EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
InChI: InChI=1S/C40H46N2O6/c1-40(2,3)48-39(46)41-34(23-27-12-6-4-7-13-27)35(43)25-31(38(45)42-37-33-17-11-10-16-30(33)24-36(37)44)22-28-18-20-32(21-19-28)47-26-29-14-8-5-9-15-29/h4-21,31,34-37,43-44H,22-26H2,1-3H3,(H,41,46)(H,42,45)/t31-,34+,35+,36-,37+/m1/s1
SMILES: C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)N)SC2)C(=O)O
InChI: InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/p+1/b23-12+/t13-,17-/m1/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@@H]4[C@H]([C@H]3C5=C(C=CC6=CC=CC=C65)O)C(=O)N(C4=O)C
InChI: InChI=1S/C26H24N2O5/c1-27-23(30)15-9-8-14-16(19(15)25(27)32)11-17-22(26(33)28(2)24(17)31)21(14)20-13-6-4-3-5-12(13)7-10-18(20)29/h3-8,10,15-17,19,21-22,29H,9,11H2,1-2H3/t15-,16+,17+,19-,21+,22+/m0/s1
SMILES: CC1(C=COC2=C(O1)C=CC3=C2NC(=O)[C@@]34C[C@@]56CN7[C@@H]([C@H](CC[C@]7(C[C@H]5C4(C)C)C(=O)N6C)I)C#N)C
InChI: InChI=1S/C29H33IN4O4/c1-25(2)10-11-37-22-19(38-25)7-6-16-21(22)32-23(35)29(16)14-28-15-34-18(13-31)17(30)8-9-27(34,24(36)33(28)5)12-20(28)26(29,3)4/h6-7,10-11,17-18,20H,8-9,12,14-15H2,1-5H3,(H,32,35)/t17-,18+,20-,27-,28+,29+/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCSC6=CC=CC=C6)OCC=C)CCCCO)CCCCO)C(=O)CCC7CCCC7
InChI: InChI=1S/C53H69N3O9S/c1-3-28-55(50(59)27-22-38-14-8-9-15-38)49-36-47(54-64-37-39-20-23-41(24-21-39)56(60)61)45-34-40(16-10-12-29-57)44(19-11-13-30-58)51-46-35-42(62-32-33-66-43-17-6-5-7-18-43)25-26-48(46)65-53(49,52(45)51)63-31-4-2/h4-7,17-18,20-21,23-26,34-35,38,40,44,49,51-52,57-58H,2-3,8-16,19,22,27-33,36-37H2,1H3/t40-,44+,49-,51+,52+,53+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)N=[N+]=[N-]
InChI: InChI=1S/C10H15N5O10P2/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(24-8)4-23-27(21,22)25-26(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,12,16,17)(H2,18,19,20)/t6-,7+,8-/m0/s1
SMILES: C1=CC2=C(C=C1Cl)N(C(=S)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C12H13ClN2O4S/c13-5-1-2-6-7(3-5)15(12(20)14-6)11-10(18)9(17)8(4-16)19-11/h1-3,8-11,16-18H,4H2,(H,14,20)/t8-,9-,10-,11-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C(OC)OC)C
InChI: InChI=1S/C29H27NO4/c1-16-13-14-18(15-17(16)2)30-26(31)24-23-19-9-5-7-11-21(19)29(25(24)27(30)32,28(33-3)34-4)22-12-8-6-10-20(22)23/h5-15,23-25,28H,1-4H3/t23?,24-,25+,29?/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4(C3(C[C@@H](C4C5=COC(=O)C=C5)OC(=O)C)O)C)C
InChI: InChI=1S/C28H38O7/c1-16(29)34-20-9-11-26(3)19(13-20)6-7-22-21(26)10-12-27(4)25(18-5-8-24(31)33-15-18)23(35-17(2)30)14-28(22,27)32/h5,8,15,19-23,25,32H,6-7,9-14H2,1-4H3/t19-,20+,21+,22-,23+,25?,26+,27-,28?/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]3[C@H]4C[C@@H]([C@H]2[C@]35[C@H](OC(=O)N5C4)CO[Si](C)(C)C(C)(C)C)C#N
InChI: InChI=1S/C26H37N3O5SSi/c1-17-7-9-20(10-8-17)35(31,32)29-12-11-21-19-13-18(14-27)23(29)26(21)22(34-24(30)28(26)15-19)16-33-36(5,6)25(2,3)4/h7-10,18-19,21-23H,11-13,15-16H2,1-6H3/t18-,19+,21-,22-,23+,26-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CCCC(=O)OCC2=CC=C(C=C2)CO[N+](=O)[O-])CC[C@H](COC3=CC(=CC=C3)Cl)O)O
InChI: InChI=1S/C30H38ClNO9/c31-23-6-5-7-25(16-23)39-20-24(33)14-15-27-26(28(34)17-29(27)35)8-3-1-2-4-9-30(36)40-18-21-10-12-22(13-11-21)19-41-32(37)38/h1,3,5-7,10-13,16,24,26-29,33-35H,2,4,8-9,14-15,17-20H2/b3-1-/t24-,26-,27-,28+,29-/m1/s1
SMILES: CCSC1=C(C=C2C(=C1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@H](CCCN3)OC)Br.Br.Br
InChI: InChI=1S/C19H24BrN3O3S.2BrH/c1-3-27-18-8-13-15(9-14(18)20)22-11-23(19(13)25)10-12(24)7-16-17(26-2)5-4-6-21-16;;/h8-9,11,16-17,21H,3-7,10H2,1-2H3;2*1H/t16-,17+;;/m1../s1
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)N3[C@@H]([C@H](N=C3C4=CC=CC=C4P(C5=CC(=CC(=C5)F)F)C6=CC(=CC(=C6)F)F)C7=CC(=CC(=C7)F)F)C8=CC(=CC(=C8)F)F
InChI: InChI=1S/C44H25F8N2OP/c45-29-12-27(13-30(46)16-29)41-42(28-14-31(47)17-32(48)15-28)54(44(55)26-10-9-24-5-1-2-6-25(24)11-26)43(53-41)39-7-3-4-8-40(39)56(37-20-33(49)18-34(50)21-37)38-22-35(51)19-36(52)23-38/h1-23,41-42H/t41-,42-/m1/s1
SMILES: C[C@@H]1CCCC/C=C/C(=O)[C@@]23[C@@H]([C@@H](C(=CC2/C=C/C1)C)C)[C@@H](NC3=O)CC4=CC=CC=C4
InChI: InChI=1S/C29H37NO2/c1-20-12-7-4-5-10-17-26(31)29-24(16-11-13-20)18-21(2)22(3)27(29)25(30-28(29)32)19-23-14-8-6-9-15-23/h6,8-11,14-18,20,22,24-25,27H,4-5,7,12-13,19H2,1-3H3,(H,30,32)/b16-11+,17-10+/t20-,22-,24?,25+,27+,29-/m1/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C
InChI: InChI=1S/C21H24N2O5/c1-12-8-9-17(13(2)10-12)22-18(24)11-28-21(27)14(3)23-19(25)15-6-4-5-7-16(15)20(23)26/h4-5,8-10,14-16H,6-7,11H2,1-3H3,(H,22,24)/t14-,15+,16+/m0/s1
SMILES: C1C[C@H]2CN[C@@H](C[C@@H]2C[C@H]1NC3=CC=CC=C3C4=NNN=N4)C(=O)O
InChI: InChI=1S/C17H22N6O2/c24-17(25)15-8-11-7-12(6-5-10(11)9-18-15)19-14-4-2-1-3-13(14)16-20-22-23-21-16/h1-4,10-12,15,18-19H,5-9H2,(H,24,25)(H,20,21,22,23)/t10-,11-,12-,15-/m0/s1
SMILES: C/C=C(/CN(CC1=CC=CC=C1)C(=O)CS(=O)C2=CC=CC=C2)\[C@@H]3CCC4=C([C@H]3C(=O)OC)C5=CC=CC=C5N4C
InChI: InChI=1S/C34H36N2O4S/c1-4-25(27-19-20-30-32(33(27)34(38)40-3)28-17-11-12-18-29(28)35(30)2)22-36(21-24-13-7-5-8-14-24)31(37)23-41(39)26-15-9-6-10-16-26/h4-18,27,33H,19-23H2,1-3H3/b25-4-/t27-,33-,41?/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H](C=C1C)C=C(C)C)C(=O)OCC[NH+](C)C)C(=O)[O-]
InChI: InChI=1S/C18H29NO4/c1-11(2)9-14-10-12(3)13(4)15(17(20)21)16(14)18(22)23-8-7-19(5)6/h9-10,13-16H,7-8H2,1-6H3,(H,20,21)/t13-,14+,15+,16+/m0/s1
SMILES: CC(C)(C)C(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)N2C(=NC(=N2)Cl)Cl
InChI: InChI=1S/C22H33Cl2N3O7/c1-20(2,3)15(28)32-11-10-31-14(27-19(24)25-18(23)26-27)13(34-17(30)22(7,8)9)12(11)33-16(29)21(4,5)6/h11-14H,10H2,1-9H3/t11-,12+,13-,14-/m1/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@](C2)(CN3CCCC3=O)O)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C
InChI: InChI=1S/C28H40N2O4S/c1-25(2)22-10-12-27(25,28(32,18-22)19-29-15-5-8-24(29)31)20-35(33,34)30-16-13-26(14-17-30)11-9-21-6-3-4-7-23(21)26/h3-4,6-7,22,32H,5,8-20H2,1-2H3/t22-,27+,28-/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC(F)F)OC
InChI: InChI=1S/C16H19F2NO5/c1-9-5-11(9)15(21)23-8-14(20)19-7-10-3-4-12(24-16(17)18)13(6-10)22-2/h3-4,6,9,11,16H,5,7-8H2,1-2H3,(H,19,20)/t9-,11+/m1/s1
SMILES: C1[C@H]([C@@H]([C@@H](C=C1C(=O)N[C@@H](CC2=CC=CS2)C(=O)N)NC(=O)C3=CN=CC=C3)O)O
InChI: InChI=1S/C20H22N4O5S/c21-18(27)15(9-13-4-2-6-30-13)24-20(29)12-7-14(17(26)16(25)8-12)23-19(28)11-3-1-5-22-10-11/h1-7,10,14-17,25-26H,8-9H2,(H2,21,27)(H,23,28)(H,24,29)/t14-,15+,16-,17-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](N=C(NC1=O)C2=CC=CC=C2)C3=C(C=CC=C3Cl)F
InChI: InChI=1S/C19H16ClFN2O3/c1-2-26-19(25)15-16(14-12(20)9-6-10-13(14)21)22-17(23-18(15)24)11-7-4-3-5-8-11/h3-10,15-16H,2H2,1H3,(H,22,23,24)/t15-,16+/m1/s1
SMILES: CC[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=C(C=C3)N(C)C)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C19H25N3O4/c1-6-19(18(25)26-5)14-13(16(23)22(4)17(14)24)15(20-19)11-7-9-12(10-8-11)21(2)3/h7-10,13-15,20H,6H2,1-5H3/t13-,14+,15-,19-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C5(CCC5)C)C)O)F)C)F
InChI: InChI=1S/C28H35F3O5S/c1-15-10-17-18-12-20(30)19-11-16(32)6-9-25(19,3)27(18,31)21(33)13-26(17,4)28(15,23(35)37-14-29)36-22(34)24(2)7-5-8-24/h6,9,11,15,17-18,20-21,33H,5,7-8,10,12-14H2,1-4H3/t15-,17+,18+,20+,21+,25+,26+,27+,28+/m1/s1
SMILES: COC1=CC2=CC=CC=C2C=C1C(=O)OCC(=O)N3CCC[C@H]4[C@@H]3CCCC4
InChI: InChI=1S/C23H27NO4/c1-27-21-14-18-9-3-2-8-17(18)13-19(21)23(26)28-15-22(25)24-12-6-10-16-7-4-5-11-20(16)24/h2-3,8-9,13-14,16,20H,4-7,10-12,15H2,1H3/t16-,20-/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)NC(=O)CCCC(=O)O)CN4CCC[C@H]4C(=O)OC(C)(C)C
InChI: InChI=1S/C33H44N2O8/c1-21-27(19-35-17-7-10-26(35)31(40)43-33(2,3)4)41-32(42-30(21)23-15-13-22(20-36)14-16-23)24-8-5-9-25(18-24)34-28(37)11-6-12-29(38)39/h5,8-9,13-16,18,21,26-27,30,32,36H,6-7,10-12,17,19-20H2,1-4H3,(H,34,37)(H,38,39)/t21-,26-,27+,30+,32+/m0/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3CN(C)CCC4=CC=CC=N4
InChI: InChI=1S/C23H32N2O2/c1-16-7-6-10-23(2)14-21-18(13-20(16)23)19(22(26)27-21)15-25(3)12-9-17-8-4-5-11-24-17/h4-5,8,11,18-21H,1,6-7,9-10,12-15H2,2-3H3/t18-,19-,20+,21+,23-/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=CC=C4)Cl)O)O
InChI: InChI=1S/C19H21ClN6O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=CO7)C
InChI: InChI=1S/C45H48N2O5/c1-31-11-9-24-44(2)40(38-22-20-32(27-36(48)21-19-31)28-39(38)42(49)41-18-10-26-52-41)23-25-45(44,51)30-47(43(50)46-35-15-4-3-5-16-35)29-34-14-8-13-33-12-6-7-17-37(33)34/h3-8,10-18,20,22,26,28,36,40,48,51H,9,19,21,23-25,27,29-30H2,1-2H3,(H,46,50)/t36-,40-,44-,45+/m0/s1
SMILES: C[C@]1\2CC[C@@H]3[C@@H]([C@H]1CC/C2=N\NC(=S)N)CC[C@@H]4[C@@]3(CC=CC4)C
InChI: InChI=1S/C20H31N3S/c1-19-11-4-3-5-13(19)6-7-14-15-8-9-17(22-23-18(21)24)20(15,2)12-10-16(14)19/h3-4,13-16H,5-12H2,1-2H3,(H3,21,23,24)/b22-17+/t13-,14-,15-,16-,19+,20+/m1/s1
SMILES: CC1=CC=C(S1)C(=O)C2=C[C@]34CC(CC[C@@]3([C@@H]5[C@]2(C=C4)[C@@H]6CC[C@]([C@]6(CC5)C)(CN7CCN(CC7)C8=CC=CC=C8OC)O)C)O
InChI: InChI=1S/C39H50N2O4S/c1-26-9-10-31(46-26)34(43)28-24-37-17-18-39(28)32(35(37,2)14-11-27(42)23-37)12-15-36(3)33(39)13-16-38(36,44)25-40-19-21-41(22-20-40)29-7-5-6-8-30(29)45-4/h5-10,17-18,24,27,32-33,42,44H,11-16,19-23,25H2,1-4H3/t27?,32-,33-,35-,36+,37+,38-,39-/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)C=NN5C6=CC=CC=C6)C
InChI: InChI=1S/C30H36N2O4/c1-17-10-21-23-11-18(2)30(36,26(35)16-33)29(23,4)14-25(34)27(21)28(3)13-19-15-31-32(24(19)12-22(17)28)20-8-6-5-7-9-20/h5-10,12,15,18,21,23,25,27,33-34,36H,11,13-14,16H2,1-4H3/t18-,21+,23+,25+,27-,28+,29+,30+/m1/s1
SMILES: CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C20H21NO4/c1-2-3-10-25-20(24)12-6-8-15(9-7-12)21-18(22)16-13-4-5-14(11-13)17(16)19(21)23/h4-9,13-14,16-17H,2-3,10-11H2,1H3/t13-,14+,16-,17+
SMILES: COC1=C(C=C(C=C1)Br)[C@H]2[C@@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)Cl
InChI: InChI=1S/C19H17BrClNO/c1-23-18-8-5-11(20)9-16(18)19-14-4-2-3-13(14)15-10-12(21)6-7-17(15)22-19/h2-3,5-10,13-14,19,22H,4H2,1H3/t13-,14+,19+/m0/s1
SMILES: CN1C(=O)[C@H]2[C@@H](C1=O)ON3[C@]2(CC4=CC=CC=C43)C5=CC=CC=C5
InChI: InChI=1S/C19H16N2O3/c1-20-17(22)15-16(18(20)23)24-21-14-10-6-5-7-12(14)11-19(15,21)13-8-3-2-4-9-13/h2-10,15-16H,11H2,1H3/t15-,16+,19-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])OC(C5=CC=C(C=C5)C#N)O)N=[N+]=[N-]
InChI: InChI=1S/C28H30N11O11P/c1-14-10-38(27(43)32-24(14)40)22-7-18(34-36-30)20(48-22)12-46-51(45,50-26(42)17-5-3-16(9-29)4-6-17)47-13-21-19(35-37-31)8-23(49-21)39-11-15(2)25(41)33-28(39)44/h3-6,10-11,18-23,26,42H,7-8,12-13H2,1-2H3,(H,32,40,43)(H,33,41,44)/t18-,19-,20+,21+,22+,23+,26?/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]([C@@]3(CC2)C)(CCC5[C@@]4(CC6=C(C5(C)C)NC7=CC=CC=C67)C)C)C(=O)O
InChI: InChI=1S/C36H49NO2/c1-21(2)22-14-17-36(31(38)39)19-18-34(6)25(29(22)36)12-13-28-33(5)20-24-23-10-8-9-11-26(23)37-30(24)32(3,4)27(33)15-16-35(28,34)7/h8-11,22,25,27-29,37H,1,12-20H2,2-7H3,(H,38,39)/t22-,25?,27?,28?,29?,33-,34+,35+,36-/m0/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@H](O1)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)F)[N+](=O)[O-])O)O)O
InChI: InChI=1S/C17H17FN2O7/c18-9-1-3-12(4-2-9)27-13-6-10(5-11(7-13)20(24)25)19-17-16(23)15(22)14(21)8-26-17/h1-7,14-17,19,21-23H,8H2/t14-,15-,16+,17+/m1/s1
SMILES: CC1(O[C@H]([C@H](O1)[C@@H](C#C)O)/C=N/OCC2=CC=CC=C2)C
InChI: InChI=1S/C16H19NO4/c1-4-13(18)15-14(20-16(2,3)21-15)10-17-19-11-12-8-6-5-7-9-12/h1,5-10,13-15,18H,11H2,2-3H3/b17-10+/t13-,14+,15-/m1/s1
SMILES: CC(C)[C@@H]1[C@H](N[C@H](CC1=O)C2=CC=CO2)C3=CC=CO3
InChI: InChI=1S/C16H19NO3/c1-10(2)15-12(18)9-11(13-5-3-7-19-13)17-16(15)14-6-4-8-20-14/h3-8,10-11,15-17H,9H2,1-2H3/t11-,15+,16-/m1/s1
SMILES: C1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@@H](C3C=CC2C=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C20H18O4S2/c21-25(22,17-7-3-1-4-8-17)19-15-11-13-16(14-12-15)20(19)26(23,24)18-9-5-2-6-10-18/h1-16,19-20H/t15?,16?,19-,20+
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C5=CC=CC=C5C=C4)O)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C9=NC1=CC=CC=C1O9
InChI: InChI=1S/C43H24Cl2F5N3O6/c44-42-17-25-22(15-16-23-28(25)39(56)52(38(23)55)20-12-9-19(10-13-20)37-51-26-7-3-4-8-27(26)59-37)29(24-14-11-18-5-1-2-6-21(18)36(24)54)43(42,45)41(58)53(40(42)57)35-33(49)31(47)30(46)32(48)34(35)50/h1-15,23,25,28-29,54H,16-17H2/t23-,25+,28-,29+,42+,43-/m0/s1
SMILES: C1=NC2=C(N1)C(=NC=N2)N[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)[C@H](CO)O)N)O)O
InChI: InChI=1S/C12H18N6O5/c13-5-7(21)8(22)12(23-9(5)4(20)1-19)18-11-6-10(15-2-14-6)16-3-17-11/h2-5,7-9,12,19-22H,1,13H2,(H2,14,15,16,17,18)/t4-,5+,7+,8+,9-,12-/m0/s1
SMILES: CCS[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H34O4S/c1-3-34-29-28(32-21-25-17-11-6-12-18-25)27(31-20-24-15-9-5-10-16-24)26(22(2)33-29)30-19-23-13-7-4-8-14-23/h4-18,22,26-29H,3,19-21H2,1-2H3/t22-,26-,27+,28-,29-/m0/s1
SMILES: C1[C@H](C[C@H]([C@@H]1NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC(=C(C(=C3)O)C(=O)C4=C(C=CC=C4O)C(=O)O)O)CO
InChI: InChI=1S/C28H25NO11/c30-12-13-8-18(29-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,30-34H,8-9,12H2,(H,29,36)(H,37,38)/t13-,18-,22-/m1/s1
SMILES: CCC(CC)(CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OC)O
InChI: InChI=1S/C30H50O4/c1-7-30(33,8-2)18-10-17-29(5,34-6)27-15-14-25-22(11-9-16-28(25,27)4)12-13-23-19-24(31)20-26(32)21(23)3/h12-13,24-27,31-33H,3,7-11,14-20H2,1-2,4-6H3/b22-12+,23-13-/t24-,25+,26+,27+,28+,29+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O/C(=C/[N+]#N)/O)C(C)(C)C2=CC=CC=C2
InChI: InChI=1S/C18H24N2O2/c1-13-9-10-15(16(11-13)22-17(21)12-20-19)18(2,3)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/p+1/b17-12+/t13-,15-,16-/m1/s1
SMILES: C[C@@H](C(=O)OCC1=C(C=CC(=C1)C(=O)C)OC)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C21H23NO6/c1-12(22-19(24)16-6-4-5-7-17(16)20(22)25)21(26)28-11-15-10-14(13(2)23)8-9-18(15)27-3/h4-5,8-10,12,16-17H,6-7,11H2,1-3H3/t12-,16+,17+/m0/s1
SMILES: CC[C@]1([C@H]2[C@@]1(C(=O)OC3=CC=CC=C23)C(=O)[O-])C(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C21H18O5/c1-3-20(17(22)13-10-8-12(2)9-11-13)16-14-6-4-5-7-15(14)26-19(25)21(16,20)18(23)24/h4-11,16H,3H2,1-2H3,(H,23,24)/p-1/t16-,20-,21-/m0/s1
SMILES: CN1[C@H]2CCC[C@H]([C@]2([C@H](C1=O)SC3=CC=CC=C3)C4=CC=CC=C4)Cl
InChI: InChI=1S/C21H22ClNOS/c1-23-18-14-8-13-17(22)21(18,15-9-4-2-5-10-15)19(20(23)24)25-16-11-6-3-7-12-16/h2-7,9-12,17-19H,8,13-14H2,1H3/t17-,18+,19+,21-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)N[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C19H26N2O2/c1-12-7-9-15(10-8-12)21-18(22)11-17(19(21)23)20-16-6-4-5-13(2)14(16)3/h7-10,13-14,16-17,20H,4-6,11H2,1-3H3/t13-,14-,16+,17+/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)NC2=CC=C(C=C2)Cl)OC(=O)NC3=CC=CC(=C3)C#N)OC(=O)NC4=CC=C(C=C4)C(F)(F)F)OCC5=CC=C(C=C5)C
InChI: InChI=1S/C39H36ClF3N4O9/c1-3-51-35-34(52-21-24-9-7-23(2)8-10-24)33(56-37(49)46-28-15-11-26(12-16-28)39(41,42)43)32(55-38(50)47-30-6-4-5-25(19-30)20-44)31(54-35)22-53-36(48)45-29-17-13-27(40)14-18-29/h4-19,31-35H,3,21-22H2,1-2H3,(H,45,48)(H,46,49)(H,47,50)/t31-,32-,33+,34-,35-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC(=C3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C38H64N4O13Si/c1-33(2,3)52-29(44)41(30(45)53-34(4,5)6)26-23(27(43)42(31(46)54-35(7,8)9)32(47)55-36(10,11)12)39-21-40(26)28-25-24(50-38(16,17)51-25)22(49-28)20-48-56(18,19)37(13,14)15/h21-22,24-25,28H,20H2,1-19H3/t22-,24-,25-,28-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)N(C)CC3=CC=CC=C3F
InChI: InChI=1S/C21H26FN3O5/c1-14-7-5-6-10-21(14)19(28)25(20(29)23-21)12-18(27)30-13-17(26)24(2)11-15-8-3-4-9-16(15)22/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,23,29)/t14-,21-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2C(=O)C(=O)N(C2=O)C
InChI: InChI=1S/C14H21N3O4/c1-8-5-4-6-10(9(8)2)15-11(18)7-17-13(20)12(19)16(3)14(17)21/h8-10H,4-7H2,1-3H3,(H,15,18)/t8-,9-,10+/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC5(CC[C@]34C)CC5)C
InChI: InChI=1S/C23H34O/c1-15(24)18-6-7-19-17-5-4-16-14-23(12-13-23)11-10-21(16,2)20(17)8-9-22(18,19)3/h14,17-20H,4-13H2,1-3H3/t17-,18+,19-,20-,21-,22+/m0/s1
SMILES: CN1CC[C@]23[C@@H]4CCC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O
InChI: InChI=1S/C18H23NO3/c1-19-9-8-17-14-4-3-7-18(17,20)13(19)10-11-5-6-12(21-2)16(22-14)15(11)17/h5-6,13-14,20H,3-4,7-10H2,1-2H3/t13-,14+,17-,18-/m1/s1
SMILES: CC[Si](CC)(CC)C#CC[C@]1([C@H](CC[C@H]1C(C)(C)O)C)O
InChI: InChI=1S/C18H34O2Si/c1-7-21(8-2,9-3)14-10-13-18(20)15(4)11-12-16(18)17(5,6)19/h15-16,19-20H,7-9,11-13H2,1-6H3/t15-,16-,18+/m0/s1
SMILES: C[C@@]12CC[C@@H](C[C@H]1[C@]([C@@H](CC2)OS(=O)(=O)C)(C)O)C(C)(C)O
InChI: InChI=1S/C16H30O5S/c1-14(2,17)11-6-8-15(3)9-7-13(21-22(5,19)20)16(4,18)12(15)10-11/h11-13,17-18H,6-10H2,1-5H3/t11-,12+,13+,15-,16-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)C4=CSC=C4)C)[C@H](C)C(=O)N5CCOCC5)O
InChI: InChI=1S/C24H32N2O3S2/c1-14(23(28)26-7-9-29-10-8-26)17-4-6-24(3)12-18-20(15(2)19(24)21(17)27)25-22(31-18)16-5-11-30-13-16/h5,11,13-15,17,19,21,27H,4,6-10,12H2,1-3H3/t14-,15-,17-,19+,21-,24-/m0/s1
SMILES: CC(=C)[C@H]1CN([C@H]([C@@H]1CC(=O)O)C(=O)OC)C(=O)OC=C
InChI: InChI=1S/C14H19NO6/c1-5-21-14(19)15-7-10(8(2)3)9(6-11(16)17)12(15)13(18)20-4/h5,9-10,12H,1-2,6-7H2,3-4H3,(H,16,17)/t9-,10-,12-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)NN=C3C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C20H17N3O4/c1-12-7-9-14(10-8-12)23-18(24)15-16(19(23)25)21-22-17(15)20(26)27-11-13-5-3-2-4-6-13/h2-10,15-16,21H,11H2,1H3/t15-,16+/m1/s1
SMILES: CCOC(=O)C1=CC2=C(N1CC(=O)N[C@@H]3CCCC[C@H]3C)C=CS2
InChI: InChI=1S/C18H24N2O3S/c1-3-23-18(22)15-10-16-14(8-9-24-16)20(15)11-17(21)19-13-7-5-4-6-12(13)2/h8-10,12-13H,3-7,11H2,1-2H3,(H,19,21)/t12-,13-/m1/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)CO)O
InChI: InChI=1S/C18H21N5O5/c1-26-11-4-2-10(3-5-11)7-27-15-14(25)12(6-24)28-18(15)23-9-22-13-16(19)20-8-21-17(13)23/h2-5,8-9,12,14-15,18,24-25H,6-7H2,1H3,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CC=C[C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)NC(=O)C(Cl)(Cl)Cl
InChI: InChI=1S/C20H38Cl3NO3Si2/c1-18(2,3)28(7,8)26-15-13-11-12-14(24-17(25)20(21,22)23)16(15)27-29(9,10)19(4,5)6/h11-12,14-16H,13H2,1-10H3,(H,24,25)/t14-,15-,16+/m0/s1
SMILES: CCCCNC(=O)[C@@H](C[C@H]1[C@@H](N(C(O1)(C)C)C(=O)OCC2=CC=CC=C2)CC3CCCCC3)C(C)C
InChI: InChI=1S/C30H48N2O4/c1-6-7-18-31-28(33)25(22(2)3)20-27-26(19-23-14-10-8-11-15-23)32(30(4,5)36-27)29(34)35-21-24-16-12-9-13-17-24/h9,12-13,16-17,22-23,25-27H,6-8,10-11,14-15,18-21H2,1-5H3,(H,31,33)/t25-,26-,27-/m0/s1
SMILES: C[C@H]1[C@@H](C[C@@H]2C[C@H]1C2(C)C)C(C(CC(=C)CCl)C(=O)OC)C(=O)OC
InChI: InChI=1S/C20H31ClO4/c1-11(10-21)7-15(18(22)24-5)17(19(23)25-6)14-8-13-9-16(12(14)2)20(13,3)4/h12-17H,1,7-10H2,2-6H3/t12-,13+,14+,15?,16+,17?/m0/s1
SMILES: C[C@H](/C=C/C[C@](C)(CO)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C27H42O4/c1-18(7-5-13-26(3,31)17-28)23-11-12-24-20(8-6-14-27(23,24)4)9-10-21-15-22(29)16-25(30)19(21)2/h5,7,9-10,18,22-25,28-31H,2,6,8,11-17H2,1,3-4H3/b7-5+,20-9+,21-10-/t18-,22-,23-,24+,25+,26-,27-/m1/s1
SMILES: CC1([C@H]2CC[C@H]([C@@H]1C2)CN([C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=CC=CC=C45)C(=O)NCCO)C(=O)C6CC6)C
InChI: InChI=1S/C29H38N2O5/c1-29(2)18-10-9-17(21(29)13-18)15-31(28(35)16-7-8-16)22-14-20(27(34)30-11-12-32)24-19-5-3-4-6-23(19)36-26(24)25(22)33/h3-6,14,16-18,21-22,24-26,32-33H,7-13,15H2,1-2H3,(H,30,34)/t17-,18-,21-,22+,24-,25-,26-/m0/s1
SMILES: C[C@@H]1C[C@H]1C(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1S/C14H16Cl2N2O2/c1-8-5-10(8)14(20)18(2)7-13(19)17-9-3-4-11(15)12(16)6-9/h3-4,6,8,10H,5,7H2,1-2H3,(H,17,19)/t8-,10-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)/C=C/C2=CC(=C(C(=C2)Cl)OC)OC
InChI: InChI=1S/C21H28ClNO5/c1-13-6-5-7-17(14(13)2)23-19(24)12-28-20(25)9-8-15-10-16(22)21(27-4)18(11-15)26-3/h8-11,13-14,17H,5-7,12H2,1-4H3,(H,23,24)/b9-8+/t13-,14-,17+/m0/s1
SMILES: C/C=C/[C@@H]1[C@@H]([C@H]([C@@H](O1)CCO)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C23H28O4/c1-2-9-20-22(25-16-18-10-5-3-6-11-18)23(21(27-20)14-15-24)26-17-19-12-7-4-8-13-19/h2-13,20-24H,14-17H2,1H3/b9-2+/t20-,21+,22+,23+/m1/s1
SMILES: CCOC(=O)C1=CSC(=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H22O9S/c1-5-23-18(22)12-6-14(28-8-12)16-17(26-11(4)21)15(25-10(3)20)13(27-16)7-24-9(2)19/h6,8,13,15-17H,5,7H2,1-4H3/t13-,15-,16+,17-/m1/s1
SMILES: C1[C@H]([C@@H](C(=O)N1)C(=O)N/N=C\C2=CC3=C(C=C2Br)OCO3)C4=CC=CC=C4
InChI: InChI=1S/C19H16BrN3O4/c20-14-7-16-15(26-10-27-16)6-12(14)8-22-23-19(25)17-13(9-21-18(17)24)11-4-2-1-3-5-11/h1-8,13,17H,9-10H2,(H,21,24)(H,23,25)/b22-8-/t13-,17-/m0/s1
SMILES: CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)CNC=O
InChI: InChI=1S/C25H45NO5/c1-3-5-7-9-10-11-12-13-14-16-21(30-24(28)19-26-20-27)18-23-22(25(29)31-23)17-15-8-6-4-2/h20-23H,3-19H2,1-2H3,(H,26,27)/t21-,22-,23-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H]([N@+]1(C)CC=C)/C=C/C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C22H26NO/c1-4-17-23(3)18(2)22(20-13-9-6-10-14-20)24-21(23)16-15-19-11-7-5-8-12-19/h4-16,18,21-22H,1,17H2,2-3H3/q+1/b16-15+/t18-,21-,22-,23+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@]34O
InChI: InChI=1S/C20H26O3/c1-3-19(22)10-8-16-15-5-4-13-12-14(21)6-11-20(13,23)17(15)7-9-18(16,19)2/h1,12,15-17,22-23H,4-11H2,2H3/t15-,16-,17-,18-,19-,20+/m0/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.Cl
InChI: InChI=1S/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19-,20+;/m0./s1
SMILES: C1C[C@@H]2C[C@H]2/C(=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C1
InChI: InChI=1S/C13H14N4O4/c18-16(19)9-4-5-12(13(7-9)17(20)21)15-14-11-3-1-2-8-6-10(8)11/h4-5,7-8,10,15H,1-3,6H2/b14-11+/t8-,10-/m1/s1
SMILES: CCOC(=O)OCC(=O)[C@]1([C@H](C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3C[C@H]2C1=C)C)C)O
InChI: InChI=1S/C25H32O6/c1-5-30-23(28)31-13-22(27)25(29)14(2)10-20-18-7-6-16-11-17(26)8-9-24(16,4)21(18)12-19(20)15(25)3/h8-9,11,14,18-21,29H,3,5-7,10,12-13H2,1-2,4H3/t14-,18-,19-,20-,21-,24-,25+/m0/s1
SMILES: CCNC(=O)NC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN4CCN(CC4)C5=NC=CC=N5
InChI: InChI=1S/C30H38N6O4/c1-3-31-30(38)34-25-11-9-24(10-12-25)28-39-26(21(2)27(40-28)23-7-5-22(20-37)6-8-23)19-35-15-17-36(18-16-35)29-32-13-4-14-33-29/h4-14,21,26-28,37H,3,15-20H2,1-2H3,(H2,31,34,38)/t21-,26+,27+,28+/m1/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC5CCCCO5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CCOCCO)C(=O)C7CC7)OCC=C)OC
InChI: InChI=1S/C49H67N3O13/c1-4-24-62-49-43(52(20-26-60-27-23-55)47(56)32-14-15-32)31-40(51-65-44-13-7-10-25-61-44)37-28-33(11-5-8-21-53)36(12-6-9-22-54)45(46(37)49)38-29-35(17-19-41(38)64-49)63-48(57)50-39-18-16-34(58-2)30-42(39)59-3/h4,16-19,28-30,32-33,36,43-46,53-55H,1,5-15,20-27,31H2,2-3H3,(H,50,57)/t33-,36+,43-,44?,45+,46+,49+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)C3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C28H38N2O2/c1-27(2,3)21-15-11-19(12-16-21)25(31)29-23-9-7-8-10-24(23)30-26(32)20-13-17-22(18-14-20)28(4,5)6/h11-18,23-24H,7-10H2,1-6H3,(H,29,31)(H,30,32)/t23-,24+
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4S3
InChI: InChI=1S/C18H22N4OS2/c1-11-6-5-7-13(12(11)2)19-16(23)10-24-17-20-21-18-22(17)14-8-3-4-9-15(14)25-18/h3-4,8-9,11-13H,5-7,10H2,1-2H3,(H,19,23)/t11-,12-,13-/m1/s1
SMILES: COC1([C@@]2([C@@H]3[C@H]([C@]1(C(=C2C#C[Si](C)(C)C)C#C[Si](C)(C)C)Cl)C(=O)N(C3=O)C4=CC=CC=C4)Cl)OC
InChI: InChI=1S/C27H31Cl2NO4Si2/c1-33-27(34-2)25(28)19(14-16-35(3,4)5)20(15-17-36(6,7)8)26(27,29)22-21(25)23(31)30(24(22)32)18-12-10-9-11-13-18/h9-13,21-22H,1-8H3/t21-,22+,25-,26+
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)NC(=O)C=C(C)C)C)C)N(C)C
InChI: InChI=1S/C28H48N2O/c1-18(2)16-26(31)29-21-12-14-27(4)20(17-21)8-9-22-24-11-10-23(19(3)30(6)7)28(24,5)15-13-25(22)27/h16,19-25H,8-15,17H2,1-7H3,(H,29,31)/t19-,20-,21-,22-,23+,24-,25-,27-,28+/m0/s1