EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)C(=O)N(C3=O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C38H26F12N2O7/c1-58-25-5-14(6-26(59-2)30(25)53)27-21-3-4-22-28(33(56)51(31(22)54)19-9-15(35(39,40)41)7-16(10-19)36(42,43)44)23(21)13-24-29(27)34(57)52(32(24)55)20-11-17(37(45,46)47)8-18(12-20)38(48,49)50/h3,5-12,22-24,27-29,53H,4,13H2,1-2H3/t22-,23+,24+,27-,28-,29+/m0/s1
SMILES: CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H](C(C)(C)C)N)C(=O)N4CCCC4
InChI: InChI=1S/C40H55N5O8/c1-26(2)22-31(39(51)53-25-28-16-10-7-11-17-28)43-35(47)30(23-32(46)52-24-27-14-8-6-9-15-27)42-36(48)33-29(37(49)44-19-12-13-20-44)18-21-45(33)38(50)34(41)40(3,4)5/h6-11,14-17,26,29-31,33-34H,12-13,18-25,41H2,1-5H3,(H,42,48)(H,43,47)/t29-,30+,31+,33+,34-/m1/s1
SMILES: CC(C)[C@@H](C(=O)N1CC[C@H]2CCCC[C@H]2C1)NC(=O)CC3=CC=CC=C3
InChI: InChI=1S/C22H32N2O2/c1-16(2)21(23-20(25)14-17-8-4-3-5-9-17)22(26)24-13-12-18-10-6-7-11-19(18)15-24/h3-5,8-9,16,18-19,21H,6-7,10-15H2,1-2H3,(H,23,25)/t18-,19+,21+/m1/s1
SMILES: CC(C)[NH+]1CC=C2[C@@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CN=CC=C3
InChI: InChI=1S/C20H20N6/c1-13(2)26-7-5-15-16(8-21)19(24)20(11-22,12-23)18(17(15)10-26)14-4-3-6-25-9-14/h3-6,9,13,16-18,24H,7,10H2,1-2H3/p+1/t16?,17-,18-/m1/s1
SMILES: CN1CCC(CC1)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O.OS(=O)(=O)O
InChI: InChI=1S/C24H36N2O.H2O4S/c1-25-12-7-18(8-13-25)9-14-26-15-11-24-10-3-2-4-21(24)23(26)16-19-5-6-20(27)17-22(19)24;1-5(2,3)4/h5-6,17-18,21,23,27H,2-4,7-16H2,1H3;(H2,1,2,3,4)/t21-,23+,24+;/m0./s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H](C(=O)NC2=S)C=N[C@@H]3CCCC[C@@H]3N
InChI: InChI=1S/C18H22N4O2S/c1-11-6-8-12(9-7-11)22-17(24)13(16(23)21-18(22)25)10-20-15-5-3-2-4-14(15)19/h6-10,13-15H,2-5,19H2,1H3,(H,21,23,25)/t13-,14-,15+/m0/s1
SMILES: CN(C)C1=CC=[N+](C=C1)C2=NC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)CO)O)/N=C(/C(F)(F)F)\[O-]
InChI: InChI=1S/C19H20F3N7O4/c1-27(2)10-3-5-28(6-4-10)15-14-16(25-18(24-15)26-17(32)19(20,21)22)29(9-23-14)13-7-11(31)12(8-30)33-13/h3-6,9,11-13,30-31H,7-8H2,1-2H3/t11-,12+,13+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C/C(=C\C5=CC=C(C=C5)[N+](=O)[O-])/C4OC(=O)C)C)C
InChI: InChI=1S/C30H37NO6/c1-18(32)36-24-11-13-29(3)22(17-24)7-10-25-26(29)12-14-30(4)27(25)16-21(28(30)37-19(2)33)15-20-5-8-23(9-6-20)31(34)35/h5-9,15,24-28H,10-14,16-17H2,1-4H3/b21-15+/t24-,25+,26-,27-,28?,29-,30-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@@H](CC2=CC3=CC=CC=C3C=C12)OC(=O)C
InChI: InChI=1S/C17H17NO3/c1-10(19)18-17-15-8-13-6-4-3-5-12(13)7-14(15)9-16(17)21-11(2)20/h3-8,16-17H,9H2,1-2H3,(H,18,19)/t16-,17+/m1/s1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3C[C@@H]4[C@H](C3)C4C(=N)OC(C)(C)C(=O)O)F
InChI: InChI=1S/C22H27FN4O6/c1-11(28)25-7-13-8-27(21(31)32-13)12-4-5-17(16(23)6-12)26-9-14-15(10-26)18(14)19(24)33-22(2,3)20(29)30/h4-6,13-15,18,24H,7-10H2,1-3H3,(H,25,28)(H,29,30)/t13-,14-,15+,18?/m0/s1
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC[C@H]4[C@]([C@@]3(CC2)C)(CCC5[C@@]4(C=CC(=O)C5(C)C)C)C)(C)C(=O)O
InChI: InChI=1S/C30H44O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,11-12,20-22H,9-10,13-18H2,1-7H3,(H,32,33)/t20-,21?,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)(N[C@@H](CC3=CC=CC=C3)C(=O)OC)O)N=[N+]=[N-]
InChI: InChI=1S/C20H25N6O8P/c1-12-10-26(20(29)22-18(12)27)17-9-14(23-25-21)16(34-17)11-33-35(30,31)24-15(19(28)32-2)8-13-6-4-3-5-7-13/h3-7,10,14-17H,8-9,11H2,1-2H3,(H,22,27,29)(H2,24,30,31)/t14-,15-,16+,17+/m0/s1
SMILES: CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3CN(C[C@H]3O)CCO)N[C@@H]4C[C@H]4C5=CC=CC=C5
InChI: InChI=1S/C22H29N7O2S/c1-2-10-32-22-24-20(23-16-11-15(16)14-6-4-3-5-7-14)19-21(25-22)29(27-26-19)17-12-28(8-9-30)13-18(17)31/h3-7,15-18,30-31H,2,8-13H2,1H3,(H,23,24,25)/t15-,16+,17+,18+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2C[C@]23CCC[C@]4(C3=O)C[C@H]4C5=CC=C(C=C5)OC
InChI: InChI=1S/C24H26O3/c1-26-18-8-4-16(5-9-18)20-14-23(20)12-3-13-24(22(23)25)15-21(24)17-6-10-19(27-2)11-7-17/h4-11,20-21H,3,12-15H2,1-2H3/t20-,21+,23-,24+
SMILES: C=CCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/t5-,7+,8+,9-,10+/m1/s1
SMILES: COC1=C(C(=CC(=C1)[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)C8=CC(=CC=C8)[N+](=O)[O-])Cl)O
InChI: InChI=1S/C39H29Cl2N3O8/c1-52-31-16-20(15-30(41)34(31)45)33-26-13-14-27-32(37(48)42(35(27)46)24-11-6-12-25(18-24)44(50)51)28(26)19-29-36(47)43(23-10-5-9-22(40)17-23)38(49)39(29,33)21-7-3-2-4-8-21/h2-13,15-18,27-29,32-33,45H,14,19H2,1H3/t27-,28+,29-,32-,33-,39+/m0/s1
SMILES: CC1=C(C2=C(C=C1)[C@@]3([C@H]4[C@@H]([C@@H](N3)CC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5Cl)C(=O)N2)C
InChI: InChI=1S/C24H23ClN4O4/c1-11-7-8-14-20(12(11)2)27-23(33)24(14)19-18(16(28-24)9-17(26)30)21(31)29(22(19)32)10-13-5-3-4-6-15(13)25/h3-8,16,18-19,28H,9-10H2,1-2H3,(H2,26,30)(H,27,33)/t16-,18+,19-,24+/m0/s1
SMILES: C[C@@]12CCCC(=O)[C@H]1C[C@@H]3C(=O)CC[C@@H](C3(C)C)CC2=O
InChI: InChI=1S/C18H26O3/c1-17(2)11-6-7-15(20)12(17)10-13-14(19)5-4-8-18(13,3)16(21)9-11/h11-13H,4-10H2,1-3H3/t11-,12-,13-,18-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)F
InChI: InChI=1S/C18H23FN2O4/c1-12-4-2-3-5-15(12)21-16(22)11-25-17(23)10-20-18(24)13-6-8-14(19)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3,(H,20,24)(H,21,22)/t12-,15-/m0/s1
SMILES: CC(=O)O[C@H]([C@H](C(=O)N1[C@@H](COC1=O)C2=CC=CC=C2)OC)C(=O)C=CC(=O)CCCO[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C43H49NO14/c1-28(46)57-36(39(51-2)41(49)44-33(27-56-43(44)50)31-18-11-6-12-19-31)34(48)22-21-32(47)20-13-23-53-40-38(55-26-30-16-9-5-10-17-30)37(35(24-45)58-42(40)52-3)54-25-29-14-7-4-8-15-29/h4-12,14-19,21-22,33,35-40,42,45H,13,20,23-27H2,1-3H3/t33-,35+,36-,37+,38-,39+,40-,42-/m0/s1
SMILES: CCOC(=O)[C@@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CS3)C(=O)N(C2=O)C)CCSC
InChI: InChI=1S/C17H22N2O4S2/c1-4-23-16(22)17(7-9-24-3)12-11(14(20)19(2)15(12)21)13(18-17)10-6-5-8-25-10/h5-6,8,11-13,18H,4,7,9H2,1-3H3/p+1/t11-,12-,13-,17-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=C(C=C4)F)[N+](=O)[O-])C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C26H15FN2O7/c27-17-11-10-14(12-18(17)29(34)35)28-24(32)19-20(25(28)33)26(36-21(19)13-6-2-1-3-7-13)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,19-21H/t19-,20+,21-/m1/s1
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=NC(=O)N(C=C2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)/C)/C
InChI: InChI=1S/C29H39N3O6/c1-18(11-12-21-20(3)10-7-14-29(21,4)5)8-6-9-19(2)16-24(34)30-23-13-15-32(28(37)31-23)27-26(36)25(35)22(17-33)38-27/h6,8-9,11-13,15-16,22,25-27,33,35-36H,7,10,14,17H2,1-5H3,(H,30,31,34,37)/b9-6+,12-11+,18-8+,19-16+/t22-,25-,26+,27-/m1/s1
SMILES: CC1(N2[C@@H](CO1)[C@@H]([C@@H]([C@@H](C2=O)O)OC(=O)C3=CC=CC=C3)O)C
InChI: InChI=1S/C16H19NO6/c1-16(2)17-10(8-22-16)11(18)13(12(19)14(17)20)23-15(21)9-6-4-3-5-7-9/h3-7,10-13,18-19H,8H2,1-2H3/t10-,11-,12-,13-/m0/s1
SMILES: CC1(O[C@H]2[C@H](OC(=O)[C@H]([C@H]2O1)N=[N+]=[N-])[C@H]3COS(=O)(=O)O3)C
InChI: InChI=1S/C10H13N3O8S/c1-10(2)19-7-5(12-13-11)9(14)18-6(8(7)20-10)4-3-17-22(15,16)21-4/h4-8H,3H2,1-2H3/t4-,5+,6-,7-,8+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)OCC=C)O
InChI: InChI=1S/C17H22O6/c1-3-9-20-15-13(18)17(19-2)22-12-10-21-16(23-14(12)15)11-7-5-4-6-8-11/h3-8,12-18H,1,9-10H2,2H3/t12-,13-,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=CC(=CC=C5)O)C(=O)N(C4=O)O)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C27H24N2O6/c1-27-20(24(32)28(26(27)34)15-7-3-2-4-8-15)13-19-17(22(27)14-6-5-9-16(30)12-14)10-11-18-21(19)25(33)29(35)23(18)31/h2-10,12,18-22,30,35H,11,13H2,1H3/t18-,19+,20-,21-,22-,27+/m0/s1
SMILES: CC(=O)[C@H]1[C@H](C(=O)N1CC2=CC=CC=C2)N3[C@H](COC3=O)C4=CC=CC=C4
InChI: InChI=1S/C21H20N2O4/c1-14(24)18-19(20(25)22(18)12-15-8-4-2-5-9-15)23-17(13-27-21(23)26)16-10-6-3-7-11-16/h2-11,17-19H,12-13H2,1H3/t17-,18+,19-/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(=CC=C6)O)Cl)C7=CC=C(C=C7)F)Cl
InChI: InChI=1S/C34H27Cl2FN2O5/c1-2-18-6-10-21(11-7-18)38-29(41)25-15-14-24-26(27(25)30(38)42)17-33(35)31(43)39(22-12-8-20(37)9-13-22)32(44)34(33,36)28(24)19-4-3-5-23(40)16-19/h3-14,16,25-28,40H,2,15,17H2,1H3/t25-,26+,27-,28-,33+,34-/m0/s1
SMILES: CC1=C[C@H]([C@H]([C@H](C1=O)O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C13H24O4Si/c1-8-7-9(11(15)12(16)10(8)14)17-18(5,6)13(2,3)4/h7,9,11-12,15-16H,1-6H3/t9-,11-,12+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=C(C(=CC=C4)Cl)C)ON2C5=CC=CC=C5
InChI: InChI=1S/C25H21ClN2O3/c1-15-11-13-17(14-12-15)22-21-23(31-28(22)18-7-4-3-5-8-18)25(30)27(24(21)29)20-10-6-9-19(26)16(20)2/h3-14,21-23H,1-2H3/t21-,22-,23-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)NC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C12H17NO4/c1-7-9(14)10(15)11(16)12(17-7)13-8-5-3-2-4-6-8/h2-7,9-16H,1H3/t7-,9-,10+,11+,12-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@H]([C@H]2[C@@H](CC(O2)(C(=O)OC)O)O)O)O
InChI: InChI=1S/C16H22O10S/c1-9-3-5-10(6-4-9)27(22,23)25-8-12(18)13(19)14-11(17)7-16(21,26-14)15(20)24-2/h3-6,11-14,17-19,21H,7-8H2,1-2H3/t11-,12-,13-,14-,16?/m1/s1
SMILES: CC/C(=C\C1=CSC(=N1)C)/[C@@H]2C/C=C\CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C
InChI: InChI=1S/C27H41NO5S/c1-7-20(14-21-16-34-19(4)28-21)22-13-11-9-8-10-12-17(2)25(31)18(3)26(32)27(5,6)23(29)15-24(30)33-22/h9,11,14,16-18,22-23,25,29,31H,7-8,10,12-13,15H2,1-6H3/b11-9-,20-14+/t17-,18+,22-,23-,25-/m0/s1
SMILES: CC(=C1[C@@H]2C=C[C@H]1[C@@H]3[C@@H]2C(=O)[C@@H]4[C@H](C3=O)O4)C
InChI: InChI=1S/C14H14O3/c1-5(2)8-6-3-4-7(8)10-9(6)11(15)13-14(17-13)12(10)16/h3-4,6-7,9-10,13-14H,1-2H3/t6-,7+,9-,10-,13+,14-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C18H23Cl2N3O3/c1-11-4-2-3-5-15(11)23-17(25)10-21-16(24)9-22-18(26)13-7-6-12(19)8-14(13)20/h6-8,11,15H,2-5,9-10H2,1H3,(H,21,24)(H,22,26)(H,23,25)/t11-,15-/m1/s1
SMILES: CCOC(=O)[C@@H]1C[C@@H]1CN(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC=C4
InChI: InChI=1S/C24H26N2O3/c1-2-29-24(28)21-15-20(21)16-26(13-11-17-6-4-3-5-7-17)23(27)19-8-9-22-18(14-19)10-12-25-22/h3-10,12,14,20-21,25H,2,11,13,15-16H2,1H3/t20-,21-/m1/s1
SMILES: C[C@@H](COC1=CC=C(C=C1)C[C@H]2CCCC[C@@H]2O)OC3=CC=CC=C3
InChI: InChI=1S/C22H28O3/c1-17(25-21-8-3-2-4-9-21)16-24-20-13-11-18(12-14-20)15-19-7-5-6-10-22(19)23/h2-4,8-9,11-14,17,19,22-23H,5-7,10,15-16H2,1H3/t17-,19+,22-/m0/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(CBr)CBr
InChI: InChI=1S/C14H20Br2O8/c1-7(17)21-11-6-20-14(24-10(4-15)5-16)13(23-9(3)19)12(11)22-8(2)18/h10-14H,4-6H2,1-3H3/t11-,12-,13-,14+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(=C)C(C2=CC=CO2)O)C(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C24H30O4/c1-16-12-13-19(24(3,4)18-9-6-5-7-10-18)21(15-16)28-23(26)17(2)22(25)20-11-8-14-27-20/h5-11,14,16,19,21-22,25H,2,12-13,15H2,1,3-4H3/t16-,19-,21-,22?/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O
InChI: InChI=1S/C28H42O8/c1-26-8-5-17(36-25-24(32)23(31)21(29)14-35-25)12-16(26)3-4-20-19(26)6-9-27(2)18(7-10-28(20,27)33)15-11-22(30)34-13-15/h11,16-21,23-25,29,31-33H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23+,24-,25+,26+,27-,28+/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=O)NC3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4
InChI: InChI=1S/C20H22N2O6S/c23-20(21-15-9-5-2-6-10-15)28-17-12-27-18-16(11-26-19(17)18)22-29(24,25)13-14-7-3-1-4-8-14/h1-10,16-19,22H,11-13H2,(H,21,23)/t16-,17+,18+,19+/m0/s1
SMILES: C(CC(C(=O)O)N)CN=C(N)N.C(C(COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)O)O
InChI: InChI=1S/C9H19O11P.C6H14N4O2/c10-1-3(11)2-19-21(17,18)20-9-7(15)5(13)4(12)6(14)8(9)16;7-4(5(11)12)2-1-3-10-6(8)9/h3-16H,1-2H2,(H,17,18);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t3?,4?,5-,6+,7-,8-,9?;/m0./s1
SMILES: CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@]([C@@H]3OC(=O)C4=CC=CC=C4)([C@H]([C@@H]1O)OC)O)C56[C@H](C[C@H]([C@@]7([C@H]5[C@H](C2[C@H]6N(C7)C=O)OC)COC)O)OC
InChI: InChI=1S/C33H43NO12/c1-16(36)46-33-21-18(12-31(40,28(44-5)26(33)38)27(21)45-29(39)17-9-7-6-8-10-17)32-20(42-3)11-19(37)30(14-41-2)13-34(15-35)25(32)22(33)23(43-4)24(30)32/h6-10,15,18-28,37-38,40H,11-14H2,1-5H3/t18-,19-,20+,21-,22?,23+,24-,25-,26+,27-,28+,30+,31-,32?,33-/m1/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)C[C@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)C4=CC=CC=C4OC)C
InChI: InChI=1S/C26H31N3O4/c1-16-12-13-18(14-17(16)2)27-24(30)15-22-25(31)28-20-9-5-6-10-21(20)29(22)26(32)19-8-4-7-11-23(19)33-3/h4,7-8,11-14,20-22H,5-6,9-10,15H2,1-3H3,(H,27,30)(H,28,31)/t20-,21+,22+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC=C3[C@H]2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI: InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h15,20-22,24-26,31H,9-14,16-19H2,1-8H3/t21-,22-,24-,25?,26+,28-,29-,30+/m1/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=N\N3C(=NNC3=S)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C17H15ClN4OS/c1-10-7-14(10)15-6-5-13(23-15)9-19-22-16(20-21-17(22)24)11-3-2-4-12(18)8-11/h2-6,8-10,14H,7H2,1H3,(H,21,24)/b19-9-/t10-,14+/m1/s1
SMILES: CC(C)CC1[C@H]2CC(C=C[C@]2(OC3=C(C(=C(C(=C13)O)C=O)O)C=O)C)C(C)C
InChI: InChI=1S/C23H30O5/c1-12(2)8-15-18-9-14(13(3)4)6-7-23(18,5)28-22-17(11-25)20(26)16(10-24)21(27)19(15)22/h6-7,10-15,18,26-27H,8-9H2,1-5H3/t14?,15?,18-,23-/m1/s1
SMILES: CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCC[C@H]3NC(=O)C4=CNC5=CC=CC=C54
InChI: InChI=1S/C33H36N4O3/c1-37(22-24-14-6-3-7-15-24)33(40)30(20-23-12-4-2-5-13-23)36-31(38)26-17-9-11-19-29(26)35-32(39)27-21-34-28-18-10-8-16-25(27)28/h2-8,10,12-16,18,21,26,29-30,34H,9,11,17,19-20,22H2,1H3,(H,35,39)(H,36,38)/t26-,29-,30+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@]2(CO[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC3[C@@H](CO1)OC([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC4=CC=CC=C4)OC(=O)C
InChI: InChI=1S/C31H38O17/c1-15(32)38-13-23-31(48-20(6)37)14-40-29(27(43-18(4)35)28(31)44-19(5)36)47-24-22(12-39-23)46-30(45-21-10-8-7-9-11-21)26(42-17(3)34)25(24)41-16(2)33/h7-11,22-30H,12-14H2,1-6H3/t22-,23-,24?,25+,26-,27-,28-,29+,30?,31+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@H]([C@@H](O2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC=C4
InChI: InChI=1S/C21H19NO6/c1-26-14-10-8-12(9-11-14)17-15-16(18(28-17)21(25)27-2)20(24)22(19(15)23)13-6-4-3-5-7-13/h3-11,15-18H,1-2H3/t15-,16+,17+,18+/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C(N=CN=C43)NC(=O)NC5=CC=C(C=C5)S(=O)(=O)N6CCCC6)OC(O2)(C)C
InChI: InChI=1S/C26H32N8O7S/c1-4-27-23(35)19-18-20(41-26(2,3)40-18)24(39-19)34-14-30-17-21(28-13-29-22(17)34)32-25(36)31-15-7-9-16(10-8-15)42(37,38)33-11-5-6-12-33/h7-10,13-14,18-20,24H,4-6,11-12H2,1-3H3,(H,27,35)(H2,28,29,31,32,36)/t18-,19+,20-,24-/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+
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)O)C)C
InChI: InChI=1S/C33H54O5/c1-20(34)38-25-11-12-30(6)23(29(25,4)5)10-13-31(7)24(30)18-22(35)26-21-19-28(2,3)14-16-33(21,27(36)37-9)17-15-32(26,31)8/h21-26,35H,10-19H2,1-9H3/t21-,22+,23-,24+,25-,26-,30-,31+,32+,33-/m0/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)C5=C(C(=C(C(=C5F)F)F)F)F)CSC6=NN=C(S6)C
InChI: InChI=1S/C36H30F5N3O4S2/c1-18-26(17-49-36-44-43-19(2)50-36)47-35(48-33(18)22-11-9-20(16-45)10-12-22)25-8-4-7-24(14-25)23-6-3-5-21(13-23)15-42-34(46)27-28(37)30(39)32(41)31(40)29(27)38/h3-14,18,26,33,35,45H,15-17H2,1-2H3,(H,42,46)/t18-,26+,33+,35+/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H](C=C(S2)CO[Si](C)(C)C(C)(C)C)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C24H50O4SSi3/c1-17(2)31(18(3)4)26-16-23-22(27-32(28-31,19(5)6)20(7)8)14-21(29-23)15-25-30(12,13)24(9,10)11/h14,17-20,22-23H,15-16H2,1-13H3/t22-,23+/m0/s1
SMILES: C[C@@H]1[C@H]([Si](O[C@H]1C(C)C=C)(C(C)(C)C)C(C)(C)C)C
InChI: InChI=1S/C17H34OSi/c1-11-12(2)15-13(3)14(4)19(18-15,16(5,6)7)17(8,9)10/h11-15H,1H2,2-10H3/t12?,13-,14-,15+/m1/s1
SMILES: CC1=CC(=CC=C1)C(=CC(=O)[C@H]([C@@H](C(=O)N2[C@H](COC2=O)CC3=CC=CC=C3)OC)OC(=O)C)C(=O)CCCO[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC)CO)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C51H57NO14/c1-33-16-14-23-38(26-33)40(28-42(56)44(65-34(2)54)47(59-3)49(57)52-39(32-64-51(52)58)27-35-17-8-5-9-18-35)41(55)24-15-25-61-48-46(63-31-37-21-12-7-13-22-37)45(43(29-53)66-50(48)60-4)62-30-36-19-10-6-11-20-36/h5-14,16-23,26,28,39,43-48,50,53H,15,24-25,27,29-32H2,1-4H3/t39-,43+,44+,45+,46-,47-,48-,50-/m0/s1
SMILES: C1C=C2[C@H](CN1C(=O)OCC3=CC=CC=C3)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C27H21N5O4/c28-11-20-19-8-9-32(26(33)34-13-17-4-2-1-3-5-17)12-21(19)24(27(14-29,15-30)25(20)31)18-6-7-22-23(10-18)36-16-35-22/h1-8,10,21,24H,9,12-13,16,31H2/t21-,24-/m0/s1
SMILES: CCCC1=CC=C(C=C1)O[C@@H]2[C@H](OC3=C(C2=O)C=CC(=C3C)OCC4=CN(N=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C30H30N2O4/c1-4-8-22-11-13-25(14-12-22)36-30-21(3)35-29-20(2)27(16-15-26(29)28(30)33)34-19-23-17-31-32(18-23)24-9-6-5-7-10-24/h5-7,9-18,21,30H,4,8,19H2,1-3H3/t21-,30-/m1/s1
SMILES: C#C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC4CCCCC4)O)O
InChI: InChI=1S/C17H21N5O3/c1-2-11-13(23)14(24)17(25-11)22-9-20-12-15(18-8-19-16(12)22)21-10-6-4-3-5-7-10/h1,8-11,13-14,17,23-24H,3-7H2,(H,18,19,21)/t11-,13-,14-,17-/m1/s1
SMILES: COC1=CC=CC(=C1)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C5=C(N2)C(=CC=C5)C(=O)O
InChI: InChI=1S/C22H23NO3/c1-26-15-5-2-4-14(11-15)20-19-13-9-8-12(10-13)18(19)16-6-3-7-17(22(24)25)21(16)23-20/h2-7,11-13,18-20,23H,8-10H2,1H3,(H,24,25)/t12-,13+,18+,19-,20+/m0/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC[C@@H](CN2CCCCC2)O)C(C)C
InChI: InChI=1S/C18H35NO2/c1-14(2)17-8-7-15(3)11-18(17)21-13-16(20)12-19-9-5-4-6-10-19/h14-18,20H,4-13H2,1-3H3/t15-,16+,17-,18+/m0/s1
SMILES: CC1(CCCCC1)[C@@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CCC4)C(=O)C(=O)N)CCC35CC5)NC(=O)NC6(CCCCC6)CS(=O)(=O)C(C)(C)C
InChI: InChI=1S/C39H63N5O7S/c1-36(2,3)52(50,51)24-39(17-9-6-10-18-39)43-35(49)42-31(37(4)15-7-5-8-16-37)34(48)44-23-27-26(14-19-38(27)20-21-38)29(44)33(47)41-28(30(45)32(40)46)22-25-12-11-13-25/h25-29,31H,5-24H2,1-4H3,(H2,40,46)(H,41,47)(H2,42,43,49)/t26-,27-,28?,29-,31+/m0/s1
SMILES: COC1=C(C=CC(=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)C(=O)N)O
InChI: InChI=1S/C28H18Cl2F5N3O7/c1-45-13-6-8(2-5-12(13)39)15-9-3-4-10-14(23(41)38(22(10)40)26(36)44)11(9)7-27(29)24(42)37(25(43)28(15,27)30)21-19(34)17(32)16(31)18(33)20(21)35/h2-3,5-6,10-11,14-15,39H,4,7H2,1H3,(H2,36,44)/t10-,11+,14-,15-,27+,28-/m0/s1
SMILES: CN(C1=CC=C(C=C1)C(=O)OC)C(=O)[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)N=[N+]=[N-])O)O)O
InChI: InChI=1S/C15H18N4O7/c1-19(8-5-3-7(4-6-8)15(24)25-2)14(23)12-10(21)9(20)11(22)13(26-12)17-18-16/h3-6,9-13,20-22H,1-2H3/t9-,10-,11+,12-,13-/m0/s1
SMILES: CC1=CC=C(C=C1)C(C)(C)O[C@@H]2CC(=O)C[C@H]3[C@@H]2C(=O)C4=C(C3=O)C=CC=C4O
InChI: InChI=1S/C24H24O5/c1-13-7-9-14(10-8-13)24(2,3)29-19-12-15(25)11-17-21(19)23(28)20-16(22(17)27)5-4-6-18(20)26/h4-10,17,19,21,26H,11-12H2,1-3H3/t17-,19+,21-/m0/s1
SMILES: CC(=O)O[C@H]1C[C@H]2[C@H]([C@H]3[C@@H]1OC(O3)(C)C)NC(=O)C4=CC5=C(C=C24)OCO5
InChI: InChI=1S/C19H21NO7/c1-8(21)25-14-5-10-9-4-12-13(24-7-23-12)6-11(9)18(22)20-15(10)17-16(14)26-19(2,3)27-17/h4,6,10,14-17H,5,7H2,1-3H3,(H,20,22)/t10-,14+,15-,16-,17+/m1/s1
SMILES: C1C(=O)N[C@@H]([C@@H](N1CC#N)C2=CC=CC=C2)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.Cl
InChI: InChI=1S/C22H19F6N3O2.ClH/c23-21(24,25)16-8-14(9-17(10-16)22(26,27)28)12-33-13-18-20(15-4-2-1-3-5-15)31(7-6-29)11-19(32)30-18;/h1-5,8-10,18,20H,7,11-13H2,(H,30,32);1H/t18-,20+;/m1./s1
SMILES: CCCC(=O)N([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)C=O)OC)C(=O)NCCO)C3CCCCCC3
InChI: InChI=1S/C28H39IN2O7/c1-3-8-25(34)31(20-9-6-4-5-7-10-20)22-15-19(28(36)30-11-12-32)16-23(26(22)35)38-27-21(29)13-18(17-33)14-24(27)37-2/h13-14,16-17,20,22-23,26,32,35H,3-12,15H2,1-2H3,(H,30,36)/t22-,23+,26+/m1/s1
SMILES: C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C([C@@H]4O)Cl)C)Br
InChI: InChI=1S/C20H26BrClO2/c1-19-10-8-16(23)17(21)14(19)4-3-11-12-5-6-15(22)18(24)20(12,2)9-7-13(11)19/h6,11-13,18,24H,3-5,7-10H2,1-2H3/t11-,12-,13-,18-,19+,20-/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@H]([C@H](O6)COC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=C(C=C9)OC)O)N1CCOCC1
InChI: InChI=1S/C54H52N6O6/c1-62-44-27-23-40(24-28-44)53(38-15-7-3-8-16-38,39-17-9-4-10-18-39)58-50-47-51(56-36-55-50)60(37-57-47)52-48(59-31-33-64-34-32-59)49(61)46(66-52)35-65-54(41-19-11-5-12-20-41,42-21-13-6-14-22-42)43-25-29-45(63-2)30-26-43/h3-30,36-37,46,48-49,52,61H,31-35H2,1-2H3,(H,55,56,58)/t46-,48-,49+,52-/m1/s1
SMILES: C1C[C@H]2C=C[C@@H]1[C@@H]([C@H]2/C=N/OC(C3=CC=CC=C3)C4=CC=CC=C4)C/C=C\CCCC(=O)O
InChI: InChI=1S/C29H33NO3/c31-28(32)16-10-2-1-9-15-26-22-17-19-23(20-18-22)27(26)21-30-33-29(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h1,3-9,11-14,17,19,21-23,26-27,29H,2,10,15-16,18,20H2,(H,31,32)/b9-1-,30-21+/t22-,23+,26-,27-/m0/s1
SMILES: CC1=C(SC=C1)[C@@H]2[C@H]3C(=O)CC(C=C3NC4=NC(=NN24)SC)(C)C
InChI: InChI=1S/C17H20N4OS2/c1-9-5-6-24-14(9)13-12-10(7-17(2,3)8-11(12)22)18-15-19-16(23-4)20-21(13)15/h5-7,12-13H,8H2,1-4H3,(H,18,19,20)/t12-,13+/m1/s1
SMILES: CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)C=NCC3=CC=C(C=C3)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C31H50N4O6Si2/c1-21(36)33-25-17-18-35(29(37)34-25)28-27(41-43(11,12)31(5,6)7)26(40-42(9,10)30(2,3)4)24(39-28)20-32-19-22-13-15-23(38-8)16-14-22/h13-18,20,24,26-28H,19H2,1-12H3,(H,33,34,36,37)/t24-,26-,27+,28-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(C)(C)C
InChI: InChI=1S/C25H29NO3/c1-16-5-14-21-22(15-16)24(28)26(23(21)27)18-8-12-20(13-9-18)29-19-10-6-17(7-11-19)25(2,3)4/h6-13,16,21-22H,5,14-15H2,1-4H3/t16-,21+,22-/m1/s1
SMILES: CCC(=O)OCC(=O)C1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2[C@@H](CC4=CC(=O)C=C[C@]34C)Cl)O)C)C)OC(=O)CC
InChI: InChI=1S/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3/t15-,18+,19-,20+,24-,25+,26+,27+,28?/m1/s1
SMILES: C[NH+]1CC[C@]([C@@H](C1)C(=O)C2=CC=CS2)(C3=CC=CS3)O
InChI: InChI=1S/C15H17NO2S2/c1-16-7-6-15(18,13-5-3-9-20-13)11(10-16)14(17)12-4-2-8-19-12/h2-5,8-9,11,18H,6-7,10H2,1H3/p+1/t11-,15-/m0/s1
SMILES: CC1(OC[C@H]2CN(C[C@H]([C@H]2O1)C(=O)OC)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C16H27NO6/c1-15(2,3)23-14(19)17-7-10-9-21-16(4,5)22-12(10)11(8-17)13(18)20-6/h10-12H,7-9H2,1-6H3/t10-,11-,12+/m1/s1
SMILES: CCCCCCCC/C=C/[C@H]1[C@@H](CC[C@H](O1)[C@H](CCO[Si](C)(C)C(C)(C)C)O)O
InChI: InChI=1S/C24H48O4Si/c1-7-8-9-10-11-12-13-14-15-22-20(25)16-17-23(28-22)21(26)18-19-27-29(5,6)24(2,3)4/h14-15,20-23,25-26H,7-13,16-19H2,1-6H3/b15-14+/t20-,21+,22+,23+/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@@H]2CC[C@H]3[C@@H]([C@@H]2C1=O)[C@@H]([C@@H](CC3=NOCCCC#C)O)O
InChI: InChI=1S/C21H30N2O5/c1-5-6-7-10-28-22-14-11-15(24)18(25)16-12(14)8-9-13-17(16)20(27)23(19(13)26)21(2,3)4/h1,12-13,15-18,24-25H,6-11H2,2-4H3/t12-,13-,15-,16+,17-,18-/m1/s1
SMILES: C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O
InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/t19-,20-,23+,25-/m1/s1
SMILES: CC[C@@H]1[C@H](C2=NC1=CC3=C(C(=C(N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=C2)N5)C(=O)C)C)C)CCC(=O)NCCN6CCNCC6)CC(=O)OC)C(=O)NCCN7CCNCC7)C)C
InChI: InChI=1S/C47H66N10O5/c1-8-32-27(2)35-26-40-43(31(6)58)29(4)37(53-40)24-36-28(3)33(9-10-41(59)50-15-21-56-17-11-48-12-18-56)45(54-36)34(23-42(60)62-7)46-44(30(5)38(55-46)25-39(32)52-35)47(61)51-16-22-57-19-13-49-14-20-57/h24-28,32-33,48-49,53,55H,8-23H2,1-7H3,(H,50,59)(H,51,61)/t27-,28+,32-,33+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)OCC3=C(C=C(C=C3)Br)F
InChI: InChI=1S/C18H19BrFNO4/c19-12-6-5-11(15(20)9-12)10-25-16(22)7-8-21-17(23)13-3-1-2-4-14(13)18(21)24/h5-6,9,13-14H,1-4,7-8,10H2/t13-,14-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@H]([C@@H](CO)O)O)(C(=O)[O-])O)O
InChI: InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/p-1/t5-,6+,7+,8-,9+,11-/m0/s1