI: InChI=1S/C14H23NO15S.2Na/c1-3(16)15-5-10(6(17)4(28-13(5)23)2-27-31(24,25)26)29-14-9(20)7(18)8(19)11(30-14)12(21)22;;/h4-11,13-14,17-20,23H,2H2,1H3,(H,15,16)(H,21,22)(H,24,25,26);;/q;2*+1/p-2/t4-,5-,6+,7+,8+,9-,10-,11+,13+,14-;;/m1../s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)OCC3=CC=CS3
InChI: InChI=1S/C14H15FN2O5S/c15-9-5-17(14(20)16-13(9)19)12-4-10(11(6-18)22-12)21-7-8-2-1-3-23-8/h1-3,5,10-12,18H,4,6-7H2,(H,16,19,20)/t10-,11+,12+/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1CN3[C@H]([C@H]4CC=C[C@H]4C5=CC(=CC2=C53)C(=O)O)C6=CC=CC=C6Cl
InChI: InChI=1S/C25H22ClNO2/c26-22-10-2-1-6-19(22)23-18-9-4-8-17(18)21-12-15(25(28)29)11-20-16-7-3-5-14(16)13-27(23)24(20)21/h1-4,6-8,10-12,14,16-18,23H,5,9,13H2,(H,28,29)/t14-,16-,17-,18+,23-/m1/s1
SMILES: C[C@@H]1C[C@@H]2C([C@H](OC(=O)C[C@H]3[C@@H]([C@H](C[C@H](O3)C[C@](C1=O)(O2)OC)OCC4=CC=CC=C4)C)C=C)(C)C
InChI: InChI=1S/C29H40O7/c1-7-24-28(4,5)25-13-18(2)27(31)29(32-6,36-25)16-21-14-22(33-17-20-11-9-8-10-12-20)19(3)23(34-21)15-26(30)35-24/h7-12,18-19,21-25H,1,13-17H2,2-6H3/t18-,19-,21+,22+,23+,24-,25-,29-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)SC5=CC=C(C=C5)C(=O)OC)C
InChI: InChI=1S/C23H30O6S/c1-13-5-10-18-14(2)20(30-16-8-6-15(7-9-16)19(24)25-4)26-21-23(18)17(13)11-12-22(3,27-21)28-29-23/h6-9,13-14,17-18,20-21H,5,10-12H2,1-4H3/t13-,14-,17+,18+,20+,21-,22-,23-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]([C@H]3CC=C2C1)CCC4=O)C)C
InChI: InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16+,17+,18+,20-,21+/m0/s1
SMILES: CC1=C(C=CC2=C1[C@H]3[C@H](C[C@@H]3C(C)(C)O[Si](C)(C)C)[C@H](C2)CO[Si](C(C)C)(C(C)C)C(C)C)N[Si](C)(C)C
InChI: InChI=1S/C32H61NO2Si3/c1-21(2)38(22(3)4,23(5)6)34-20-26-18-25-16-17-29(33-36(10,11)12)24(7)30(25)31-27(26)19-28(31)32(8,9)35-37(13,14)15/h16-17,21-23,26-28,31,33H,18-20H2,1-15H3/t26-,27-,28+,31+/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OCOC(=O)C4=CN(C=CC4)C)C
InChI: InChI=1S/C24H27N3O6S/c1-24(2)19(23(31)33-14-32-22(30)16-10-7-11-26(3)13-16)27-20(29)18(21(27)34-24)25-17(28)12-15-8-5-4-6-9-15/h4-9,11,13,18-19,21H,10,12,14H2,1-3H3,(H,25,28)/t18-,19+,21-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F
InChI: InChI=1S/C20H23FN2O3S/c1-12-4-3-5-16(13(12)2)22-18(24)10-26-20(25)17-11-27-19(23-17)14-6-8-15(21)9-7-14/h6-9,11-13,16H,3-5,10H2,1-2H3,(H,22,24)/t12-,13-,16-/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
InChI: InChI=1S/C20H39NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(23)21-17-19(25)18(24)15(14-22)27-20(17)26/h15,17-20,22,24-26H,2-14H2,1H3,(H,21,23)/t15-,17-,18-,19-,20-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H](C=CC2C1[C@H](C[C@H](C2)C(=O)CC(=O)OC(C)(C)C)O)C
InChI: InChI=1S/C21H32O6/c1-6-26-20(25)18-12(2)7-8-13-9-14(10-16(23)19(13)18)15(22)11-17(24)27-21(3,4)5/h7-8,12-14,16,18-19,23H,6,9-11H2,1-5H3/t12-,13?,14-,16-,18-,19?/m0/s1
SMILES: CC[C@@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C5=C(CC[C@@]4([C@H]3CC[C@]12C)C)O[C@]6(C(=O)CC[C@]7([C@]6(C5)CCC8=C9CC[C@@H]([C@]9(CC[C@@H]87)C)[C@H](C)CC[C@H](CC)C(C)C)C)C)C(C)C
InChI: InChI=1S/C60H96O2/c1-14-41(37(3)4)18-16-39(7)46-22-24-48-43-20-21-50-45-36-60-35-26-44-49-25-23-47(40(8)17-19-42(15-2)38(5)6)56(49,10)32-28-52(44)58(60,12)34-30-54(61)59(60,13)62-53(45)29-33-57(50,11)51(43)27-31-55(46,48)9/h37-42,46-47,50-52H,14-36H2,1-13H3/t39-,40-,41+,42+,46-,47-,50+,51+,52+,55-,56-,57+,58-,59+,60-/m1/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@H]2CC(=O)NC3=CC(CC(=O)[C@@H]23)(C)C)C
InChI: InChI=1S/C20H24N2O3/c1-11-5-6-13(7-12(11)2)21-19(25)14-8-17(24)22-15-9-20(3,4)10-16(23)18(14)15/h5-7,9,14,18H,8,10H2,1-4H3,(H,21,25)(H,22,24)/t14-,18-/m0/s1
SMILES: CP(=O)(CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC=C2)O)O)O)O.[Na+]
InChI: InChI=1S/C22H33O6P.Na/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18;/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27);/q;+1/b7-2-,13-12+;/t17-,19-,20-,21+,22-;/m1./s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N[C@@H](C)C(=O)NC2=C(C=C(C=C2)F)Cl
InChI: InChI=1S/C17H24ClFN2O/c1-10-5-4-6-15(11(10)2)20-12(3)17(22)21-16-8-7-13(19)9-14(16)18/h7-12,15,20H,4-6H2,1-3H3,(H,21,22)/t10-,11+,12-,15+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=CC=C2C(=O)N(C)CC3=CC=CC=C3
InChI: InChI=1S/C25H30N2O4/c1-18-10-6-9-15-22(18)26-23(28)17-31-25(30)21-14-8-7-13-20(21)24(29)27(2)16-19-11-4-3-5-12-19/h3-5,7-8,11-14,18,22H,6,9-10,15-17H2,1-2H3,(H,26,28)/t18-,22-/m0/s1
SMILES: C[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=C(C=CC(=C3)Cl)O)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)[O-]
InChI: InChI=1S/C21H19ClN2O5/c1-21(20(28)29)16-15(17(23-21)13-9-12(22)7-8-14(13)25)18(26)24(19(16)27)10-11-5-3-2-4-6-11/h2-9,15-17,23,25H,10H2,1H3,(H,28,29)/t15-,16+,17-,21-/m0/s1
SMILES: CO[C@@H]1CN(CC[C@@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCSC3=NC=CC=N3
InChI: InChI=1S/C20H26ClN5O3S/c1-28-17-11-15(22)14(21)10-13(17)19(27)25-16-4-7-26(12-18(16)29-2)8-9-30-20-23-5-3-6-24-20/h3,5-6,10-11,16,18H,4,7-9,12,22H2,1-2H3,(H,25,27)/t16-,18+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)[C@H]3CCC4C3(CC(C5C4CCC6=CC(=O)CCC56C)O)C)N=[N+]=[N-]
InChI: InChI=1S/C30H39N5O7/c1-15-13-35(28(40)32-26(15)38)24-11-21(33-34-31)23(42-24)14-41-27(39)20-7-6-19-18-5-4-16-10-17(36)8-9-29(16,2)25(18)22(37)12-30(19,20)3/h10,13,18-25,37H,4-9,11-12,14H2,1-3H3,(H,32,38,40)/t18?,19?,20-,21+,22?,23-,24-,25?,29?,30?/m1/s1
SMILES: CC1=C2C(=CC=C1)COP(=O)(O2)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C(N=CN=C54)N)O
InChI: InChI=1S/C18H20N5O6P/c1-10-3-2-4-11-6-26-30(25,29-16(10)11)27-7-13-12(24)5-14(28-13)23-9-22-15-17(19)20-8-21-18(15)23/h2-4,8-9,12-14,24H,5-7H2,1H3,(H2,19,20,21)/t12-,13+,14+,30?/m0/s1
SMILES: CC(=O)OC([C@@]12C=C[C@@H](O1)[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)Cl)OC(=O)C
InChI: InChI=1S/C19H16ClNO7/c1-9(22)26-18(27-10(2)23)19-8-7-13(28-19)14-15(19)17(25)21(16(14)24)12-5-3-11(20)4-6-12/h3-8,13-15,18H,1-2H3/t13-,14-,15+,19+/m1/s1
SMILES: CC(=O)C12[C@H]3[C@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)NC3=O
InChI: InChI=1S/C20H15NO3/c1-10(22)20-13-8-4-2-6-11(13)15(12-7-3-5-9-14(12)20)16-17(20)19(24)21-18(16)23/h2-9,15-17H,1H3,(H,21,23,24)/t15?,16-,17-,20?/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)/[N+](=C/C4=CC=CC=C4)/[O-])C
InChI: InChI=1S/C19H25NO6/c1-18(2)22-11-13(24-18)15-14(16-17(23-15)26-19(3,4)25-16)20(21)10-12-8-6-5-7-9-12/h5-10,13-17H,11H2,1-4H3/b20-10-/t13-,14-,15-,16-,17-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5)OCC6=CC=CC=C6)O)C(=O)N(C4=O)C(=O)N)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C35H31N3O7/c1-35-26(31(41)37(33(35)43)20-10-6-3-7-11-20)17-25-22(14-15-24-28(25)32(42)38(30(24)40)34(36)44)29(35)23-13-12-21(16-27(23)39)45-18-19-8-4-2-5-9-19/h2-14,16,24-26,28-29,39H,15,17-18H2,1H3,(H2,36,44)/t24-,25+,26-,28-,29+,35+/m0/s1
SMILES: CC(C)N1C(=O)[C@H]2[C@@H](N(O[C@@H]2C1=O)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C20H18Cl2N2O3/c1-11(2)23-19(25)16-17(14-9-8-12(21)10-15(14)22)24(27-18(16)20(23)26)13-6-4-3-5-7-13/h3-11,16-18H,1-2H3/t16-,17-,18-/m0/s1
SMILES: CCOC1=NC2=C(C=CC=C2Cl)C(=C1)O[C@@H]3C[C@@H](N(C3)C(=O)[C@@H](CC(=O)NC(C)(C)C)C(C)(C)C)C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C5CC5
InChI: InChI=1S/C37H50ClN5O8S/c1-9-21-19-37(21,34(47)42-52(48,49)23-14-15-23)41-32(45)27-16-22(51-28-18-30(50-10-2)39-31-24(28)12-11-13-26(31)38)20-43(27)33(46)25(35(3,4)5)17-29(44)40-36(6,7)8/h9,11-13,18,21-23,25,27H,1,10,14-17,19-20H2,2-8H3,(H,40,44)(H,41,45)(H,42,47)/t21-,22-,25-,27-,37-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)Cl)N)O
InChI: InChI=1S/C16H26ClN5O3Si/c1-16(2,3)26(4,5)24-7-10-9(23)6-11(25-10)22-8-19-12-13(18)20-15(17)21-14(12)22/h8-11,23H,6-7H2,1-5H3,(H2,18,20,21)/t9-,10+,11+/m0/s1
SMILES: C1=CC=C(C=C1)N2C(=O)N[C@@]3([C@@]2(C4=CC=CC=C4C3=O)O)O
InChI: InChI=1S/C16H12N2O4/c19-13-11-8-4-5-9-12(11)16(22)15(13,21)17-14(20)18(16)10-6-2-1-3-7-10/h1-9,21-22H,(H,17,20)/t15-,16-/m1/s1
SMILES: C[C@@H]([C@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)OC
InChI: InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14+,16+/m0/s1
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C22H27N3O4/c1-29-19-9-5-4-8-18(19)23-12-14-24(15-13-23)20(26)10-11-25-21(27)16-6-2-3-7-17(16)22(25)28/h2-5,8-9,16-17H,6-7,10-15H2,1H3/t16-,17+
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)C)C
InChI: InChI=1S/C19H25N3O3/c1-12-7-8-15(13(2)10-12)20-16(23)11-22-17(24)19(21-18(22)25)9-5-4-6-14(19)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,20,23)(H,21,25)/t14-,19+/m0/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3=CCCCC3)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=NC1=CC=CC=C1S9
InChI: InChI=1S/C54H48N4O9S/c1-64-31-32-66-53(63)57-42-28-23-35(22-21-34-13-5-2-6-14-34)33-40(42)54(51(57)62)44(49(60)56-52-55-41-19-11-12-20-43(41)68-52)46-50(61)67-47(37-17-9-4-10-18-37)45(36-15-7-3-8-16-36)58(46)48(54)38-24-26-39(27-25-38)65-30-29-59/h3-4,7-13,15-20,23-28,33,44-48,59H,2,5-6,14,29-32H2,1H3,(H,55,56,60)/t44-,45-,46-,47+,48+,54-/m0/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@H]3C[C@H](O[C@H](O3)C4=CC=C(C=C4)C5=CC=CC(=C5)CNC(=O)NC67CC8CC(C6)CC(C8)C7)C9=CC=C(C=C9)CO
InChI: InChI=1S/C50H66N4O5/c1-49(2,3)52-46(56)44-20-19-38-8-4-5-10-43(38)54(44)30-42-25-45(39-13-11-32(31-55)12-14-39)59-47(58-42)40-17-15-37(16-18-40)41-9-6-7-33(24-41)29-51-48(57)53-50-26-34-21-35(27-50)23-36(22-34)28-50/h6-7,9,11-18,24,34-36,38,42-45,47,55H,4-5,8,10,19-23,25-31H2,1-3H3,(H,52,56)(H2,51,53,57)/t34?,35?,36?,38-,42-,43-,44-,45+,47+,50?/m1/s1
SMILES: CN(C)C1=CC(=CC=C1)OC2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)C5=CC=C(C=C5)OC
InChI: InChI=1S/C23H26N6O5/c1-28(2)15-5-4-6-17(11-15)34-23-25-26-27-29(23)19-13-33-20-18(12-32-21(19)20)24-22(30)14-7-9-16(31-3)10-8-14/h4-11,18-21H,12-13H2,1-3H3,(H,24,30)/t18-,19-,20+,21+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)C2=CC=CC=C2)CCC(=O)OC
InChI: InChI=1S/C26H46O5Si2/c1-25(2,3)32(8,9)30-23-20(17-18-21(27)28-7)29-22(19-15-13-12-14-16-19)24(23)31-33(10,11)26(4,5)6/h12-16,20,22-24H,17-18H2,1-11H3/t20-,22+,23+,24+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)CS(=O)(=O)C4=CC=C(C=C4)Cl)C)[C@H](C)C(=O)N5CC[NH+](CC5)C)O
InChI: InChI=1S/C28H38ClN3O4S2/c1-17(27(34)32-13-11-31(4)12-14-32)21-9-10-28(3)15-22-25(18(2)24(28)26(21)33)30-23(37-22)16-38(35,36)20-7-5-19(29)6-8-20/h5-8,17-18,21,24,26,33H,9-16H2,1-4H3/p+1/t17-,18-,21-,24+,26-,28-/m0/s1
SMILES: CC[C@]1([C@H](C1(C(=O)OCC)C(=O)OCC)C(C)C)C(=O)C2=CC=C(C=C2)C
InChI: InChI=1S/C22H30O5/c1-7-21(18(23)16-12-10-15(6)11-13-16)17(14(4)5)22(21,19(24)26-8-2)20(25)27-9-3/h10-14,17H,7-9H2,1-6H3/t17-,21+/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C(=C6)OC)O)OC)Cl)C)Cl
InChI: InChI=1S/C31H30Cl2N2O7/c1-5-15-6-8-17(9-7-15)35-26(37)19-11-10-18-20(23(19)27(35)38)14-30(32)28(39)34(2)29(40)31(30,33)24(18)16-12-21(41-3)25(36)22(13-16)42-4/h6-10,12-13,19-20,23-24,36H,5,11,14H2,1-4H3/t19-,20+,23-,24-,30+,31-/m0/s1
SMILES: CCC(=O)[C@](C)([C@H]1[C@H]([C@H](O[C@H](O1)C2=CC=C(C=C2)OC)[C@@H](C)C(=O)N3[C@@H](COC3=O)CC4=CC=CC=C4)C)OCC5=CC=CC=C5
InChI: InChI=1S/C37H43NO8/c1-6-31(39)37(4,44-22-27-15-11-8-12-16-27)33-24(2)32(45-35(46-33)28-17-19-30(42-5)20-18-28)25(3)34(40)38-29(23-43-36(38)41)21-26-13-9-7-10-14-26/h7-20,24-25,29,32-33,35H,6,21-23H2,1-5H3/t24-,25+,29+,32-,33+,35+,37+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H26O11/c1-9(19)25-8-14-17(27-11(3)21)18(28-12(4)22)16(26-10(2)20)13(29-14)6-7-15(23)24-5/h13-14,16-18H,6-8H2,1-5H3/t13-,14-,16-,17-,18-/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)[C@H](CC4=C3C=CC(=C4)O)O
InChI: InChI=1S/C18H24O3/c1-18-7-6-13-12-3-2-11(19)8-10(12)9-15(20)17(13)14(18)4-5-16(18)21/h2-3,8,13-17,19-21H,4-7,9H2,1H3/t13?,14?,15-,16-,17?,18-/m0/s1
SMILES: CCN1C[C@]2([C@H]3C[C@@]4(C1C3(C5CC6[C@H](CC4([C@]5(C6OC)O)O)OC)C(CC2O)O)O)O
InChI: InChI=1S/C22H35NO8/c1-4-23-9-18(26)13-8-19(27)17(23)21(13,15(25)6-14(18)24)12-5-10-11(30-2)7-20(19,28)22(12,29)16(10)31-3/h10-17,24-29H,4-9H2,1-3H3/t10?,11-,12?,13+,14?,15?,16?,17?,18+,19-,20?,21?,22-/m0/s1
SMILES: CC/C=C/C(CC)C/C=C/[C@]1(C[C@@H]([C@H](OO1)CC(=O)O)CC)CC
InChI: InChI=1S/C20H34O4/c1-5-9-11-16(6-2)12-10-13-20(8-4)15-17(7-3)18(23-24-20)14-19(21)22/h9-11,13,16-18H,5-8,12,14-15H2,1-4H3,(H,21,22)/b11-9+,13-10+/t16?,17-,18+,20-/m0/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC=C5OC)O)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl
InChI: InChI=1S/C37H33Cl2F3N4O6/c1-35(2,3)45-31(48)21-13-12-20-22(27(21)33(45)50)15-23-32(49)46(44-30-24(39)14-18(16-43-30)37(40,41)42)34(51)36(23,17-8-10-19(38)11-9-17)29(20)28-25(47)6-5-7-26(28)52-4/h5-12,14,16,21-23,27,29,47H,13,15H2,1-4H3,(H,43,44)/t21-,22+,23-,27-,29+,36+/m0/s1
SMILES: CCCCCCCN1CC[C@H]([C@H](C1)CCC#N)CCCC2=C3C=C(C=CC3=NC=C2)OC
InChI: InChI=1S/C28H41N3O/c1-3-4-5-6-7-19-31-20-16-23(25(22-31)12-9-17-29)10-8-11-24-15-18-30-28-14-13-26(32-2)21-27(24)28/h13-15,18,21,23,25H,3-12,16,19-20,22H2,1-2H3/t23-,25+/m1/s1
SMILES: CC1(O[C@@H]([C@@H](O1)/C=C/C[C@H](CCOCC2=CC=CC=C2)C(=O)OC)CN=[N+]=[N-])C
InChI: InChI=1S/C21H29N3O5/c1-21(2)28-18(19(29-21)14-23-24-22)11-7-10-17(20(25)26-3)12-13-27-15-16-8-5-4-6-9-16/h4-9,11,17-19H,10,12-15H2,1-3H3/b11-7+/t17-,18+,19-/m1/s1
SMILES: CC1(CC(CC([NH2+]1)(C)C)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C
InChI: InChI=1S/C17H30N2O3/c1-16(2)9-11(10-17(3,4)19-16)18-14(20)12-7-5-6-8-13(12)15(21)22/h11-13,19H,5-10H2,1-4H3,(H,18,20)(H,21,22)/t12-,13+/m0/s1