EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SCC3=CSC4=NC5=C(N34)C=CC(=C5)C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C21H21N3O4S2/c1-9-4-5-14-13(6-9)22-21-23(14)12(8-30-21)7-29-18-10(2)16-15(11(3)25)19(26)24(16)17(18)20(27)28/h4-6,8,10-11,15-16,25H,7H2,1-3H3,(H,27,28)/t10-,11-,15-,16-/m1/s1
SMILES: CC1(O[C@H]([C@H](O1)[C@@H](COC2=CC=CC(=C2)CCCCN=C(N)NC(=O)C3=C(N=C(C(=N3)Cl)N)N)O)CO)C
InChI: InChI=1S/C24H34ClN7O6/c1-24(2)37-16(11-33)18(38-24)15(34)12-36-14-8-5-7-13(10-14)6-3-4-9-29-23(28)32-22(35)17-20(26)31-21(27)19(25)30-17/h5,7-8,10,15-16,18,33-34H,3-4,6,9,11-12H2,1-2H3,(H4,26,27,31)(H3,28,29,32,35)/t15-,16+,18-/m1/s1
SMILES: CCCOC1=C(C=C(C=C1)[C@H]2[C@@H]3C(=O)CC(C=C3NC4=CC=CC=C4N2)(C)C)OC
InChI: InChI=1S/C25H30N2O3/c1-5-12-30-21-11-10-16(13-22(21)29-4)24-23-19(14-25(2,3)15-20(23)28)26-17-8-6-7-9-18(17)27-24/h6-11,13-14,23-24,26-27H,5,12,15H2,1-4H3/t23-,24-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H](C[C@](C[C@H]1OCOCC2=CC=CC=C2)(C(=O)OC)O[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H56O8Si2/c1-24(33)39-28-26(18-19-38-41(9,10)30(2,3)4)20-32(29(34)35-8,40-42(11,12)31(5,6)7)21-27(28)37-23-36-22-25-16-14-13-15-17-25/h13-17,26-28H,18-23H2,1-12H3/t26-,27-,28-,32+/m1/s1
SMILES: [C@H]1(C2[C@H]([C@@]34[C@@H](C(O2)(OC1C3[C@H](N=C(N4)N)O)O)O)O)O
InChI: InChI=1S/C10H15N3O7/c11-8-12-6(16)1-3-2(14)4-5(15)9(1,13-8)7(17)10(18,19-3)20-4/h1-7,14-18H,(H3,11,12,13)/t1?,2-,3?,4?,5+,6+,7-,9+,10?/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)C4=NC5=CC=CC=C5N=C4)CSC6=NC7=CC=CC=C7S6
InChI: InChI=1S/C36H32N4O4S2/c1-22-31(21-45-36-40-29-8-4-5-9-32(29)46-36)43-35(44-33(22)25-14-12-24(20-41)13-15-25)26-16-10-23(11-17-26)18-38-34(42)30-19-37-27-6-2-3-7-28(27)39-30/h2-17,19,22,31,33,35,41H,18,20-21H2,1H3,(H,38,42)/t22-,31+,33+,35+/m1/s1
SMILES: CN1C(=O)N2[C@H]3C[C@H]([C@H](C3)N2C1=O)COS(=O)(=O)C
InChI: InChI=1S/C10H15N3O5S/c1-11-9(14)12-7-3-6(5-18-19(2,16)17)8(4-7)13(12)10(11)15/h6-8H,3-5H2,1-2H3/t6-,7-,8-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)CCCCC=C)O)O)OC(=O)C6=CC=CC=C6CC=C)(CO4)OC(=O)C)O)C)O
InChI: InChI=1S/C48H59NO13/c1-8-10-11-15-23-35(52)49-37(30-20-13-12-14-21-30)39(54)44(57)60-32-25-48(58)42(61-43(56)31-22-17-16-19-29(31)18-9-2)40-46(7,41(55)38(53)36(27(32)3)45(48,5)6)33(51)24-34-47(40,26-59-34)62-28(4)50/h8-9,12-14,16-17,19-22,32-34,37-40,42,51,53-54,58H,1-2,10-11,15,18,23-26H2,3-7H3,(H,49,52)/t32-,33-,34+,37-,38+,39+,40?,42-,46+,47-,48+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C[C@H]([C@H](C[Se]C3=CC=CC=C3[N+](=O)[O-])[C@@H]4[C@@H]([C@H](CO4)O)OCOC)O)O)C
InChI: InChI=1S/C23H33NO11Se/c1-23(2)34-21-18(27)16(33-22(21)35-23)8-14(25)12(19-20(32-11-30-3)15(26)9-31-19)10-36-17-7-5-4-6-13(17)24(28)29/h4-7,12,14-16,18-22,25-27H,8-11H2,1-3H3/t12-,14+,15-,16+,18-,19+,20+,21+,22+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@](C2=C(O1)C=C(C(=C2)Cl)C)(C3=CC=C(C=C3)C)O
InChI: InChI=1S/C19H19ClO4/c1-4-23-18(21)17-19(22,13-7-5-11(2)6-8-13)14-10-15(20)12(3)9-16(14)24-17/h5-10,17,22H,4H2,1-3H3/t17-,19+/m0/s1
SMILES: CC(C)N(C[C@@H]1CNC[C@H]1CN(C2CC2)C(=O)CCC3=CC=CO3)C(=O)C4=CC(=C(C=C4)OC)OCCCOC
InChI: InChI=1S/C31H45N3O6/c1-22(2)33(31(36)23-8-12-28(38-4)29(17-23)40-16-6-14-37-3)20-24-18-32-19-25(24)21-34(26-9-10-26)30(35)13-11-27-7-5-15-39-27/h5,7-8,12,15,17,22,24-26,32H,6,9-11,13-14,16,18-21H2,1-4H3/t24-,25-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2COC(=O)CCCCOC(=O)[C@@H]([C@@H](NC2=O)CC3CCCCC3)O
InChI: InChI=1S/C32H47N3O9/c1-32(2,3)44-31(41)35-24(19-22-14-8-5-9-15-22)28(38)34-25-20-43-26(36)16-10-11-17-42-30(40)27(37)23(33-29(25)39)18-21-12-6-4-7-13-21/h5,8-9,14-15,21,23-25,27,37H,4,6-7,10-13,16-20H2,1-3H3,(H,33,39)(H,34,38)(H,35,41)/t23-,24-,25-,27+/m0/s1
SMILES: C[Si](C)(C)O[C@@]1(C[C@H]2[C@@]1(OC(=O)C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H22O4Si/c1-26(2,3)25-20(15-10-6-4-7-11-15)14-17-18(22)19(23)24-21(17,20)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3/t17-,20+,21+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCC2CO2)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H24O11/c1-8(18)22-7-13-14(25-9(2)19)15(26-10(3)20)16(27-11(4)21)17(28-13)24-6-12-5-23-12/h12-17H,5-7H2,1-4H3/t12?,13-,14+,15+,16-,17-/m1/s1
SMILES: C1[C@H]([C@H]2[C@@H](C=C1C(=O)NCCC(=O)NCCO)OC3(O2)CC4=CC=CC=C4C3)OC(=O)C5=CC=CC(=C5)C=CC(=O)OCC(F)(F)F
InChI: InChI=1S/C33H33F3N2O9/c34-33(35,36)19-44-28(41)9-8-20-4-3-7-21(14-20)31(43)45-25-15-24(30(42)38-11-10-27(40)37-12-13-39)16-26-29(25)47-32(46-26)17-22-5-1-2-6-23(22)18-32/h1-9,14,16,25-26,29,39H,10-13,15,17-19H2,(H,37,40)(H,38,42)/t25-,26-,29+/m1/s1
SMILES: C[C@H](CCCC[C@@H]1[C@H](C(=O)O1)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)CC(=O)C
InChI: InChI=1S/C29H40O4Si/c1-22(20-23(2)30)14-12-13-19-27-26(28(31)33-27)21-32-34(29(3,4)5,24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-11,15-18,22,26-27H,12-14,19-21H2,1-5H3/t22-,26-,27-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC4=C3N=C(N=C4OC)N)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C21H34N4O5Si/c1-20(2,3)31(7,8)27-11-13-14-15(30-21(4,5)29-14)18(28-13)25-10-9-12-16(25)23-19(22)24-17(12)26-6/h9-10,13-15,18H,11H2,1-8H3,(H2,22,23,24)/t13-,14-,15-,18-/m1/s1
SMILES: COC(=O)[C@@]12C[C@H]3C[C@@H]([C@@H]1N(C3)CCC4=C2NC5=CC=CC=C45)CCOCC6=CC=CC=C6
InChI: InChI=1S/C28H32N2O3/c1-32-27(31)28-16-20-15-21(12-14-33-18-19-7-3-2-4-8-19)26(28)30(17-20)13-11-23-22-9-5-6-10-24(22)29-25(23)28/h2-10,20-21,26,29H,11-18H2,1H3/t20-,21+,26+,28-/m1/s1
SMILES: C1=CN(C=C([C@@H]1C(=O)C2=CC=NC=C2)C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)OP(=O)(O)O)O)O)O
InChI: InChI=1S/C27H33N8O18P3/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(52-54(41,42)43)20(38)16(51-27)9-49-56(46,47)53-55(44,45)48-8-15-19(37)21(39)26(50-15)34-6-3-13(14(7-34)24(29)40)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-39H,8-9H2,(H2,29,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t13-,15-,16-,19-,20-,21-,22-,26-,27-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC2=CC(=C(C=C2)C(=O)COC3=CC=C(C=C3)F)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H29FO13/c1-14(30)36-13-24-25(38-15(2)31)26(39-16(3)32)27(40-17(4)33)28(42-24)41-20-9-10-21(22(34)11-20)23(35)12-37-19-7-5-18(29)6-8-19/h5-11,24-28,34H,12-13H2,1-4H3/t24-,25-,26+,27+,28-/m1/s1
SMILES: C[C@H]1[C@@H]2CC[C@]3([C@@H](C[C@@H]4[C@]([C@@H]3[C@H]2OC1=O)(O4)C)O)C
InChI: InChI=1S/C15H22O4/c1-7-8-4-5-14(2)9(16)6-10-15(3,19-10)12(14)11(8)18-13(7)17/h7-12,16H,4-6H2,1-3H3/t7-,8-,9+,10+,11-,12+,14-,15+/m0/s1
SMILES: CC1(O[C@H]2[C@@H]([C@H](N(C([C@H]2O1)(C3=CC=CC=C3OCC4=CC=CC=C4)O)C(=O)OCC5=CC=CC=C5)CO)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C36H47NO8Si/c1-34(2,3)46(6,7)45-30-28(22-38)37(33(39)42-24-26-18-12-9-13-19-26)36(40,32-31(30)43-35(4,5)44-32)27-20-14-15-21-29(27)41-23-25-16-10-8-11-17-25/h8-21,28,30-32,38,40H,22-24H2,1-7H3/t28-,30-,31+,32+,36?/m1/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2[C@H]3CCCC[C@@]3(CCN2C(=O)C4=CC(=CC=C4)F)O)OC
InChI: InChI=1S/C24H28FNO4/c1-29-18-9-10-19(21(15-18)30-2)22-20-8-3-4-11-24(20,28)12-13-26(22)23(27)16-6-5-7-17(25)14-16/h5-7,9-10,14-15,20,22,28H,3-4,8,11-13H2,1-2H3/t20-,22+,24+/m1/s1
SMILES: C[C@@]12C[C@@H](C[C@H]1OC(=O)C3=CC=CC=C3C(=O)[O-])C(C2)(C)C
InChI: InChI=1S/C18H22O4/c1-17(2)10-18(3)9-11(17)8-14(18)22-16(21)13-7-5-4-6-12(13)15(19)20/h4-7,11,14H,8-10H2,1-3H3,(H,19,20)/p-1/t11-,14-,18+/m1/s1
SMILES: C1CCN(CC1)C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2[Sn](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C13H20NO.3C6H5.Sn/c15-13(14-6-2-1-3-7-14)12-9-10-4-5-11(12)8-10;3*1-2-4-6-5-3-1;/h9-12H,1-8H2;3*1-5H;/t10-,11+,12-;;;;/m0..../s1
SMILES: C[C@H]1CCCC[C@H]1NC[C@@H](COCC2=CC(=C(C=C2)OC)OC)O
InChI: InChI=1S/C19H31NO4/c1-14-6-4-5-7-17(14)20-11-16(21)13-24-12-15-8-9-18(22-2)19(10-15)23-3/h8-10,14,16-17,20-21H,4-7,11-13H2,1-3H3/t14-,16-,17+/m0/s1
SMILES: CC(=O)C1=C[C@H]2[C@H]3CC(=O)O[C@H]3[C@@H]1C(C2=O)(OC)OC
InChI: InChI=1S/C14H16O6/c1-6(15)7-4-9-8-5-10(16)20-12(8)11(7)14(18-2,19-3)13(9)17/h4,8-9,11-12H,5H2,1-3H3/t8-,9+,11-,12-/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC3=C(C(=O)C=C(C3=O)O)O)(C)C
InChI: InChI=1S/C21H28O4/c1-12-6-7-17-20(2,3)8-5-9-21(17,4)14(12)10-13-18(24)15(22)11-16(23)19(13)25/h11,14,17,22,25H,1,5-10H2,2-4H3/t14-,17-,21+/m0/s1
SMILES: C[C@]1(C(=O)N(C2=NC=C(N21)S(=O)(=O)N3CCC[C@H]3C(=O)N[C@H]4CCCC[C@@H]4C(=O)O)C5=CC(=CC(=C5)Cl)Cl)CC6=CC=C(C=C6)C7=CN=CN=C7
InChI: InChI=1S/C35H35Cl2N7O6S/c1-35(16-21-8-10-22(11-9-21)23-17-38-20-39-18-23)33(48)43(26-14-24(36)13-25(37)15-26)34-40-19-30(44(34)35)51(49,50)42-12-4-7-29(42)31(45)41-28-6-3-2-5-27(28)32(46)47/h8-11,13-15,17-20,27-29H,2-7,12,16H2,1H3,(H,41,45)(H,46,47)/t27-,28-,29-,35+/m0/s1
SMILES: CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=S)N[C@@H]3CCCC[C@@H]3C
InChI: InChI=1S/C22H34N4OS/c1-3-18-9-5-7-11-20(18)23-21(27)16-25-12-14-26(15-13-25)22(28)24-19-10-6-4-8-17(19)2/h5,7,9,11,17,19H,3-4,6,8,10,12-16H2,1-2H3,(H,23,27)(H,24,28)/t17-,19+/m0/s1
SMILES: C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)O
InChI: InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17+,18+,19-,21+/m0/s1
SMILES: CC(C)(C)NC(=O)C1=CC=C([C@H]2[C@@H]1[C@@H]2C3=CC=CC=C3)OC
InChI: InChI=1S/C19H23NO2/c1-19(2,3)20-18(21)13-10-11-14(22-4)17-15(16(13)17)12-8-6-5-7-9-12/h5-11,15-17H,1-4H3,(H,20,21)/t15-,16-,17+/m0/s1
SMILES: COC(=O)[C@@H]1[C@H](OC(=O)N1C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5)C(=O)OC
InChI: InChI=1S/C26H21NO6/c1-31-23(28)21-22(24(29)32-2)33-25(30)27(21)26(16-10-4-3-5-11-16)19-14-8-6-12-17(19)18-13-7-9-15-20(18)26/h3-15,21-22H,1-2H3/t21-,22-/m0/s1
SMILES: C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=C(C=C5)OC6=CC=CC=C6
InChI: InChI=1S/C23H19NO3/c25-22-20-16-10-11-17(19-12-18(16)19)21(20)23(26)24(22)13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-11,16-21H,12H2/t16-,17+,18+,19-,20+,21-
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)NCCCCCC(=O)NCCNC(=O)/C=C/N3C=C(C(=O)NC3=O)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)N2
InChI: InChI=1S/C29H43N7O10S/c37-14-18-24(41)25(42)26(46-18)16-13-36(29(45)35-27(16)43)12-8-22(40)32-11-10-31-20(38)6-2-1-3-9-30-21(39)7-4-5-19-23-17(15-47-19)33-28(44)34-23/h8,12-13,17-19,23-26,37,41-42H,1-7,9-11,14-15H2,(H,30,39)(H,31,38)(H,32,40)(H2,33,34,44)(H,35,43,45)/b12-8+/t17-,18+,19-,23-,24+,25+,26-/m0/s1
SMILES: CC1=C(C[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=C(C=C(C=C3)C)Br)C
InChI: InChI=1S/C17H18BrNO2/c1-9-4-5-15(14(18)6-9)19-16(20)12-7-10(2)11(3)8-13(12)17(19)21/h4-6,12-13H,7-8H2,1-3H3/t12-,13+
SMILES: C[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3)O
InChI: InChI=1S/C16H22O5/c1-10(17)12-13(18-9-11-7-5-4-6-8-11)14-15(19-12)21-16(2,3)20-14/h4-8,10,12-15,17H,9H2,1-3H3/t10-,12-,13+,14-,15-/m1/s1
SMILES: CCOC(=O)[C@@H]1C(=O)N[C@@H]2[C@]13CCCC[C@@H]3OC4=CC=CC=C24
InChI: InChI=1S/C18H21NO4/c1-2-22-17(21)14-16(20)19-15-11-7-3-4-8-12(11)23-13-9-5-6-10-18(13,14)15/h3-4,7-8,13-15H,2,5-6,9-10H2,1H3,(H,19,20)/t13-,14-,15-,18-/m0/s1
SMILES: CCCCCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C18H23ClN2O3/c1-3-4-5-6-11-24-17(22)15-12(2)20-18(23)21-16(15)13-7-9-14(19)10-8-13/h7-10,15-16H,2-6,11H2,1H3,(H2,20,21,23)/t15-,16+/m1/s1
SMILES: C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1
SMILES: [2H]C1(C(OC2(O1)C(=O)C3=C(C(=O)C2(CN(C)C)[Se]C4=CC=CC=C4)N5C[C@H]6[C@@H]([C@@]5([C@@H]3COC(=O)N)OC)N6C(=O)C)([2H])[2H])[2H]
InChI: InChI=1S/C27H32N4O8Se/c1-15(32)31-18-12-30-20-19(17(13-37-24(28)35)26(30,36-4)21(18)31)22(33)27(38-10-11-39-27)25(23(20)34,14-29(2)3)40-16-8-6-5-7-9-16/h5-9,17-18,21H,10-14H2,1-4H3,(H2,28,35)/t17-,18+,21+,25?,26-,31?/m1/s1/i10D2,11D2
SMILES: CCOC(=O)[C@@H]1[C@H](NC(=S)N[C@@]1(C(F)(F)F)O)C2=CC=C(C=C2)OC
InChI: InChI=1S/C15H17F3N2O4S/c1-3-24-12(21)10-11(8-4-6-9(23-2)7-5-8)19-13(25)20-14(10,22)15(16,17)18/h4-7,10-11,22H,3H2,1-2H3,(H2,19,20,25)/t10-,11+,14+/m0/s1
SMILES: C[C@@H]1C[C@H]([C@@H]2[C@H]([C@@H]1C=C)C(=O)CC2(C)C)O
InChI: InChI=1S/C14H22O2/c1-5-9-8(2)6-10(15)13-12(9)11(16)7-14(13,3)4/h5,8-10,12-13,15H,1,6-7H2,2-4H3/t8-,9-,10-,12-,13-/m1/s1
SMILES: C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)C5=CC(=CC=C5)OCC(=O)C6=CC=CC=C6
InChI: InChI=1S/C25H21NO4/c27-21(14-5-2-1-3-6-14)13-30-16-8-4-7-15(11-16)26-24(28)22-17-9-10-18(20-12-19(17)20)23(22)25(26)29/h1-11,17-20,22-23H,12-13H2/t17-,18+,19+,20-,22-,23+
SMILES: C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3)F)OC)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C27H19F10NO3/c1-13-23(14-7-17(26(32,33)34)10-18(8-14)27(35,36)37)41-24(39)38(13)12-15-9-16(25(29,30)31)3-5-20(15)21-6-4-19(28)11-22(21)40-2/h3-11,13,23H,12H2,1-2H3/t13-,23-/m0/s1
SMILES: C/C=C(\C)/C1=CC([C@H]2[C@@H]1C=C[C@@H](C2)OC(=O)C)(C(=O)OC)C(=O)OC
InChI: InChI=1S/C19H24O6/c1-6-11(2)15-10-19(17(21)23-4,18(22)24-5)16-9-13(25-12(3)20)7-8-14(15)16/h6-8,10,13-14,16H,9H2,1-5H3/b11-6+/t13-,14+,16+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H]3CCCC[C@@]3(CCN2CC4=CC(=CC=C4)F)O
InChI: InChI=1S/C23H28FNO2/c1-27-20-10-8-18(9-11-20)22-21-7-2-3-12-23(21,26)13-14-25(22)16-17-5-4-6-19(24)15-17/h4-6,8-11,15,21-22,26H,2-3,7,12-14,16H2,1H3/t21-,22+,23-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3CC[C@H]4CC(=O)[C@]4(C3)CC(=C)Br
InChI: InChI=1S/C27H33BrO2Si/c1-20(28)18-27-19-22(16-15-21(27)17-25(27)29)30-31(26(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22H,1,15-19H2,2-4H3/t21-,22-,27-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
InChI: InChI=1S/C50H99NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-61-50-48(57)49(63-64(58,59)60)47(56)44(40-52)62-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-57H,3-41H2,1-2H3,(H,51,54)(H,58,59,60)/t42-,43+,44+,46-,47-,48+,49-,50+/m0/s1
SMILES: CCC1=CC2=C(S1)CN[C@@H]3[C@@H]2C4=CC(=C(C=C4CC3)OC)OC
InChI: InChI=1S/C19H23NO2S/c1-4-12-8-14-18(23-12)10-20-15-6-5-11-7-16(21-2)17(22-3)9-13(11)19(14)15/h7-9,15,19-20H,4-6,10H2,1-3H3/t15-,19+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)C2[C@@H]([C@@H](C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)CO)OC
InChI: InChI=1S/C33H36N2O8/c1-21-18-35(32(38)34-30(21)37)31-29(41-4)27(19-36)28(43-31)20-42-33(22-8-6-5-7-9-22,23-10-14-25(39-2)15-11-23)24-12-16-26(40-3)17-13-24/h5-18,27-29,31,36H,19-20H2,1-4H3,(H,34,37,38)/t27-,28?,29-,31?/m1/s1
SMILES: CC(C)CC(=O)NCCC(C)(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C35H49N3O10S/c1-23(2)16-32(40)36-14-13-35(3,4)21-38(49(42,43)25-10-11-29-30(18-25)47-22-46-29)19-28(39)27(17-24-8-6-5-7-9-24)37-34(41)48-31-20-45-33-26(31)12-15-44-33/h5-11,18,23,26-28,31,33,39H,12-17,19-22H2,1-4H3,(H,36,40)(H,37,41)/t26-,27-,28+,31-,33+/m0/s1
SMILES: CCOC(=O)C1=NN([C@H]2[C@H]1C(=O)N(C2=O)C3=CC(=CC=C3)OC)N=O
InChI: InChI=1S/C15H14N4O6/c1-3-25-15(22)11-10-12(19(16-11)17-23)14(21)18(13(10)20)8-5-4-6-9(7-8)24-2/h4-7,10,12H,3H2,1-2H3/t10-,12-/m0/s1
SMILES: CCC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CNC(=O)C3C4=CC=CC=C4OC5=C(C=CC=C35)C6=CC=CC=C6)O)F
InChI: InChI=1S/C31H28FN3O6/c1-2-17-16-35(31(39)34-28(17)37)30-25(32)26(36)23(41-30)15-33-29(38)24-20-11-6-7-14-22(20)40-27-19(12-8-13-21(24)27)18-9-4-3-5-10-18/h3-14,16,23-26,30,36H,2,15H2,1H3,(H,33,38)(H,34,37,39)/t23-,24?,25+,26-,30-/m1/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)OCC6=CC=CC=C6F)CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)C=CC8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C57H59F2N3O9/c1-2-32-69-57-53(61(36-40-18-23-44(58)24-19-40)54(65)29-22-39-20-25-45(26-21-39)62(66)67)35-51(60-70-37-41-12-4-3-5-13-41)48-33-42(14-8-10-30-63)47(16-9-11-31-64)55(56(48)57)49-34-46(27-28-52(49)71-57)68-38-43-15-6-7-17-50(43)59/h2-7,12-13,15,17-29,33-34,42,47,53,55-56,63-64H,1,8-11,14,16,30-32,35-38H2/t42-,47+,53-,55+,56+,57+/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)CC1=O)OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C45H46O9/c1-27-34(47)26-33-39(51-29(3)46)38-28(2)35(52-36(48)23-22-30-16-10-7-11-17-30)24-25-45(38,6)41(54-43(50)32-20-14-9-15-21-32)40(37(27)44(33,4)5)53-42(49)31-18-12-8-13-19-31/h7-23,33,35,38-41H,2,24-26H2,1,3-6H3/b23-22+/t33-,35-,38-,39+,40+,41-,45+/m0/s1
SMILES: CN(CC=C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2CN3C=C(N=N3)COC
InChI: InChI=1S/C17H27N5O2/c1-4-6-20(2)17(23)16-11-21-7-5-13(16)8-15(21)10-22-9-14(12-24-3)18-19-22/h4,9,13,15-16H,1,5-8,10-12H2,2-3H3/t13-,15-,16+/m1/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(=CC=C5)Br
InChI: InChI=1S/C23H15BrCl2N2O3/c24-14-6-4-5-13(11-14)20-19-21(31-28(20)16-7-2-1-3-8-16)23(30)27(22(19)29)18-10-9-15(25)12-17(18)26/h1-12,19-21H/t19-,20+,21+/m0/s1
SMILES: C[C@H]1[C@@H](N([C@@H](CC1=O)C2=CC=CC=C2Br)CC=C)[C@@H](C=C)OC
InChI: InChI=1S/C19H24BrNO2/c1-5-11-21-16(14-9-7-8-10-15(14)20)12-17(22)13(3)19(21)18(6-2)23-4/h5-10,13,16,18-19H,1-2,11-12H2,3-4H3/t13-,16+,18-,19-/m1/s1
SMILES: C1[C@@H](C=C2[C@H](C1=O)[C@H](NC(=O)N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H18N2O2/c23-17-12-15(13-7-3-1-4-8-13)11-16-18(17)19(22-20(24)21-16)14-9-5-2-6-10-14/h1-11,15,18-19H,12H2,(H2,21,22,24)/t15-,18-,19-/m1/s1
SMILES: CCOC(=O)[C@H]1C=C(O[C@H]2[C@@]1(C(=O)N(C(=O)N2C)C)C)C#N
InChI: InChI=1S/C14H17N3O5/c1-5-21-10(18)9-6-8(7-15)22-12-14(9,2)11(19)16(3)13(20)17(12)4/h6,9,12H,5H2,1-4H3/t9-,12+,14+/m1/s1
SMILES: CC1=CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC(=CC(=C4)C)C
InChI: InChI=1S/C24H24N2O3/c1-14-4-9-20-21(13-14)24(29)26(23(20)28)19-7-5-17(6-8-19)22(27)25-18-11-15(2)10-16(3)12-18/h4-8,10-12,20-21H,9,13H2,1-3H3,(H,25,27)/t20-,21-/m0/s1
SMILES: CC1=CC=CC=C1CN2[C@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)OC)N=N2
InChI: InChI=1S/C19H18N4O3/c1-12-5-3-4-6-13(12)11-22-17-16(20-21-22)18(24)23(19(17)25)14-7-9-15(26-2)10-8-14/h3-10,16-17H,11H2,1-2H3/t16-,17+/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)OC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C30H27NO4/c1-30(2,3)17-12-14-18(15-13-17)35-23(32)16-31-28(33)26-24-19-8-4-5-9-20(19)25(27(26)29(31)34)22-11-7-6-10-21(22)24/h4-15,24-27H,16H2,1-3H3/t24?,25?,26-,27+
SMILES: C1CC[C@H]([C@@H](C1)C(=O)N2CCC[C@H](C2)CC3=CC=C(C=C3)F)NC(=O)NC4=CC(=CC(=C4)N5C=CN=C5)N6C=CN=C6
InChI: InChI=1S/C32H36FN7O2/c33-25-9-7-23(8-10-25)16-24-4-3-13-38(20-24)31(41)29-5-1-2-6-30(29)37-32(42)36-26-17-27(39-14-11-34-21-39)19-28(18-26)40-15-12-35-22-40/h7-12,14-15,17-19,21-22,24,29-30H,1-6,13,16,20H2,(H2,36,37,42)/t24-,29+,30+/m0/s1
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CCC5[C@@]3(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C
InChI: InChI=1S/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16?,17-,18+,19?,20?,21+,23+,24-,25+,26+,27-,28+,29-/m0/s1
SMILES: CC1=CC=C(C=C1)CC[C@]2(CCCN3[C@@H]([C@@H]2O)[C@H](C3=O)OC)C(=O)C
InChI: InChI=1S/C20H27NO4/c1-13-5-7-15(8-6-13)9-11-20(14(2)22)10-4-12-21-16(18(20)23)17(25-3)19(21)24/h5-8,16-18,23H,4,9-12H2,1-3H3/t16-,17-,18+,20-/m1/s1
SMILES: C/C/1=C\CC[C@]2([C@@H](O2)[C@@H]3[C@@H]([C@@H](C1)O)C(=C)C(=O)O3)C
InChI: InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-11(10(16)7-8)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11-,12+,13+,15+/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@H]3C2=NN=C4[C@H]3[C@H]5CC[C@@]4(C5(C)C)C
InChI: InChI=1S/C20H30N2/c1-17(2)11-7-9-19(17,5)15-13(11)14-12-8-10-20(6,18(12,3)4)16(14)22-21-15/h11-14H,7-10H2,1-6H3/t11-,12-,13+,14+,19+,20+/m1/s1
SMILES: C[C@]1\2CCC[C@@H]([C@@H]1CC/C2=C/C3=CC(=CC=C3)C4(NN4)C(F)(F)F)O
InChI: InChI=1S/C19H23F3N2O/c1-17-9-3-6-16(25)15(17)8-7-13(17)10-12-4-2-5-14(11-12)18(23-24-18)19(20,21)22/h2,4-5,10-11,15-16,23-25H,3,6-9H2,1H3/b13-10-/t15-,16-,17+/m0/s1
SMILES: COC(=O)[C@@H]1[C@@H](C(=O)CC2([C@H]1[N+](=O)[O-])OCCO2)CC=C
InChI: InChI=1S/C13H17NO7/c1-3-4-8-9(15)7-13(20-5-6-21-13)11(14(17)18)10(8)12(16)19-2/h3,8,10-11H,1,4-7H2,2H3/t8-,10-,11+/m1/s1
SMILES: C1C[C@@H]([C@@H](C[C@H]1OCC2=CC=CC=C2)O)N3C=CC(=O)NC3=O
InChI: InChI=1S/C17H20N2O4/c20-15-10-13(23-11-12-4-2-1-3-5-12)6-7-14(15)19-9-8-16(21)18-17(19)22/h1-5,8-9,13-15,20H,6-7,10-11H2,(H,18,21,22)/t13-,14-,15+/m0/s1
SMILES: CC1=CC2=C(C=C1Br)NC(=C2N=NC(=O)C3[C@H]4[C@@H]3CCCC4)O
InChI: InChI=1S/C17H18BrN3O2/c1-8-6-11-13(7-12(8)18)19-17(23)15(11)20-21-16(22)14-9-4-2-3-5-10(9)14/h6-7,9-10,14,19,23H,2-5H2,1H3/t9-,10+,14?
SMILES: C[C@]1([C@@H](O1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H19NO2/c1-22(17-11-5-2-6-12-17)20(25-22)21(24)23(18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20H,1H3/t20-,22+/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OCC2CCCN2C(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChI: InChI=1S/C95H179N2O17P/c1-7-13-19-25-31-37-40-46-52-58-64-72-88(101)109-82(69-61-55-49-43-34-28-22-16-10-4)76-86(99)96-92-94(113-91(104)78-84(71-63-57-51-45-36-30-24-18-12-6)111-90(103)74-66-60-54-48-42-39-33-27-21-15-9-3)93(114-115(105,106)107)85(79-98)112-95(92)108-80-81-68-67-75-97(81)87(100)77-83(70-62-56-50-44-35-29-23-17-11-5)110-89(102)73-65-59-53-47-41-38-32-26-20-14-8-2/h81-85,92-95,98H,7-80H2,1-6H3,(H,96,99)(H2,105,106,107)/t81?,82?,83?,84?,85-,92-,93-,94-,95?/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC(=O)[C@]3(C)CCCSC4=CC=CC=C4)C
InChI: InChI=1S/C32H50OS/c1-23(2)11-9-12-24(3)27-16-17-28-26-15-18-30(33)32(5,29(26)19-21-31(27,28)4)20-10-22-34-25-13-7-6-8-14-25/h6-8,13-14,23-24,26-29H,9-12,15-22H2,1-5H3/t24-,26+,27-,28+,29+,31-,32-/m1/s1
SMILES: C[C@H]([C@H]1[C@@H](N(C1=O)C2=CC=C(C=C2)OC)CO)OC(=O)C
InChI: InChI=1S/C15H19NO5/c1-9(21-10(2)18)14-13(8-17)16(15(14)19)11-4-6-12(20-3)7-5-11/h4-7,9,13-14,17H,8H2,1-3H3/t9-,13+,14+/m1/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC(=CC=C4)Br)C5=CC(=CC=C5)Br
InChI: InChI=1S/C23H16Br2N2O3/c24-15-7-4-6-14(12-15)20-19-21(30-27(20)17-9-2-1-3-10-17)23(29)26(22(19)28)18-11-5-8-16(25)13-18/h1-13,19-21H/t19-,20+,21+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OCCCCCCCCN=[N+]=[N-])OC(=O)C
InChI: InChI=1S/C28H44N4O13/c1-17(33)31-24-22(42-19(3)35)15-28(27(38)39-6,41-14-12-10-8-7-9-11-13-30-32-29)45-26(24)25(44-21(5)37)23(43-20(4)36)16-40-18(2)34/h22-26H,7-16H2,1-6H3,(H,31,33)/t22-,23+,24+,25+,26+,28-/m0/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H](C3(O2)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@]6([C@H]5CC47C3(C7)C)C)C)N(C1)CCNC(=O)CCCCCNC(=O)CCC8=CC=CC=C8
InChI: InChI=1S/C45H65N3O4/c1-30-25-38-41(48(28-30)24-23-47-39(50)13-9-6-10-22-46-40(51)17-14-32-11-7-5-8-12-32)31(2)45(52-38)21-19-36-35-16-15-33-26-34(49)18-20-42(33,3)37(35)27-44(36)29-43(44,45)4/h5,7-8,11-12,26,30-31,35-38,41H,6,9-10,13-25,27-29H2,1-4H3,(H,46,51)(H,47,50)/t30-,31+,35-,36-,37-,38+,41-,42-,43?,44?,45?/m0/s1
SMILES: CCOC(=O)C[C@@H]1C[C@H]([C@@H]2[C@H]1OC3(O2)CCCCC3)O
InChI: InChI=1S/C15H24O5/c1-2-18-12(17)9-10-8-11(16)14-13(10)19-15(20-14)6-4-3-5-7-15/h10-11,13-14,16H,2-9H2,1H3/t10-,11+,13-,14+/m0/s1
SMILES: CCC1=C2C(=CC=C1)[C@]3([C@H]4[C@@H]([C@@H]([NH2+]3)[C@@H](C)O)C(=O)N(C4=O)C5CCCCCC5)C(=O)N2
InChI: InChI=1S/C24H31N3O4/c1-3-14-9-8-12-16-20(14)25-23(31)24(16)18-17(19(26-24)13(2)28)21(29)27(22(18)30)15-10-6-4-5-7-11-15/h8-9,12-13,15,17-19,26,28H,3-7,10-11H2,1-2H3,(H,25,31)/p+1/t13-,17+,18+,19+,24+/m1/s1
SMILES: CC(C)[C@@H](C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)[NH3+].C(=O)(C(F)(F)F)[O-]
InChI: InChI=1S/C11H21NO7.C2HF3O2/c1-4(2)6(12)10(16)18-3-5-7(13)8(14)9(15)11(17)19-5;3-2(4,5)1(6)7/h4-9,11,13-15,17H,3,12H2,1-2H3;(H,6,7)/t5-,6+,7+,8+,9-,11+;/m1./s1
SMILES: CCOCO[C@H]1[C@H](CCC=C1[C@@]2([C@H](CC[C@@H]([C@@H]2OCOCC)O[Si](C)(C)C(C)(C)C(C)C)O)O)O[Si](C)(C)C(C)(C)C(C)C
InChI: InChI=1S/C34H68O8Si2/c1-15-37-22-39-30-26(18-17-19-27(30)41-43(11,12)32(7,8)24(3)4)34(36)29(35)21-20-28(31(34)40-23-38-16-2)42-44(13,14)33(9,10)25(5)6/h18,24-25,27-31,35-36H,15-17,19-23H2,1-14H3/t27-,28-,29-,30+,31-,34-/m0/s1
SMILES: CCCCCC/C=C\CCCCC[C@H]1[C@H](OC(O1)(C)C)CCCCCCCC(=O)OC
InChI: InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-13-15-18-21-24-25(31-27(2,3)30-24)22-19-16-14-17-20-23-26(28)29-4/h10-11,24-25H,5-9,12-23H2,1-4H3/b11-10-/t24-,25+/m0/s1
SMILES: CC1=NOC(=C1C2=N[C@H]([C@@H](O2)C3=CC=CC=C3)COC)[C@H](C)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H24N2O4/c1-15(21(27)17-10-6-4-7-11-17)22-20(16(2)26-30-22)24-25-19(14-28-3)23(29-24)18-12-8-5-9-13-18/h4-13,15,19,23H,14H2,1-3H3/t15-,19+,23+/m1/s1