EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCO[C@]1([C@](O[C@H]([C@@H](O1)CP(C2=CC=CC=C2OC)C3=CC=CC=C3OC)CP(C4=CC=CC=C4OC)C5=CC=CC=C5OC)(C)OCC)C
InChI: InChI=1S/C40H50O8P2/c1-9-45-39(3)40(4,46-10-2)48-34(28-50(37-25-17-13-21-31(37)43-7)38-26-18-14-22-32(38)44-8)33(47-39)27-49(35-23-15-11-19-29(35)41-5)36-24-16-12-20-30(36)42-6/h11-26,33-34H,9-10,27-28H2,1-8H3/t33-,34-,39+,40+/m0/s1
SMILES: CC1(C[C@]2(CCO1)[C@H](CC(=O)O2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C
InChI: InChI=1S/C17H19ClN2O6/c1-16(2)9-17(5-6-25-16)11(8-14(21)26-17)15(22)19-12-4-3-10(18)7-13(12)20(23)24/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,19,22)/t11-,17-/m1/s1
SMILES: CN(CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)CC(=O)N2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C21H28F3N3O3/c1-26(14-20(29)27-12-4-6-15-5-2-3-7-18(15)27)13-19(28)25-16-8-10-17(11-9-16)30-21(22,23)24/h8-11,15,18H,2-7,12-14H2,1H3,(H,25,28)/t15-,18+/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)CN3CCN(CC3)CC(=O)NC4=CC(=CC=C4)F
InChI: InChI=1S/C23H33FN4O2/c24-20-6-3-7-21(14-20)25-22(29)16-26-10-12-27(13-11-26)17-23(30)28-9-8-18-4-1-2-5-19(18)15-28/h3,6-7,14,18-19H,1-2,4-5,8-13,15-17H2,(H,25,29)/t18-,19+/m1/s1
SMILES: [C@@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)(O)O)O)O
InChI: InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3-,4+,5+,6?/m1/s1
SMILES: C/C(=C\[C@@H]1C[C@@H]2[C@H]([C@@H]1NC(=O)C3=CC=CC=C3)OC(O2)(C)C)/COC
InChI: InChI=1S/C20H27NO4/c1-13(12-23-4)10-15-11-16-18(25-20(2,3)24-16)17(15)21-19(22)14-8-6-5-7-9-14/h5-10,15-18H,11-12H2,1-4H3,(H,21,22)/b13-10+/t15-,16-,17-,18-/m1/s1
SMILES: CCOC(=O)C1=CC=C(S1)[C@]2(C[C@H]2C3CCCCC3)C(=O)NC4=NC=CS4
InChI: InChI=1S/C20H24N2O3S2/c1-2-25-17(23)15-8-9-16(27-15)20(18(24)22-19-21-10-11-26-19)12-14(20)13-6-4-3-5-7-13/h8-11,13-14H,2-7,12H2,1H3,(H,21,22,24)/t14-,20+/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O.C1(C(C(C(C(C1O)O)O)O)O)O
InChI: InChI=1S/C12H22O11.C6H12O6/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4;7-1-2(8)4(10)6(12)5(11)3(1)9/h3-20H,1-2H2;1-12H/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+;/m1./s1
SMILES: COC1=C(C=C(C=C1)C#CCC(C(C2=CC(=C(C=C2)OC)OC)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC
InChI: InChI=1S/C27H34O11/c1-33-17-10-8-15(12-20(17)35-3)6-5-7-19(23(29)16-9-11-18(34-2)21(13-16)36-4)37-27-26(32)25(31)24(30)22(14-28)38-27/h8-13,19,22-32H,7,14H2,1-4H3/t19?,22-,23?,24-,25+,26-,27-/m1/s1
SMILES: CC1=CC(=C(N1)C)C[C@@H]([C@H]2[C@@H](OC(O2)(C)C)[C@H](CC3=C(NC(=C3)C)C)O)O
InChI: InChI=1S/C21H32N2O4/c1-11-7-15(13(3)22-11)9-17(24)19-20(27-21(5,6)26-19)18(25)10-16-8-12(2)23-14(16)4/h7-8,17-20,22-25H,9-10H2,1-6H3/t17-,18-,19-,20-/m0/s1
SMILES: C[N+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O)[O-]
InChI: InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-,19?/m0/s1
SMILES: COC(=O)[C@@H]1C(=C)NC(=O)[C@@]1(C(F)(F)F)NC2=[NH+]C=C(C=C2)Cl
InChI: InChI=1S/C13H11ClF3N3O3/c1-6-9(10(21)23-2)12(11(22)19-6,13(15,16)17)20-8-4-3-7(14)5-18-8/h3-5,9H,1H2,2H3,(H,18,20)(H,19,22)/p+1/t9-,12-/m0/s1
SMILES: COC1=CC=CC2=C1[C@H]3CCN(C[C@@H]3C2)CCCCN4C(=O)CC5(CCCC5)CC4=O
InChI: InChI=1S/C26H36N2O3/c1-31-22-8-6-7-19-15-20-18-27(14-9-21(20)25(19)22)12-4-5-13-28-23(29)16-26(17-24(28)30)10-2-3-11-26/h6-8,20-21H,2-5,9-18H2,1H3/t20-,21-/m0/s1
SMILES: CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC(=O)C)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C
InChI: InChI=1S/C42H65NO11/c1-10-27-12-11-13-35(54-37-17-16-34(43(6)7)23(3)49-37)22(2)38(46)33-20-31-29(32(33)21-36(45)52-27)15-14-26-18-28(19-30(26)31)53-42-41(51-25(5)44)40(48-9)39(47-8)24(4)50-42/h14-15,20,22-24,26-32,34-35,37,39-42H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,26-,27+,28-,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1
SMILES: C1C[C@H]2[C@H]([C@H](C3=CC=CC=C3O2)C4=C(CCCC4=O)O)C(=O)C1
InChI: InChI=1S/C19H20O4/c20-12-6-3-7-13(21)18(12)17-11-5-1-2-9-15(11)23-16-10-4-8-14(22)19(16)17/h1-2,5,9,16-17,19-20H,3-4,6-8,10H2/t16-,17+,19+/m0/s1
SMILES: C1[C@@H]([C@H](OC2=C1C=CC(=C2)O)C3=CC(=C(C=C3)O)O)OC4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C21H24O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-6-9-1-3-11(23)7-14(9)29-20(15)10-2-4-12(24)13(25)5-10/h1-5,7,15-28H,6,8H2/t15-,16+,17+,18-,19-,20+,21?/m0/s1
SMILES: CCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOC)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OC7=CC=C(C=C7)C8=CC=CC=C8)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C54H60N2O8/c1-4-32-62-54-50(56(53(59)61-5-2)36-41-21-15-20-39-18-9-10-22-44(39)41)35-48(55-60-3)46-33-40(19-11-13-30-57)45(23-12-14-31-58)51(52(46)54)47-34-43(28-29-49(47)64-54)63-42-26-24-38(25-27-42)37-16-7-6-8-17-37/h4,6-10,15-18,20-22,24-29,33-34,40,45,50-52,57-58H,1,5,11-14,19,23,30-32,35-36H2,2-3H3/t40-,45+,50-,51+,52+,54+/m0/s1
SMILES: CC(=O)O[C@]12CC[C@]3([C@@]1(CC[C@H]4[C@H]3CCC5=C4C=CC(=C5)OC)C)C[C@H]2C=O
InChI: InChI=1S/C24H30O4/c1-15(26)28-24-11-10-23(13-17(24)14-25)21-7-4-16-12-18(27-3)5-6-19(16)20(21)8-9-22(23,24)2/h5-6,12,14,17,20-21H,4,7-11,13H2,1-3H3/t17-,20+,21+,22-,23-,24-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N(C2=CC=CC=C2)C3=CC=CC=N3)C(C)C
InChI: InChI=1S/C22H28N2O2/c1-16(2)19-13-12-17(3)15-20(19)26-22(25)24(18-9-5-4-6-10-18)21-11-7-8-14-23-21/h4-11,14,16-17,19-20H,12-13,15H2,1-3H3/t17-,19+,20-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2CC[C@H]([C@H]2C1)O
InChI: InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-8-10-6-7-13(15)12(10)9-11/h10-13,15H,6-9H2,1-5H3/t10-,11+,12+,13-/m1/s1
SMILES: CCCCCCC[C@H]1[C@@H](C(=O)O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C30H34O3/c1-2-3-4-5-15-22-28-27(29(31)33-28)23-32-30(24-16-9-6-10-17-24,25-18-11-7-12-19-25)26-20-13-8-14-21-26/h6-14,16-21,27-28H,2-5,15,22-23H2,1H3/t27-,28-/m0/s1
SMILES: CC1=C([C@@H]([C@H]([C@]2(N1CCCO2)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C20H24N2O7/c1-12-15(18(23)27-3)16(13-7-5-8-14(11-13)22(25)26)17(19(24)28-4)20(2)21(12)9-6-10-29-20/h5,7-8,11,16-17H,6,9-10H2,1-4H3/t16-,17-,20-/m0/s1
SMILES: CC1=CC=C(C=C1)C2=N[C@@H]3[C@H](C(=CS3)C4=CC=CC=C4)C(=O)O2
InChI: InChI=1S/C19H15NO2S/c1-12-7-9-14(10-8-12)17-20-18-16(19(21)22-17)15(11-23-18)13-5-3-2-4-6-13/h2-11,16,18H,1H3/t16-,18-/m0/s1
SMILES: CCOP(=O)(OCC)SC#C[C@@]1(C[C@@H](N[C@@H]([C@H]1C)C2=CC=CC=C2)C3=CC=CC=C3)O
InChI: InChI=1S/C24H30NO4PS/c1-4-28-30(27,29-5-2)31-17-16-24(26)18-22(20-12-8-6-9-13-20)25-23(19(24)3)21-14-10-7-11-15-21/h6-15,19,22-23,25-26H,4-5,18H2,1-3H3/t19-,22-,23+,24+/m1/s1
SMILES: CC(C)(CCNC(=O)NCC(=O)ONC)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=CC=C(C=C4)OC
InChI: InChI=1S/C34H49N5O11S/c1-34(2,15-16-36-32(42)37-19-30(41)50-35-3)22-39(51(44,45)25-12-10-24(46-4)11-13-25)20-28(40)27(18-23-8-6-5-7-9-23)38-33(43)49-29-21-48-31-26(29)14-17-47-31/h5-13,26-29,31,35,40H,14-22H2,1-4H3,(H,38,43)(H2,36,37,42)/t26-,27-,28+,29-,31+/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)N[C@@H](C)C(C)C
InChI: InChI=1S/C18H29N3O5/c1-11(2)13(4)19-14(22)10-26-15(23)9-21-16(24)18(20-17(21)25)8-6-5-7-12(18)3/h11-13H,5-10H2,1-4H3,(H,19,22)(H,20,25)/t12-,13+,18+/m1/s1
SMILES: CO[C@H]1C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]([C@H]1OC)C(=O)OC)NC5=C4C=CC(=C5)OC
InChI: InChI=1S/C24H32N2O5/c1-28-14-5-6-15-16-7-8-26-12-13-9-20(29-2)23(30-3)21(24(27)31-4)17(13)11-19(26)22(16)25-18(15)10-14/h5-6,10,13,17,19-21,23,25H,7-9,11-12H2,1-4H3/t13-,17+,19-,20+,21+,23+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)O)N=C(S3)NC(=O)C4=CC=CO4)(C)CO)O
InChI: InChI=1S/C21H26N2O6S/c1-20-6-5-15(25)21(2,10-24)14(20)9-13-17(11(20)8-16(26)27)22-19(30-13)23-18(28)12-4-3-7-29-12/h3-4,7,11,14-15,24-25H,5-6,8-10H2,1-2H3,(H,26,27)(H,22,23,28)/t11-,14+,15-,20+,21+/m1/s1
SMILES: CC(CC/C=C(/C)\C(=O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC=C4[C@@]3(C=CC(=O)C4(C)C)C)C)C
InChI: InChI=1S/C30H42O3/c1-19(9-8-10-20(2)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/h10,12,15-16,19,21H,8-9,11,13-14,17-18H2,1-7H3,(H,32,33)/b20-10-/t19?,21-,28-,29-,30+/m1/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@@H]4[C@H]([C@@H](O3)C5=CC=C(C=C5)Br)C(=O)N(C4=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C26H14BrClFNO5/c27-13-7-5-12(6-8-13)21-19-20(25(34)30(24(19)33)14-9-10-18(29)17(28)11-14)26(35-21)22(31)15-3-1-2-4-16(15)23(26)32/h1-11,19-21H/t19-,20-,21+/m1/s1
SMILES: C[C@@H]1CC(C2=CC=CC=C2N([C@@H]1CNS(=O)(=O)C3=CC=C(C=C3)C)C)C
InChI: InChI=1S/C21H28N2O2S/c1-15-9-11-18(12-10-15)26(24,25)22-14-21-17(3)13-16(2)19-7-5-6-8-20(19)23(21)4/h5-12,16-17,21-22H,13-14H2,1-4H3/t16?,17-,21-/m1/s1
SMILES: C1=CC=C(C=C1)C[C@H](C(=O)OC[C@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)[NH3+]
InChI: InChI=1S/C15H21NO7/c16-9(6-8-4-2-1-3-5-8)14(20)22-7-10-11(17)12(18)13(19)15(21)23-10/h1-5,9-13,15,17-19,21H,6-7,16H2/p+1/t9-,10+,11+,12+,13-,15+/m1/s1
SMILES: CC1=CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC#CC[NH+]3CC[NH+](CC3)C/C=C/C4=CC=CC=C4
InChI: InChI=1S/C26H31N3O2/c1-21-11-12-23-24(20-21)26(31)29(25(23)30)15-6-5-13-27-16-18-28(19-17-27)14-7-10-22-8-3-2-4-9-22/h2-4,7-11,23-24H,12-20H2,1H3/p+2/b10-7+/t23-,24+/m0/s1
SMILES: CC1C(CC(C(O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)OC7C(C(C(CO7)O)O)O)F
InChI: InChI=1S/C39H40FNO17/c1-11-5-18-26(32(48)23(11)36(51)41-12(2)37(52)53)25-16(8-17-27(33(25)49)29(45)15-6-14(54-4)7-20(42)24(15)28(17)44)30(46)35(18)58-38-22(9-19(40)13(3)56-38)57-39-34(50)31(47)21(43)10-55-39/h5-8,12-13,19,21-22,30-31,34-35,38-39,42-43,46-50H,9-10H2,1-4H3,(H,41,51)(H,52,53)/t12?,13?,19?,21?,22?,30-,31?,34?,35-,38?,39?/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)C=NN5C6=C(N=CC=C6)F
InChI: InChI=1S/C28H34FN3O4/c1-15-9-19-18-7-6-17-10-21-16(13-31-32(21)20-5-4-8-30-25(20)29)11-26(17,2)24(18)22(34)12-27(19,3)28(15,36)23(35)14-33/h4-5,8,10,13,15,18-19,22,24,33-34,36H,6-7,9,11-12,14H2,1-3H3/t15-,18+,19+,22+,24-,26+,27+,28+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)N2C=C(C3=C2N=CC=C3)C4=C(C(=O)N(C4=O)COCC5=CC=CC=C5)C6=CNC7=CC=CC=C76)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C41H38N4O12/c1-22(46)53-20-32-35(54-23(2)47)36(55-24(3)48)37(56-25(4)49)41(57-32)44-18-30(28-14-10-16-42-38(28)44)34-33(29-17-43-31-15-9-8-13-27(29)31)39(50)45(40(34)51)21-52-19-26-11-6-5-7-12-26/h5-18,32,35-37,41,43H,19-21H2,1-4H3/t32-,35-,36+,37-,41+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)N(C)CC(=O)NC3CC3
InChI: InChI=1S/C18H26N4O5/c1-11-5-3-4-6-13(11)22-17(26)16(25)21(18(22)27)10-15(24)20(2)9-14(23)19-12-7-8-12/h11-13H,3-10H2,1-2H3,(H,19,23)/t11-,13-/m1/s1
SMILES: COC1([C@@]2([C@H]3[C@H]4C[C@@H]([C@H]3[C@]1(C(=C2Cl)Cl)Cl)[C@H]5[C@@H]4C5(C6=CC=CC=C6)C7=CC=CC=C7)Cl)OC
InChI: InChI=1S/C27H24Cl4O2/c1-32-27(33-2)25(30)20-16-13-17(21(20)26(27,31)23(29)22(25)28)19-18(16)24(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-21H,13H2,1-2H3/t16-,17+,18+,19-,20-,21+,25-,26+
SMILES: CC1=CC=C(C=C1)N2[C@@H]3[C@H](C(=N2)C(=O)C)C(=O)N(C3=O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C21H19N3O4/c1-12-4-6-15(7-5-12)24-19-17(18(22-24)13(2)25)20(26)23(21(19)27)14-8-10-16(28-3)11-9-14/h4-11,17,19H,1-3H3/t17-,19+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)O)C5=CC(=C(C=C5)OC)O
InChI: InChI=1S/C24H21NO7/c1-10-7-16(26)15-9-14-12(4-5-13-20(14)24(30)25(31)23(13)29)19(21(15)22(10)28)11-3-6-18(32-2)17(27)8-11/h3-4,6-8,13-14,19-20,27,31H,5,9H2,1-2H3/t13-,14+,19-,20-/m0/s1
SMILES: CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C23H42O13/c1-2-3-4-5-6-7-8-31-21-17(28)16(27)14(35-21)11-32-22-19(30)20(13(10-25)34-22)36-23-18(29)15(26)12(9-24)33-23/h12-30H,2-11H2,1H3/t12-,13-,14-,15-,16-,17+,18+,19+,20-,21+,22+,23-/m1/s1
SMILES: CN([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=C6F)OCC=C)CCCCO)CCCCO)C(=O)OC7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C49H54FN3O10/c1-3-27-60-49-45(52(2)48(56)62-37-21-19-36(20-22-37)53(57)58)30-43(51-61-31-33-13-5-4-6-14-33)40-28-34(15-9-11-25-54)39(17-10-12-26-55)46(47(40)49)41-29-38(23-24-44(41)63-49)59-32-35-16-7-8-18-42(35)50/h3-8,13-14,16,18-24,28-29,34,39,45-47,54-55H,1,9-12,15,17,25-27,30-32H2,2H3/t34-,39+,45-,46+,47+,49+/m0/s1
SMILES: C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C
InChI: InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19+/m0/s1
SMILES: CCCCC[C@H](/C=C/[C@H]([C@@H]1C[C@@H]([C@@H](O1)C/C=C\CCCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C38H76O6Si3/c1-17-18-21-24-30(42-45(11,12)36(2,3)4)27-28-32(43-46(13,14)37(5,6)7)33-29-34(44-47(15,16)38(8,9)10)31(41-33)25-22-19-20-23-26-35(39)40/h19,22,27-28,30-34H,17-18,20-21,23-26,29H2,1-16H3,(H,39,40)/b22-19-,28-27+/t30-,31+,32-,33+,34+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCOC(=O)CCl
InChI: InChI=1S/C13H14ClNO4/c14-6-9(16)19-4-3-15-12(17)10-7-1-2-8(5-7)11(10)13(15)18/h1-2,7-8,10-11H,3-6H2/t7-,8+,10+,11-
SMILES: CC[C@H](C)[C@@H](C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O[C@@H]1[C@@H]([C@H]([C@@H](CO1)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C31H48N6O16/c1-7-14(2)25(30(48)33-10-22(32)43)37-23(44)11-34-28(46)20(12-38)36-29(47)19(35-15(3)39)8-9-24(45)53-31-27(52-18(6)42)26(51-17(5)41)21(13-49-31)50-16(4)40/h14,19-21,25-27,31,38H,7-13H2,1-6H3,(H2,32,43)(H,33,48)(H,34,46)(H,35,39)(H,36,47)(H,37,44)/t14-,19-,20-,21+,25-,26-,27+,31+/m0/s1
SMILES: CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)NC(=O)C[C@H]3CCCN4[C@@H]3CCCC4
InChI: InChI=1S/C25H30N2O2/c1-18-16-21(25(29)19-8-3-2-4-9-19)12-13-22(18)26-24(28)17-20-10-7-15-27-14-6-5-11-23(20)27/h2-4,8-9,12-13,16,20,23H,5-7,10-11,14-15,17H2,1H3,(H,26,28)/t20-,23-/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC5=CC=CC=C54)O)C6=CC=CC=C6)C7=CC(=CC=C7)Cl)[C@@H]8[C@H]1C(=O)N(C8=O)O
InChI: InChI=1S/C36H27ClN2O6/c37-21-10-6-11-22(17-21)38-33(42)27-18-26-24(14-15-25-29(26)34(43)39(45)32(25)41)31(36(27,35(38)44)20-8-2-1-3-9-20)30-23-12-5-4-7-19(23)13-16-28(30)40/h1-14,16-17,25-27,29,31,40,45H,15,18H2/t25-,26+,27-,29-,31+,36+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)COC(=O)C3=CC=CC=C3NCCO
InChI: InChI=1S/C20H28N2O4/c23-13-11-21-17-9-3-2-8-16(17)20(25)26-14-19(24)22-12-5-7-15-6-1-4-10-18(15)22/h2-3,8-9,15,18,21,23H,1,4-7,10-14H2/t15-,18+/m1/s1
SMILES: CC1CN2C3=C(CN1CC=C(C)C)C=CC=C3NC2=S.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI: InChI=1S/C16H21N3S.C10H13N5O4/c1-11(2)7-8-18-10-13-5-4-6-14-15(13)19(9-12(18)3)16(20)17-14;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h4-7,12H,8-10H2,1-3H3,(H,17,20);3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t;6-,7+,8+/m.0/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@@H]2C[NH+](CC3)C)CC(=O)N(C)C4=CC=CC=C4
InChI: InChI=1S/C22H27N3O/c1-16-9-10-20-18(13-16)19-14-23(2)12-11-21(19)25(20)15-22(26)24(3)17-7-5-4-6-8-17/h4-10,13,19,21H,11-12,14-15H2,1-3H3/p+1/t19-,21-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CCC(=O)NC2C3CC4CC(C3)CC2C4
InChI: InChI=1S/C22H36N2O2/c1-13-4-3-5-19(14(13)2)23-20(25)6-7-21(26)24-22-17-9-15-8-16(11-17)12-18(22)10-15/h13-19,22H,3-12H2,1-2H3,(H,23,25)(H,24,26)/t13-,14+,15?,16?,17?,18?,19+,22?/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C=CC8=CC(=C(C(=C8)OC)O)OC)C(=O)N(C7=O)C(C)(C)C)C
InChI: InChI=1S/C42H43ClN4O7S/c1-20-25-17-22(43)10-14-32(25)55-36(20)29-19-33(45(6)44-29)46-38(50)28-18-26-23(11-12-24-34(26)39(51)47(37(24)49)41(2,3)4)27(42(28,5)40(46)52)13-9-21-15-30(53-7)35(48)31(16-21)54-8/h9-11,13-17,19,24,26-28,34,48H,12,18H2,1-8H3/t24-,26+,27-,28-,34-,42-/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)CN6[C@@H]7CCCC[C@@H]7CC[C@@H]6C(=O)NC(C)(C)C
InChI: InChI=1S/C47H52F5N3O5/c1-26-36(24-55-34-14-6-5-10-29(34)19-20-35(55)44(57)54-47(2,3)4)59-46(60-43(26)30-17-15-27(25-56)16-18-30)33-13-8-12-32(22-33)31-11-7-9-28(21-31)23-53-45(58)37-38(48)40(50)42(52)41(51)39(37)49/h7-9,11-13,15-18,21-22,26,29,34-36,43,46,56H,5-6,10,14,19-20,23-25H2,1-4H3,(H,53,58)(H,54,57)/t26-,29+,34+,35+,36+,43+,46+/m0/s1
SMILES: CC1=C(C=CC(=C1)OCC(=O)NN2C(=O)[C@H]3[C@H]4CC[C@@H]([C@@H]3C2=O)C4=C(C)C)Cl
InChI: InChI=1S/C21H23ClN2O4/c1-10(2)17-13-5-6-14(17)19-18(13)20(26)24(21(19)27)23-16(25)9-28-12-4-7-15(22)11(3)8-12/h4,7-8,13-14,18-19H,5-6,9H2,1-3H3,(H,23,25)/t13-,14+,18-,19-/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO
InChI: InChI=1S/C18H33NO13/c20-3-6-1-19-2-7(23)15(6)31-18-14(28)12(26)16(9(5-22)30-18)32-17-13(27)11(25)10(24)8(4-21)29-17/h6-28H,1-5H2/t6-,7-,8-,9-,10-,11+,12-,13-,14-,15-,16-,17+,18+/m1/s1
SMILES: CC1(O[C@H]2[C@H](O1)C3=C4C=C5CCC=C5[C@@H]4C=C[C@@H]3C6=CC(=C(C=C26)OC)OC)C
InChI: InChI=1S/C25H26O4/c1-25(2)28-23-19-12-21(27-4)20(26-3)11-17(19)16-9-8-15-14-7-5-6-13(14)10-18(15)22(16)24(23)29-25/h7-12,15-16,23-24H,5-6H2,1-4H3/t15-,16+,23+,24+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C=CC5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)CC6=CC=CC=C6)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C37H32ClFN2O6/c1-37-26(13-8-20-9-15-30(42)31(16-20)47-2)23-11-12-24-32(35(45)40(33(24)43)19-21-6-4-3-5-7-21)25(23)18-27(37)34(44)41(36(37)46)22-10-14-29(39)28(38)17-22/h3-11,13-17,24-27,32,42H,12,18-19H2,1-2H3/t24-,25+,26-,27-,32-,37-/m0/s1
SMILES: C[C@@H]1C[C@H]([C@H](C(C1)O)[C@H]2CCC[C@H](C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])[Si](C)(C)C4=CC=CC=C4
InChI: InChI=1S/C28H36N2O7Si/c1-18-12-25(31)27(26(13-18)38(2,3)24-10-5-4-6-11-24)19-8-7-9-23(16-19)37-28(32)20-14-21(29(33)34)17-22(15-20)30(35)36/h4-6,10-11,14-15,17-19,23,25-27,31H,7-9,12-13,16H2,1-3H3/t18-,19-,23+,25?,26+,27-/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC[C@H]([C@@H]2CC(=O)NCC3=CC=CC=C3)O)(C)CO)OC(=O)NC4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C29H36Cl2N2O5/c1-28-13-12-25(38-27(37)33-19-8-9-21(30)22(31)14-19)29(2,17-34)24(28)11-10-23(35)20(28)15-26(36)32-16-18-6-4-3-5-7-18/h3-9,14,20,23-25,34-35H,10-13,15-17H2,1-2H3,(H,32,36)(H,33,37)/t20-,23+,24-,25+,28-,29-/m0/s1
SMILES: CC(C)(C)OC(=O)N1C[C@H]2C[C@@]23C1=CC(=O)C4=CC=CC=C34
InChI: InChI=1S/C18H19NO3/c1-17(2,3)22-16(21)19-10-11-9-18(11)13-7-5-4-6-12(13)14(20)8-15(18)19/h4-8,11H,9-10H2,1-3H3/t11-,18-/m1/s1
SMILES: C1CN(C(=O)NC1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O.C1[C@H](O[C@H]([C@H]1F)N2C=CC(=NC2=O)N)CO
InChI: InChI=1S/C9H12FN3O3.C9H16N2O6/c10-6-3-5(4-14)16-8(6)13-2-1-7(11)12-9(13)15;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,5-6,8,14H,3-4H2,(H2,11,12,15);4-8,12-15H,1-3H2,(H,10,16)/t5-,6-,8+;4-,5?,6-,7-,8-/m01/s1
SMILES: CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)C3C=CC2[C@@H]4[C@H]3C(=O)N(C4=O)C(C)(C)C
InChI: InChI=1S/C20H26N2O4/c1-19(2,3)21-15(23)11-9-7-8-10(12(11)16(21)24)14-13(9)17(25)22(18(14)26)20(4,5)6/h7-14H,1-6H3/t9?,10?,11-,12+,13+,14-
SMILES: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N/N=C/C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C23H27ClN2O8/c1-12-9-15(24)5-8-17(12)32-13(2)22(31)26-25-10-14-3-6-16(7-4-14)33-23-21(30)20(29)19(28)18(11-27)34-23/h3-10,13,18-21,23,27-30H,11H2,1-2H3,(H,26,31)/b25-10+/t13?,18-,19-,20+,21-,23-/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)C6=CC=CC=C6)CCCCO)CCCCO)OCC=C)N(CCOCCO)C(=O)C7=CC=C(C=C7)C#N
InChI: InChI=1S/C55H65N3O9/c1-5-31-64-55-50(58(27-32-63-33-30-61)53(62)41-19-17-38(37-56)18-20-41)36-48(57-67-54(2,3)4)46-34-42(15-9-11-28-59)45(16-10-12-29-60)51(52(46)55)47-35-44(25-26-49(47)66-55)65-43-23-21-40(22-24-43)39-13-7-6-8-14-39/h5-8,13-14,17-26,34-35,42,45,50-52,59-61H,1,9-12,15-16,27-33,36H2,2-4H3/t42-,45+,50-,51+,52+,55+/m0/s1
SMILES: C1[C@@H]([C@H](CN1CC2C=NC3=C2N=CN=C3N)O)CSC4=CC(=CC=C4)Cl
InChI: InChI=1S/C18H20ClN5OS/c19-13-2-1-3-14(4-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10-12,15,25H,6-9H2,(H2,20,22,23)/t11?,12-,15+/m1/s1
SMILES: C[C@]12C3=CC4=C(C1=CC=C5[C@@]2(C(=C6CCC(=O)C6=C5)C=C3)C)CCC4=O
InChI: InChI=1S/C24H20O2/c1-23-13-3-8-20-16-6-10-22(26)18(16)12-14(24(20,23)2)4-7-19(23)15-5-9-21(25)17(15)11-13/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3/t23-,24+
SMILES: CC1=CC=C(C=C1)S(=O)[C@H]2[C@@H]([C@H]([C@@H]3[C@H](O2)CO[C@@H](O3)C4=CC=CC=C4)O)OCC5=CC=CC=C5
InChI: InChI=1S/C27H28O6S/c1-18-12-14-21(15-13-18)34(29)27-25(30-16-19-8-4-2-5-9-19)23(28)24-22(32-27)17-31-26(33-24)20-10-6-3-7-11-20/h2-15,22-28H,16-17H2,1H3/t22-,23+,24+,25-,26+,27+,34?/m1/s1
SMILES: C1C=C2[C@H]([C@@H]3[C@H]1C(=O)OC3=O)SC4C5C(CC=C4S2)C(=O)OC5=O
InChI: InChI=1S/C16H12O6S2/c17-13-5-1-3-7-11(9(5)15(19)21-13)24-12-8(23-7)4-2-6-10(12)16(20)22-14(6)18/h3-6,9-12H,1-2H2/t5-,6?,9-,10?,11+,12?/m0/s1
SMILES: CCCCOC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@@H](CC[C@]34C)OCC)C
InChI: InChI=1S/C26H42O4/c1-5-7-16-29-24(27)30-23-11-10-21-20-9-8-18-17-19(28-6-2)12-14-25(18,3)22(20)13-15-26(21,23)4/h17,19-23H,5-16H2,1-4H3/t19-,20+,21+,22+,23+,25+,26+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H21NO10/c1-6(17)22-5-10-11(23-7(2)18)12(24-8(3)19)13(25-9(4)20)14(26-10)15(16)21/h10-14H,5H2,1-4H3,(H2,16,21)/t10-,11-,12+,13-,14-/m1/s1
SMILES: CCOC(=O)C1=C(NC2=C([C@H]1C3=CC=C(C=C3)OC)C(=O)[C@H]([C@H](C2)C)C(=O)OC)C
InChI: InChI=1S/C23H27NO6/c1-6-30-23(27)18-13(3)24-16-11-12(2)17(22(26)29-5)21(25)20(16)19(18)14-7-9-15(28-4)10-8-14/h7-10,12,17,19,24H,6,11H2,1-5H3/t12-,17-,19-/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)CCCCCNC(=O)C)CSC4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C35H42N2O7S/c1-23-31(22-45-30-17-15-28(16-18-30)34(41)42)43-35(44-33(23)27-11-9-26(21-38)10-12-27)29-13-7-25(8-14-29)20-37-32(40)6-4-3-5-19-36-24(2)39/h7-18,23,31,33,35,38H,3-6,19-22H2,1-2H3,(H,36,39)(H,37,40)(H,41,42)/t23-,31+,33+,35+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)C
InChI: InChI=1S/C24H29N3OS/c1-16-11-13-19(14-12-16)27-22-10-5-4-8-21(22)26-24(27)29-15-23(28)25-20-9-6-7-17(2)18(20)3/h4-5,8,10-14,17-18,20H,6-7,9,15H2,1-3H3,(H,25,28)/t17-,18+,20-/m1/s1
SMILES: CC(C)C[C@H]1[C@@H](OC(N1C(=O)OC(C)(C)C)(C)C)C(=O)O
InChI: InChI=1S/C15H27NO5/c1-9(2)8-10-11(12(17)18)20-15(6,7)16(10)13(19)21-14(3,4)5/h9-11H,8H2,1-7H3,(H,17,18)/t10-,11+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CC[P+](=O)[O-])C
InChI: InChI=1S/C10H17O6P/c1-10(2)15-7-6(4-5-17(11)12)14-9(13-3)8(7)16-10/h6-9H,4-5H2,1-3H3/t6-,7-,8-,9-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)NCCC4=CN=CN4)CO)O
InChI: InChI=1S/C15H19N7O4/c23-5-10-9(24)3-11(26-10)22-7-19-12-13(20-15(25)21-14(12)22)17-2-1-8-4-16-6-18-8/h4,6-7,9-11,23-24H,1-3,5H2,(H,16,18)(H2,17,20,21,25)/t9-,10+,11+/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)OCC=C)C2=CC=CC3=C2CC4=CC=CC=C43)CCCO
InChI: InChI=1S/C27H30O5/c1-3-15-31-26(29)25-17-24(22(13-8-14-28)27(32-25)30-4-2)21-12-7-11-20-19-10-6-5-9-18(19)16-23(20)21/h3,5-7,9-12,17,22,24,27-28H,1,4,8,13-16H2,2H3/t22-,24-,27-/m0/s1
SMILES: CCC(CC)(C1=CN(N=N1)C[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H29N5O4/c1-3-20(4-2,22-19(29)13-8-6-5-7-9-13)16-11-25(24-23-16)10-14-17(27)18(28)15(12-26)21-14/h5-9,11,14-15,17-18,21,26-28H,3-4,10,12H2,1-2H3,(H,22,29)/t14-,15-,17-,18-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@]2([C@H](C[C@@H]([C@]3(C2CC[C@@]4(C3CC=C5[C@]4(CC[C@@]6([C@H]5C[C@](CC6)(C)C(=O)O)C)C)C)C)O)O)C)O)O)OC(=O)C
InChI: InChI=1S/C38H60O10/c1-20-30(48-21(2)39)28(42)29(43)31(47-20)46-19-35(5)24-11-12-37(7)25(38(24,8)27(41)17-26(35)40)10-9-22-23-18-34(4,32(44)45)14-13-33(23,3)15-16-36(22,37)6/h9,20,23-31,40-43H,10-19H2,1-8H3,(H,44,45)/t20-,23-,24?,25?,26-,27-,28-,29+,30-,31+,33+,34+,35-,36+,37+,38-/m0/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]4[C@H]([C@@]3(C2=C)OC)N4)N
InChI: InChI=1S/C14H15N3O3/c1-5-9(15)12(19)8-6(2)14(20-3)13-7(16-13)4-17(14)10(8)11(5)18/h7,13,16H,2,4,15H2,1,3H3/t7-,13-,14-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1CCN2[C@@H]1[C@@H]([C@@H](C2)O)O
InChI: InChI=1S/C16H33NO3Si/c1-10(2)21(11(3)4,12(5)6)20-14-7-8-17-9-13(18)16(19)15(14)17/h10-16,18-19H,7-9H2,1-6H3/t13-,14-,15+,16-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=C(C=C7)OC)O)C(=O)N(C5=O)C8=CC=C(C=C8)C(=O)C
InChI: InChI=1S/C42H37N3O7/c1-23-9-13-27(14-10-23)43-45-39(49)34-22-33-30(19-20-32-36(33)40(50)44(38(32)48)28-15-11-25(12-16-28)24(2)46)37(31-18-17-29(52-3)21-35(31)47)42(34,41(45)51)26-7-5-4-6-8-26/h4-19,21,32-34,36-37,43,47H,20,22H2,1-3H3/t32-,33+,34-,36-,37+,42+/m0/s1