EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC1=CC=CC=C1N2C(=O)[C@@H]3[C@H](C2=O)C4([C@@H]5[C@H](C3C(=C4C(=O)OCC)C)C(=O)N(C5=O)C6=CC=CC=C6CC)C
InChI: InChI=1S/C33H34N2O6/c1-6-18-13-9-11-15-20(18)34-28(36)23-22-17(4)25(32(40)41-8-3)33(5,26(23)30(34)38)27-24(22)29(37)35(31(27)39)21-16-12-10-14-19(21)7-2/h9-16,22-24,26-27H,6-8H2,1-5H3/t22?,23-,24-,26+,27+,33?/m0/s1
SMILES: C1CN(CCN1C2=CC=C(C=C2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])C4=C(C(=CC=C4)Cl)Cl
InChI: InChI=1S/C24H25Cl2N3O3/c25-20-6-3-7-21(22(20)26)29-14-12-28(13-15-29)17-10-8-16(9-11-17)27-23(30)18-4-1-2-5-19(18)24(31)32/h1-3,6-11,18-19H,4-5,12-15H2,(H,27,30)(H,31,32)/p-1/t18-,19-/m0/s1
SMILES: C1CC2(C=C[C@@H]1O)O[C@H]([C@@H](O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H20O3/c21-17-11-13-20(14-12-17)22-18(15-7-3-1-4-8-15)19(23-20)16-9-5-2-6-10-16/h1-11,13,17-19,21H,12,14H2/t17-,18-,19-/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC(=O)NCC=C
InChI: InChI=1S/C15H22N4O4/c1-3-8-16-13(22)17-11(20)9-19-12(21)15(18-14(19)23)7-5-4-6-10(15)2/h3,10H,1,4-9H2,2H3,(H,18,23)(H2,16,17,20,22)/t10-,15-/m0/s1
SMILES: CC1(OC[C@@H]2[C@H](O1)CC=CN2S(=O)(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C15H19NO4S/c1-15(2)19-11-13-14(20-15)9-6-10-16(13)21(17,18)12-7-4-3-5-8-12/h3-8,10,13-14H,9,11H2,1-2H3/t13-,14-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H](C1=CC=CC=C1)N2[C@H]3CCC[C@@H]2N[C@H]3C4=CC=CC=N4
InChI: InChI=1S/C25H37N3OSi/c1-25(2,3)30(4,5)29-18-22(19-12-7-6-8-13-19)28-21-15-11-16-23(28)27-24(21)20-14-9-10-17-26-20/h6-10,12-14,17,21-24,27H,11,15-16,18H2,1-5H3/t21-,22-,23+,24-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)F
InChI: InChI=1S/C17H20FN3O2S/c1-11-4-2-3-5-14(11)19-15(22)10-24-17-21-20-16(23-17)12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,19,22)/t11-,14-/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@@H]3CC=C[C@H]3C4=C(N2)C(=CC(=C4)Cl)Cl
InChI: InChI=1S/C21H21Cl2NO3/c1-25-17-7-11(8-18(26-2)21(17)27-3)19-14-6-4-5-13(14)15-9-12(22)10-16(23)20(15)24-19/h4-5,7-10,13-14,19,24H,6H2,1-3H3/t13-,14-,19-/m1/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)N2CCC(CC2)N3CCCCC3)C4=CC=C(C=C4)C(=O)OC)CCOCCOCCO
InChI: InChI=1S/C32H48N2O8/c1-3-41-32-27(13-19-39-21-22-40-20-18-35)28(24-7-9-25(10-8-24)31(37)38-2)23-29(42-32)30(36)34-16-11-26(12-17-34)33-14-5-4-6-15-33/h7-10,23,26-28,32,35H,3-6,11-22H2,1-2H3/t27-,28+,32+/m0/s1
SMILES: CC1=C(C(=CC=C1)OC)[C@@H](CO)N2C(=O)[C@@H]3[C@H](C2=O)N(N=N3)C
InChI: InChI=1S/C15H18N4O4/c1-8-5-4-6-10(23-3)11(8)9(7-20)19-14(21)12-13(15(19)22)18(2)17-16-12/h4-6,9,12-13,20H,7H2,1-3H3/t9-,12+,13-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN2C3=C(C=C(C=C3)Cl)OC2=O
InChI: InChI=1S/C17H20ClN3O4/c1-10-4-2-3-5-12(10)19-16(23)20-15(22)9-21-13-7-6-11(18)8-14(13)25-17(21)24/h6-8,10,12H,2-5,9H2,1H3,(H2,19,20,22,23)/t10-,12-/m1/s1
SMILES: C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
InChI: InChI=1S/C27H44O2/c1-19(18-28)7-5-8-21(3)25-14-15-26-22(9-6-16-27(25,26)4)11-12-23-17-24(29)13-10-20(23)2/h11-12,19,21,24-26,28-29H,2,5-10,13-18H2,1,3-4H3/b22-11+,23-12-/t19?,21-,24-,25-,26+,27-/m1/s1
SMILES: CCCCC(=O)N(CCN1CCOCC1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C28H41N3O8/c1-3-4-5-23(34)31(8-7-30-9-12-38-13-10-30)21-16-20(28(36)29-6-11-32)24-19-14-18(17-33)15-22(37-2)26(19)39-27(24)25(21)35/h14-16,21,24-25,27,32-33,35H,3-13,17H2,1-2H3,(H,29,36)/t21-,24+,25+,27+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@H]1N2C=CC(=NC2=O)N)CC(=O)O
InChI: InChI=1S/C17H26N4O5/c1-17(2,3)26-16(25)19-11-8-10(9-14(22)23)4-5-12(11)21-7-6-13(18)20-15(21)24/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,25)(H,22,23)(H2,18,20,24)/t10-,11-,12-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)ON2C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C28H21N3O5/c1-17-12-14-19(15-13-17)25-24-26(36-30(25)20-8-5-9-21(16-20)31(34)35)28(33)29(27(24)32)23-11-4-7-18-6-2-3-10-22(18)23/h2-16,24-26H,1H3/t24-,25-,26-/m0/s1
SMILES: COC1=CC(=C(C=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=C(C=C8)Cl)O
InChI: InChI=1S/C39H30Cl2N2O6/c1-49-26-14-15-28(32(44)19-26)34-27-16-17-29-33(37(47)42(35(29)45)24-12-10-22(40)11-13-24)30(27)20-31-36(46)43(25-9-5-8-23(41)18-25)38(48)39(31,34)21-6-3-2-4-7-21/h2-16,18-19,29-31,33-34,44H,17,20H2,1H3/t29-,30+,31-,33-,34+,39+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO
InChI: InChI=1S/C20H21N3O8/c1-11(25)29-16-14(10-24)31-19(17(16)30-12(2)26)23-9-8-15(22-20(23)28)21-18(27)13-6-4-3-5-7-13/h3-9,14,16-17,19,24H,10H2,1-2H3,(H,21,22,27,28)/t14-,16-,17-,19-/m1/s1
SMILES: CN(C)/C=N/C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)O
InChI: InChI=1S/C34H36N6O6/c1-39(2)20-38-31-28-32(36-19-35-31)40(21-37-28)33-30(42)29(41)27(46-33)18-45-34(22-8-6-5-7-9-22,23-10-14-25(43-3)15-11-23)24-12-16-26(44-4)17-13-24/h5-17,19-21,27,29-30,33,41-42H,18H2,1-4H3/b38-20+/t27-,29-,30-,33-/m1/s1
SMILES: CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)CCC3=CC(=C(C=C3)O)O)(C(C)C)O)C
InChI: InChI=1S/C24H34O5/c1-15(2)24(28)12-11-23(4)10-9-16(3)13-20(22(23)24)29-21(27)8-6-17-5-7-18(25)19(26)14-17/h5,7,9,14-15,20,22,25-26,28H,6,8,10-13H2,1-4H3/t20-,22+,23-,24+/m0/s1
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)OO)CCC5=CC(=O)C=C[C@@]53C)F)O
InChI: InChI=1S/C22H29FO6/c1-18(2)27-17-10-15-14-6-5-12-9-13(24)7-8-19(12,3)21(14,23)16(25)11-20(15,4)22(17,28-18)29-26/h7-9,14-17,25-26H,5-6,10-11H2,1-4H3/t14-,15-,16-,17+,19-,20-,21-,22-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C(=C(C=C3[O-])Cl)[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C18H13Cl3N2O3/c19-8-4-5-11(12(20)6-8)16-10-3-1-2-9(10)15-17(22-16)14(24)7-13(21)18(15)23(25)26/h1-2,4-7,9-10,16,22,24H,3H2/p-1/t9-,10+,16-/m0/s1
SMILES: CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(=O)CC[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)C(=O)CS)C)O)F)C)F
InChI: InChI=1S/C25H34F2O5S/c1-4-5-21-31-20-10-14-15-9-17(26)16-8-13(28)6-7-22(16,2)24(15,27)18(29)11-23(14,3)25(20,32-21)19(30)12-33/h8,14-15,17-18,20-21,29,33H,4-7,9-12H2,1-3H3/t14-,15-,17-,18-,20+,21+,22-,23-,24-,25+/m0/s1
SMILES: COC1=C2C3=C(C[C@@H]4C5[C@]3(CCN4CC6CC6)[C@@H](O2)[C@H]([C@H](C5)C7=CC=C(C=C7)Br)O)C=C1
InChI: InChI=1S/C27H30BrNO3/c1-31-22-9-6-17-12-21-20-13-19(16-4-7-18(28)8-5-16)24(30)26-27(20,23(17)25(22)32-26)10-11-29(21)14-15-2-3-15/h4-9,15,19-21,24,26,30H,2-3,10-14H2,1H3/t19-,20?,21-,24+,26+,27+/m1/s1
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NNC(=O)CCCCCN3C(=O)C=CC3=O)NC(=O)N2
InChI: InChI=1S/C20H29N5O5S/c26-15(7-2-1-5-11-25-17(28)9-10-18(25)29)23-24-16(27)8-4-3-6-14-19-13(12-31-14)21-20(30)22-19/h9-10,13-14,19H,1-8,11-12H2,(H,23,26)(H,24,27)(H2,21,22,30)/t13-,14-,19-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)CCC4=CC(=C(C=C34)C#C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H52O2Si2/c1-13-22-20-26-23(21-28(22)33-35(9,10)30(2,3)4)14-15-25-24(26)18-19-32(8)27(25)16-17-29(32)34-36(11,12)31(5,6)7/h1,20-21,24-25,27,29H,14-19H2,2-12H3/t24-,25+,27-,29-,32-/m0/s1
SMILES: CC(C)C(=O)N(CCN1CCOCC1)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C27H40IN3O8/c1-17(2)27(36)31(6-5-30-7-10-38-11-8-30)21-14-19(26(35)29-4-9-32)15-22(24(21)34)39-25-20(28)12-18(16-33)13-23(25)37-3/h12-13,15,17,21-22,24,32-34H,4-11,14,16H2,1-3H3,(H,29,35)/t21-,22+,24+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](N(C2(C)C)CC3=CC=CC=C3)C4=CC=CC=C4[C@H]5[C@]67CC[C@H](O6)[C@H]([C@@H]7C(=O)N5C8=CC=C(C=C8)OC)C
InChI: InChI=1S/C40H48N2O4/c1-25-15-20-32-34(23-25)45-38(41(39(32,3)4)24-27-11-7-6-8-12-27)31-14-10-9-13-30(31)36-40-22-21-33(46-40)26(2)35(40)37(43)42(36)28-16-18-29(44-5)19-17-28/h6-14,16-19,25-26,32-36,38H,15,20-24H2,1-5H3/t25-,26-,32-,33+,34-,35-,36+,38+,40-/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC(=C2C#N)SCC(=O)N)C(=O)OC
InChI: InChI=1S/C18H19N3O5S/c1-3-26-11-6-4-10(5-7-11)14-12(8-19)17(27-9-13(20)22)21-16(23)15(14)18(24)25-2/h4-7,14-15H,3,9H2,1-2H3,(H2,20,22)(H,21,23)/t14-,15-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@@H]2C[C@@H]3[C@H](O2)OC(O3)(C)C)O[C@H]4CC(=O)N4
InChI: InChI=1S/C19H25NO8S/c1-11-4-6-12(7-5-11)29(22,23)24-10-15(25-17-9-16(21)20-17)13-8-14-18(26-13)28-19(2,3)27-14/h4-7,13-15,17-18H,8-10H2,1-3H3,(H,20,21)/t13-,14+,15+,17-,18+/m0/s1
SMILES: C[C@H]1CC2=C([C@@H](C(=C(N2)C)C(=O)OC3CCCC3)C4=CC=C(C=C4)Cl)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C25H28ClNO5/c1-13-12-18-22(23(28)19(13)24(29)31-3)21(15-8-10-16(26)11-9-15)20(14(2)27-18)25(30)32-17-6-4-5-7-17/h8-11,13,17,19,21,27H,4-7,12H2,1-3H3/t13-,19+,21+/m0/s1
SMILES: C1[C@H]([C@@H](CO[C@@H]1C(C2=CC=CC=C2)C3=CC=CC=C3)NCC4=CC=C(C=C4)O)O.C(=O)(C(=O)O)O
InChI: InChI=1S/C25H27NO3.C2H2O4/c27-21-13-11-18(12-14-21)16-26-22-17-29-24(15-23(22)28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20;3-1(4)2(5)6/h1-14,22-28H,15-17H2;(H,3,4)(H,5,6)/t22-,23-,24+;/m1./s1
SMILES: C[C@@H](C(=O)O[C@@H](C)C(=O)NC1=CC=CC=C1)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C20H22N2O5/c1-12(22-18(24)15-10-6-7-11-16(15)19(22)25)20(26)27-13(2)17(23)21-14-8-4-3-5-9-14/h3-9,12-13,15-16H,10-11H2,1-2H3,(H,21,23)/t12-,13-,15+,16+/m0/s1
SMILES: COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C34H32O9/c1-38-26-17-19-27(20-18-26)40-34-31(43-33(37)25-15-9-4-10-16-25)30(42-32(36)24-13-7-3-8-14-24)29(35)28(41-34)22-39-21-23-11-5-2-6-12-23/h2-20,28-31,34-35H,21-22H2,1H3/t28-,29+,30+,31-,34-/m1/s1
SMILES: CC(=CCCN1C[C@@H]2[C@H](C1)C2NC(=O)C(C3CCCC(C3)F)(C4=CC=CC=C4)O)C
InChI: InChI=1S/C25H35FN2O2/c1-17(2)8-7-13-28-15-21-22(16-28)23(21)27-24(29)25(30,18-9-4-3-5-10-18)19-11-6-12-20(26)14-19/h3-5,8-10,19-23,30H,6-7,11-16H2,1-2H3,(H,27,29)/t19?,20?,21-,22+,23?,25?
SMILES: CCC(=O)N1[C@H]([C@@H]2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=CC=C4
InChI: InChI=1S/C21H22N2O2/c1-3-19(24)23-21(14-7-5-4-6-8-14)18-11-9-15-13-16(25-2)10-12-17(15)20(18)22-23/h4-8,10,12-13,18,21H,3,9,11H2,1-2H3/t18-,21+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)[C@@H]2CS[C@@H](N2C(=O)C)C3=CC=CO3
InChI: InChI=1S/C19H26N2O5S/c1-12-6-3-4-7-14(12)20-17(23)10-26-19(24)15-11-27-18(21(15)13(2)22)16-8-5-9-25-16/h5,8-9,12,14-15,18H,3-4,6-7,10-11H2,1-2H3,(H,20,23)/t12-,14+,15-,18+/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=C(C=C(C=C7OC)O)OC)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F
InChI: InChI=1S/C50H43ClFN3O9/c1-61-35-19-22-40(62-2)28(23-35)8-5-27-6-17-33(18-7-27)54-46(57)37-21-20-36-38(43(37)48(54)59)26-39-47(58)55(53-32-15-13-31(52)14-16-32)49(60)50(39,29-9-11-30(51)12-10-29)45(36)44-41(63-3)24-34(56)25-42(44)64-4/h5-20,22-25,37-39,43,45,53,56H,21,26H2,1-4H3/t37-,38+,39-,43-,45+,50+/m0/s1
SMILES: C[C@]12/C=C\CC([C@@]3([C@@H](O3)CC4(OCCO4)C)C(=O)[C@H]1[C@@H]5COC(O[C@H]5C=C2)(C)C)(C)C
InChI: InChI=1S/C25H36O6/c1-21(2)9-7-10-23(5)11-8-17-16(15-29-22(3,4)30-17)19(23)20(26)25(21)18(31-25)14-24(6)27-12-13-28-24/h7-8,10-11,16-19H,9,12-15H2,1-6H3/b10-7-/t16-,17+,18+,19-,23-,25-/m1/s1
SMILES: CCOC(=O)C1=COC(=C1)[C@H]2[C@@H]([C@@H]([C@H](S2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C33H34O6S/c1-2-36-33(34)27-18-28(37-22-27)32-31(39-21-26-16-10-5-11-17-26)30(38-20-25-14-8-4-9-15-25)29(40-32)23-35-19-24-12-6-3-7-13-24/h3-18,22,29-32H,2,19-21,23H2,1H3/t29-,30-,31-,32+/m1/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN(C)CC4=CC=CC=C4
InChI: InChI=1S/C33H41N3O6/c1-4-40-30(38)19-35-33(39)34-18-24-10-16-28(17-11-24)32-41-29(21-36(3)20-25-8-6-5-7-9-25)23(2)31(42-32)27-14-12-26(22-37)13-15-27/h5-17,23,29,31-32,37H,4,18-22H2,1-3H3,(H2,34,35,39)/t23-,29+,31+,32+/m1/s1
SMILES: C1C=C(C[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl
InChI: InChI=1S/C14H11ClN2O4/c15-8-4-5-11-12(6-8)14(19)16(13(11)18)9-2-1-3-10(7-9)17(20)21/h1-4,7,11-12H,5-6H2/t11-,12+/m1/s1
SMILES: COC1=CC=CC=C1[C@@H]2[C@@H](COC(O2)C3=CC=CC=C3Cl)C/C=C\CCC(=O)O
InChI: InChI=1S/C23H25ClO5/c1-27-20-13-8-6-11-18(20)22-16(9-3-2-4-14-21(25)26)15-28-23(29-22)17-10-5-7-12-19(17)24/h2-3,5-8,10-13,16,22-23H,4,9,14-15H2,1H3,(H,25,26)/b3-2-/t16-,22+,23?/m1/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@H]4N)C)O
InChI: InChI=1S/C19H33NO/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-17,21H,3-11,20H2,1-2H3/t12-,13+,14-,15+,16-,17-,18-,19+/m0/s1
SMILES: CC[C@H](C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2N1)NC(=O)[C@H](CC3=CC=CC=C3)C[C@H](CN4C[C@H]5CCCC[C@H]5C[C@H]4C(=O)NC(C)(C)C)O
InChI: InChI=1S/C40H58N6O4/c1-6-26(2)36(39(50)41-23-35-42-32-18-12-13-19-33(32)43-35)44-37(48)30(20-27-14-8-7-9-15-27)21-31(47)25-46-24-29-17-11-10-16-28(29)22-34(46)38(49)45-40(3,4)5/h7-9,12-15,18-19,26,28-31,34,36,47H,6,10-11,16-17,20-25H2,1-5H3,(H,41,50)(H,42,43)(H,44,48)(H,45,49)/t26-,28-,29+,30+,31+,34-,36-/m0/s1
SMILES: C[C@@H](CC[C@@H](C(C)(C)O)O)[C@@H]1CC[C@]2([C@]1(CC[C@@]3([C@@H]2CC[C@]4([C@H]3CCCO)C(O4)(C)C)C)C)C
InChI: InChI=1S/C30H54O4/c1-20(11-12-24(32)25(2,3)33)21-13-15-29(8)22-14-16-30(26(4,5)34-30)23(10-9-19-31)27(22,6)17-18-28(21,29)7/h20-24,31-33H,9-19H2,1-8H3/t20-,21-,22-,23-,24-,27+,28-,29+,30-/m0/s1
SMILES: CC[C@]1([C@](N(C(=O)O1)CCC2=C(NC3=C2C=CC=C3F)C)(C)O)C
InChI: InChI=1S/C18H23FN2O3/c1-5-17(3)18(4,23)21(16(22)24-17)10-9-12-11(2)20-15-13(12)7-6-8-14(15)19/h6-8,20,23H,5,9-10H2,1-4H3/t17-,18-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)N)N.C(CNC(=O)[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)C(C(=O)[O-])C(=O)[O-].[Pt+2]
InChI: InChI=1S/C11H17NO10.C6H14N2.Pt/c13-4-5(14)7(22-11(21)6(4)15)8(16)12-2-1-3(9(17)18)10(19)20;7-5-3-1-2-4-6(5)8;/h3-7,11,13-15,21H,1-2H2,(H,12,16)(H,17,18)(H,19,20);5-6H,1-4,7-8H2;/q;;+2/p-2/t4-,5+,6+,7-,11?;5-,6-;/m01./s1
SMILES: CC1(O[C@H]([C@H](O1)[C@@H](C(F)(F)F)O)CCOCC2=CC=CC=C2)C
InChI: InChI=1S/C16H21F3O4/c1-15(2)22-12(13(23-15)14(20)16(17,18)19)8-9-21-10-11-6-4-3-5-7-11/h3-7,12-14,20H,8-10H2,1-2H3/t12-,13-,14-/m0/s1
SMILES: C[C@]1([C@H]2CC[C@H](C2)C1(C)C)NC(=O)C[NH2+]CC[NH+]3CCOCC3
InChI: InChI=1S/C18H33N3O2/c1-17(2)14-4-5-15(12-14)18(17,3)20-16(22)13-19-6-7-21-8-10-23-11-9-21/h14-15,19H,4-13H2,1-3H3,(H,20,22)/p+2/t14-,15+,18-/m1/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)SP2(=S)OCC(CO2)(C)C)OC(=O)C
InChI: InChI=1S/C25H38NO14PS2/c1-13(27)26-20-18(37-15(3)29)9-25(23(32)33-8,43-41(42)35-11-24(6,7)12-36-41)40-22(20)21(39-17(5)31)19(38-16(4)30)10-34-14(2)28/h18-22H,9-12H2,1-8H3,(H,26,27)/t18-,19+,20+,21+,22+,25+/m0/s1
SMILES: C1CCC(CC1)N2[C@@H]([C@@H](C2=O)[C@H]3C=CC[C@@H]4[C@H]3C(=O)C5=CC=CC=C5C4=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C29H28ClNO3/c30-18-15-13-17(14-16-18)26-25(29(34)31(26)19-7-2-1-3-8-19)22-11-6-12-23-24(22)28(33)21-10-5-4-9-20(21)27(23)32/h4-6,9-11,13-16,19,22-26H,1-3,7-8,12H2/t22-,23+,24-,25-,26+/m0/s1
SMILES: C[C@@]1([C@H]2CC(C[C@H]2[C@@H](C34C1(C3)C(=O)OC4)O)(C)C)O
InChI: InChI=1S/C15H22O4/c1-12(2)4-8-9(5-12)13(3,18)15-6-14(15,10(8)16)7-19-11(15)17/h8-10,16,18H,4-7H2,1-3H3/t8-,9+,10+,13+,14?,15?/m1/s1
SMILES: CC1=CC=C(C=C1)S[C@@H]2C[C@H]3[C@H](C(=C[C@@H]2N3C)C4=CC=CC=C4)OC(=O)C
InChI: InChI=1S/C23H25NO2S/c1-15-9-11-18(12-10-15)27-22-14-21-23(26-16(2)25)19(13-20(22)24(21)3)17-7-5-4-6-8-17/h4-13,20-23H,14H2,1-3H3/t20-,21-,22+,23-/m0/s1
SMILES: C1[C@@H]2[C@@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20-/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(C)C(=O)OCCCl)OCC=C
InChI: InChI=1S/C49H76ClN3O10/c1-4-6-7-8-9-10-11-12-13-17-27-51-47(56)61-37-24-25-42-40(34-37)45-38(22-15-19-29-55)36(21-14-18-28-54)33-39-41(52-63-44-23-16-20-31-58-44)35-43(53(3)48(57)59-32-26-50)49(62-42,46(39)45)60-30-5-2/h5,24-25,33-34,36,38,43-46,54-55H,2,4,6-23,26-32,35H2,1,3H3,(H,51,56)/t36-,38+,43-,44?,45+,46+,49+/m0/s1
SMILES: C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O)N)C#N
InChI: InChI=1S/C10H12N4O5/c11-1-4-2-14(10(18)13-8(4)12)9-7(17)6(16)5(3-15)19-9/h2,5-7,9,15-17H,3H2,(H2,12,13,18)/t5-,6+,7+,9+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCCCCN)COP(=O)(O)OP(=O)(O)O)O
InChI: InChI=1S/C17H27N3O11P2/c18-8-6-4-2-1-3-5-7-12-10-20(17(23)19-16(12)22)15-9-13(21)14(30-15)11-29-33(27,28)31-32(24,25)26/h10,13-15,21H,1-4,6,8-9,11,18H2,(H,27,28)(H,19,22,23)(H2,24,25,26)/t13-,14+,15+/m0/s1
SMILES: COC1=CC=CC=C1CN2CCN(CC2)C[C@@H]3C[C@@H]4C[C@H]3C=C4
InChI: InChI=1S/C20H28N2O/c1-23-20-5-3-2-4-18(20)14-21-8-10-22(11-9-21)15-19-13-16-6-7-17(19)12-16/h2-7,16-17,19H,8-15H2,1H3/t16-,17+,19-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](C[C@@H]([C@H]2[C@@H]1[C@@H]3C[C@H]2C=C3)O)C4=CN=C(C=C4)OC
InChI: InChI=1S/C23H35NO3Si/c1-23(2,3)28(5,6)27-22-17(16-9-10-19(26-4)24-13-16)12-18(25)20-14-7-8-15(11-14)21(20)22/h7-10,13-15,17-18,20-22,25H,11-12H2,1-6H3/t14-,15+,17-,18+,20+,21+,22-/m1/s1
SMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCC
InChI: InChI=1S/C42H79N3O14P2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-31-54-32-35(57-38(46)28-26-24-22-20-18-14-12-10-8-6-4-2)33-55-60(50,51)59-61(52,53)56-34-36-39(47)40(48)41(58-36)45-30-29-37(43)44-42(45)49/h29-30,35-36,39-41,47-48H,3-28,31-34H2,1-2H3,(H,50,51)(H,52,53)(H2,43,44,49)/t35?,36-,39-,40+,41-/m1/s1
SMILES: CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)N3CCC[C@H]4[C@H]3CCCC4
InChI: InChI=1S/C19H26N4O2S/c1-13-15(9-11-25-13)18-20-21-19(22(18)2)26-12-17(24)23-10-5-7-14-6-3-4-8-16(14)23/h9,11,14,16H,3-8,10,12H2,1-2H3/t14-,16+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C(F)(F)F)COC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChI: InChI=1S/C15H10F9N3O7/c16-13(17,18)9(28)25-7-1-2-27(12(31)26-7)8-3-5(34-11(30)15(22,23)24)6(33-8)4-32-10(29)14(19,20)21/h1-2,5-6,8H,3-4H2,(H,25,26,28,31)/t5-,6+,8+/m0/s1
SMILES: C[C@H]1CCC2=C(C=CC=N2)C(=O)OC[C@]3([C@@H]4[C@H]([C@H]([C@@]5([C@H]([C@H]([C@@H](C([C@]5([C@@H]4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=CC=CC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33+,34-,35+,36-,40-,41?,42+,43-/m0/s1
SMILES: C/C=C/[C@H]1C=CC(=O)[C@H]([C@]12C(=O)[C@@H](OC2=O)C)O
InChI: InChI=1S/C13H14O5/c1-3-4-8-5-6-9(14)11(16)13(8)10(15)7(2)18-12(13)17/h3-8,11,16H,1-2H3/b4-3+/t7-,8-,11+,13+/m0/s1
SMILES: C[NH2+][C@@H]1CC2=CC(=C(C=C2[C@H]1C3=CC=CC=C3)Cl)O.[Br-]
InChI: InChI=1S/C16H16ClNO.BrH/c1-18-14-7-11-8-15(19)13(17)9-12(11)16(14)10-5-3-2-4-6-10;/h2-6,8-9,14,16,18-19H,7H2,1H3;1H/t14-,16-;/m1./s1
SMILES: C[C@@H]1CC[C@@]23C(=CC(=O)C[C@]2(C)C(=O)OC)[C@]1(C=C(O3)C4=COC=C4)C
InChI: InChI=1S/C21H24O5/c1-13-5-7-21-17(9-15(22)10-20(21,3)18(23)24-4)19(13,2)11-16(26-21)14-6-8-25-12-14/h6,8-9,11-13H,5,7,10H2,1-4H3/t13-,19+,20-,21-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C16H22N2O4/c1-11-5-3-4-6-15(11)17-16(19)12(2)22-14-9-7-13(8-10-14)18(20)21/h7-12,15H,3-6H2,1-2H3,(H,17,19)/t11-,12-,15+/m1/s1
SMILES: C1C[C@H]([C@@H](C[C@H]1C[18F])N2CCC(CC2)C3=CC=CC=C3)O
InChI: InChI=1S/C18H26FNO/c19-13-14-6-7-18(21)17(12-14)20-10-8-16(9-11-20)15-4-2-1-3-5-15/h1-5,14,16-18,21H,6-13H2/t14-,17+,18+/m0/s1/i19-1
SMILES: CC1=CC=C(C=C1)OC[C@@H]2[C@H](C[C@@H](O2)CN3C=C(C(=O)NC3=O)C)OC4=CC=C(C=C4)C
InChI: InChI=1S/C25H28N2O5/c1-16-4-8-19(9-5-16)30-15-23-22(31-20-10-6-17(2)7-11-20)12-21(32-23)14-27-13-18(3)24(28)26-25(27)29/h4-11,13,21-23H,12,14-15H2,1-3H3,(H,26,28,29)/t21-,22+,23-/m1/s1
SMILES: C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2C(=O)C(CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=CC=C4)O)C(=O)NCCC5=CCN(C5)C(=N)N)O
InChI: InChI=1S/C34H44N6O5/c35-34(36)39-16-14-24(21-39)13-15-37-31(43)29-19-25-11-12-26(41)20-28(25)40(29)33(45)27(17-22-7-3-1-4-8-22)38-32(44)30(42)18-23-9-5-2-6-10-23/h1-10,14,25-30,41-42H,11-13,15-21H2,(H3,35,36)(H,37,43)(H,38,44)/t25-,26+,27?,28-,29-,30+/m0/s1
SMILES: CCCCCCCCOC1=C(C2=C(C=C(C=C2)N)N(C1=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C31H42N2O12/c1-7-8-9-10-11-12-15-40-26-23(21-14-13-20(32)16-22(21)33(5)29(26)37)44-31-28(43-19(4)36)25(42-18(3)35)24(41-17(2)34)27(45-31)30(38)39-6/h13-14,16,24-25,27-28,31H,7-12,15,32H2,1-6H3/t24-,25-,27-,28+,31+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2C[C@@]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)(CSC5=NC=CC=N5)O)C
InChI: InChI=1S/C32H52N2O2S/c1-21(2)8-6-9-22(3)25-10-11-26-24-19-32(36,20-37-29-33-16-7-17-34-29)28-18-23(35)12-14-31(28,5)27(24)13-15-30(25,26)4/h7,16-17,21-28,35-36H,6,8-15,18-20H2,1-5H3/t22-,23+,24?,25-,26?,27?,28+,30-,31-,32+/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NCC6=CC=CC=C6)O
InChI: InChI=1S/C37H37N3O6/c1-43-30-17-13-28(14-18-30)37(27-11-7-4-8-12-27,29-15-19-31(44-2)20-16-29)45-25-33-32(41)23-35(46-33)40-22-21-34(39-36(40)42)38-24-26-9-5-3-6-10-26/h3-22,32-33,35,41H,23-25H2,1-2H3,(H,38,39,42)/t32-,33+,35+/m0/s1
SMILES: C1CN2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)N6CCC(CC6)C(=O)N
InChI: InChI=1S/C29H34N6O2/c30-28(36)23-10-13-33(14-11-23)29(37)26-18-34-15-12-24(26)16-25(34)17-35-19-27(31-32-35)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h1-9,19,23-26H,10-18H2,(H2,30,36)/t24-,25-,26+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O)NO
InChI: InChI=1S/C10H13N5O5/c16-1-4-6(17)7(18)10(20-4)15-3-13-5-8(14-19)11-2-12-9(5)15/h2-4,6-7,10,16-19H,1H2,(H,11,12,14)/t4-,6+,7+,10-/m0/s1
SMILES: C1CN2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=CC=C4)C(=O)NC5=NC=CS5
InChI: InChI=1S/C20H22N6OS/c27-19(22-20-21-7-9-28-20)17-12-25-8-6-15(17)10-16(25)11-26-13-18(23-24-26)14-4-2-1-3-5-14/h1-5,7,9,13,15-17H,6,8,10-12H2,(H,21,22,27)/t15-,16-,17+/m1/s1
SMILES: COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C23H20N2O4/c1-29-16-6-4-5-15(12-16)24-21(26)17-7-2-3-8-18(17)25-22(27)19-13-9-10-14(11-13)20(19)23(25)28/h2-10,12-14,19-20H,11H2,1H3,(H,24,26)/t13-,14+,19+,20-
SMILES: C1CC2=CC3=C(CCC4=C(C=C1C=C4)NC(=O)[C@H]5[C@@H]([C@@H]([C@H]5C(=O)N3)C6=CC=CC=C6)C7=CC=CC=C7)C=C2
InChI: InChI=1S/C34H30N2O2/c37-33-31-29(25-7-3-1-4-8-25)30(26-9-5-2-6-10-26)32(31)34(38)36-28-20-22-12-11-21-13-15-23(27(19-21)35-33)17-18-24(28)16-14-22/h1-10,13-16,19-20,29-32H,11-12,17-18H2,(H,35,37)(H,36,38)/t29-,30+,31+,32-
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@@H]2CC(=O)C4=C3C=CC(=C4)OC)C
InChI: InChI=1S/C21H26O4/c1-12(22)25-20-7-6-18-16-11-19(23)17-10-13(24-3)4-5-14(17)15(16)8-9-21(18,20)2/h4-5,10,15-16,18,20H,6-9,11H2,1-3H3/t15-,16+,18+,20+,21+/m1/s1
SMILES: C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)[C@H]3CC=CC[C@H]3C(=O)O
InChI: InChI=1S/C19H23NO5S/c1-10-7-8-13-14(9-10)26-17(15(13)19(24)25-2)20-16(21)11-5-3-4-6-12(11)18(22)23/h3-4,10-12H,5-9H2,1-2H3,(H,20,21)(H,22,23)/t10-,11-,12+/m0/s1
SMILES: CCOC1=CC=CC=C1N2C(=O)[C@@H](C(=O)NC2=O)C=N[C@@H]3CCCC[C@@H]3[NH3+]
InChI: InChI=1S/C19H24N4O4/c1-2-27-16-10-6-5-9-15(16)23-18(25)12(17(24)22-19(23)26)11-21-14-8-4-3-7-13(14)20/h5-6,9-14H,2-4,7-8,20H2,1H3,(H,22,24,26)/p+1/t12-,13+,14-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@H]1OC(=O)C)O[C@@H](CO)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)OC(=O)C(C)(C)C)OC)C(=O)O)OC(=O)C
InChI: InChI=1S/C28H38N2O17/c1-11(32)41-18-19(42-12(2)33)22(43-13(3)34)25(46-21(18)24(36)37)44-14(10-31)16-17(40-7)20(47-26(38)28(4,5)6)23(45-16)30-9-8-15(35)29-27(30)39/h8-9,14,16-23,25,31H,10H2,1-7H3,(H,36,37)(H,29,35,39)/t14-,16+,17+,18-,19-,20+,21-,22-,23+,25-/m0/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN6CCCCCCC6
InChI: InChI=1S/C43H53N3O6S/c1-31-13-23-38(24-14-31)53(49,50)45-39(27-33-11-7-6-8-12-33)42(48)44-28-34-15-21-37(22-16-34)43-51-40(29-46-25-9-4-3-5-10-26-46)32(2)41(52-43)36-19-17-35(30-47)18-20-36/h6-8,11-24,32,39-41,43,45,47H,3-5,9-10,25-30H2,1-2H3,(H,44,48)/t32-,39+,40+,41+,43?/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=CN=C2)Br
InChI: InChI=1S/C17H23BrN2O3/c1-10-5-4-6-15(11(10)2)20-16(21)12(3)23-17(22)13-7-14(18)9-19-8-13/h7-12,15H,4-6H2,1-3H3,(H,20,21)/t10-,11-,12-,15-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]2COP(=O)(OP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)[N+]4=C(C5=C(N=C4)N([C@@H]1O2)C=N5)N)O)O)[O-])O)O
InChI: InChI=1S/C16H23N5O13P2/c1-29-12-10(23)7-3-31-36(27,28)34-35(25,26)30-2-6-9(22)11(24)15(32-6)20-5-19-14-8(13(20)17)18-4-21(14)16(12)33-7/h4-7,9-12,15-17,22-24H,2-3H2,1H3,(H2,25,26,27,28)/t6-,7-,9-,10-,11-,12-,15-,16-/m1/s1