EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OCC3=CC=CC=C3)SC4=CC=C(C=C4)C)COCC5=CC=CC=C5)OC(=O)C)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C56H60O10S/c1-39-29-31-47(32-30-39)67-56-54(62-37-46-27-17-8-18-28-46)52(50(64-41(3)57)48(65-56)38-58-33-42-19-9-4-10-20-42)66-55-53(61-36-45-25-15-7-16-26-45)51(60-35-44-23-13-6-14-24-44)49(40(2)63-55)59-34-43-21-11-5-12-22-43/h4-32,40,48-56H,33-38H2,1-3H3/t40-,48+,49+,50-,51+,52-,53-,54+,55-,56-/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)[O-])C4=CC=NC=C4
InChI: InChI=1S/C18H16N2O2/c21-18(22)12-4-5-16-15(10-12)13-2-1-3-14(13)17(20-16)11-6-8-19-9-7-11/h1-2,4-10,13-14,17,20H,3H2,(H,21,22)/p-1/t13-,14-,17+/m1/s1
SMILES: CCN1[C@H]2[C@@H](C(=C(O2)C)C(=O)OCC)N(C3=CC=CC=C31)C(=O)C
InChI: InChI=1S/C18H22N2O4/c1-5-19-13-9-7-8-10-14(13)20(12(4)21)16-15(18(22)23-6-2)11(3)24-17(16)19/h7-10,16-17H,5-6H2,1-4H3/t16-,17-/m1/s1
SMILES: C1CCCC(CC1)NC2=C3C(=NC(=O)N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C17H25N5O5/c23-7-10-12(24)13(25)16(27-10)22-8-18-11-14(20-17(26)21-15(11)22)19-9-5-3-1-2-4-6-9/h8-10,12-13,16,23-25H,1-7H2,(H2,19,20,21,26)/t10-,12-,13-,16-/m1/s1
SMILES: CC(=O)NC([C@H]1C[C@@](C[C@@H]1N=C(N)N)(C(=O)O)O)C(=O)N2CCCCCC2
InChI: InChI=1S/C17H29N5O5/c1-10(23)20-13(14(24)22-6-4-2-3-5-7-22)11-8-17(27,15(25)26)9-12(11)21-16(18)19/h11-13,27H,2-9H2,1H3,(H,20,23)(H,25,26)(H4,18,19,21)/t11-,12-,13?,17+/m0/s1
SMILES: CC1=C(C(C[C@@H](C1)OC(=O)C)(C)C)C#C[C@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C41H64O12/c1-23-20-26(49-25(3)42)21-41(16,17)27(23)19-18-24(2)48-32-31(53-36(46)40(13,14)15)30(52-35(45)39(10,11)12)29(51-34(44)38(7,8)9)28(50-32)22-47-33(43)37(4,5)6/h24,26,28-32H,20-22H2,1-17H3/t24-,26+,28+,29+,30-,31+,32+/m0/s1
SMILES: CCOP(=O)(CC(=O)N1[C@H]2C[C@@H]3CC[C@]2(C3(C)C)CS1(=O)=O)OCC
InChI: InChI=1S/C16H28NO6PS/c1-5-22-24(19,23-6-2)10-14(18)17-13-9-12-7-8-16(13,15(12,3)4)11-25(17,20)21/h12-13H,5-11H2,1-4H3/t12-,13-,16-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N(C)CC(=O)N3CCOCC3
InChI: InChI=1S/C18H28N4O5/c1-13-5-3-4-6-18(13)16(25)22(17(26)19-18)12-14(23)20(2)11-15(24)21-7-9-27-10-8-21/h13H,3-12H2,1-2H3,(H,19,26)/t13-,18+/m0/s1
SMILES: CC1(O[C@H]2[C@@H]3C[C@H]([C@@H](C3)[C@H]2O1)CCC(=O)OC)C
InChI: InChI=1S/C14H22O4/c1-14(2)17-12-9-6-8(4-5-11(15)16-3)10(7-9)13(12)18-14/h8-10,12-13H,4-7H2,1-3H3/t8-,9-,10-,12+,13-/m1/s1
SMILES: C[C@@H]1[C@H](C[C@@H]2[C@H]1[C@@H]3[C@@H](C3(C)C)CC[C@@]2(C)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H40O2Si/c1-13-16(23-24(8,9)19(2,3)4)12-15-17(13)18-14(20(18,5)6)10-11-21(15,7)22/h13-18,22H,10-12H2,1-9H3/t13-,14+,15-,16+,17+,18+,21-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](N(C(=O)C1=O)C)C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C14H14N2O6/c1-3-22-14(19)10-11(15(2)13(18)12(10)17)8-4-6-9(7-5-8)16(20)21/h4-7,10-11H,3H2,1-2H3/t10-,11-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=S)C#N)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H25N3O10S/c1-12(29)34-11-18-20(35-13(2)30)21(36-14(3)31)22(37-15(4)32)24(38-18)28-19(16-8-6-5-7-9-16)17(10-26)23(33)27-25(28)39/h5-9,18,20-22,24H,11H2,1-4H3,(H,27,33,39)/t18-,20-,21+,22-,24-/m1/s1
SMILES: CCC[C@]1(C[C@H]([NH+]([C@@H]([C@@H]1C)C2=CC=CC=C2)C)C3=CC=CC=C3)O
InChI: InChI=1S/C22H29NO/c1-4-15-22(24)16-20(18-11-7-5-8-12-18)23(3)21(17(22)2)19-13-9-6-10-14-19/h5-14,17,20-21,24H,4,15-16H2,1-3H3/p+1/t17-,20-,21-,22+/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CCC(C5(C)C)(O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChI: InChI=1S/C30H48O4/c1-18-10-13-29(24(31)32)16-15-27(6)20(23(29)19(18)2)8-9-22-26(5)14-17-30(33,34)25(3,4)21(26)11-12-28(22,27)7/h8,18-19,21-23,33-34H,9-17H2,1-7H3,(H,31,32)/t18-,19+,21?,22-,23+,26+,27-,28-,29+/m1/s1
SMILES: C[C@H]1CC[NH+](CC(C1)(C)C)C[C@H]2[C@H]3C=C4[C@@H](CCC[C@]4(C[C@@H]3OC2=O)C)C
InChI: InChI=1S/C24H39NO2/c1-16-8-10-25(15-23(3,4)12-16)14-19-18-11-20-17(2)7-6-9-24(20,5)13-21(18)27-22(19)26/h11,16-19,21H,6-10,12-15H2,1-5H3/p+1/t16-,17+,18+,19-,21-,24-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4
InChI: InChI=1S/C23H27N3O3S/c1-14-8-7-11-19(15(14)2)24-21(27)13-29-23(28)20-12-18-16(3)25-26(22(18)30-20)17-9-5-4-6-10-17/h4-6,9-10,12,14-15,19H,7-8,11,13H2,1-3H3,(H,24,27)/t14-,15-,19+/m0/s1
SMILES: CCOC(=O)C1=C(NC(=C([C@@H]1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O
InChI: InChI=1S/C23H32N2O5.C20H25ClN2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28;1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28);5-8,17,23H,4,9-11,22H2,1-3H3/t15-,17-,18-,19-,20-;17-/m00/s1
SMILES: C[Si](C)(C)O[C@@H]1C/C=C\C[C@@H]([C@H](OC1=O)[C@@H]2COC3(O2)CCCCC3)O
InChI: InChI=1S/C19H32O6Si/c1-26(2,3)25-15-10-6-5-9-14(20)17(23-18(15)21)16-13-22-19(24-16)11-7-4-8-12-19/h5-6,14-17,20H,4,7-13H2,1-3H3/b6-5-/t14-,15+,16-,17-/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)/C=C\COC4=CC5=C(C=C4)C=CC(=O)O5
InChI: InChI=1S/C27H22N2O7S/c30-21(13-16-5-2-1-3-6-16)28-23-25(32)29-24(27(33)34)18(15-37-26(23)29)7-4-12-35-19-10-8-17-9-11-22(31)36-20(17)14-19/h1-11,14,23,26H,12-13,15H2,(H,28,30)(H,33,34)/b7-4-/t23-,26-/m1/s1
SMILES: CC1=C2[C@@H]3C=CC[C@H]3[C@H](NC2=C(C=C1)OC)C4=C(C=CC(=C4)[N+](=O)[O-])Cl
InChI: InChI=1S/C20H19ClN2O3/c1-11-6-9-17(26-2)20-18(11)13-4-3-5-14(13)19(22-20)15-10-12(23(24)25)7-8-16(15)21/h3-4,6-10,13-14,19,22H,5H2,1-2H3/t13-,14-,19+/m1/s1
SMILES: C[C@@H]1[C@H]2C(=O)C[C@H](C=C2NC3=NC=NN13)C4=CC=CC=C4
InChI: InChI=1S/C16H16N4O/c1-10-15-13(19-16-17-9-18-20(10)16)7-12(8-14(15)21)11-5-3-2-4-6-11/h2-7,9-10,12,15H,8H2,1H3,(H,17,18,19)/t10-,12+,15-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)CCN3C(=O)OC(=N3)C4=CC=CS4
InChI: InChI=1S/C18H23N3O3S/c22-16(20-10-3-6-13-5-1-2-7-14(13)20)9-11-21-18(23)24-17(19-21)15-8-4-12-25-15/h4,8,12-14H,1-3,5-7,9-11H2/t13-,14+/m1/s1
SMILES: CCOC1=CC2=C(C(=C1)[N+](=O)[O-])N[C@H]([C@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H19ClN2O3/c1-2-26-14-10-17-15-4-3-5-16(15)19(12-6-8-13(21)9-7-12)22-20(17)18(11-14)23(24)25/h3-4,6-11,15-16,19,22H,2,5H2,1H3/t15-,16+,19-/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C(=CC=C5)F)O)C(=O)C(=CC4=O)C
InChI: InChI=1S/C25H22FNO5/c1-3-27-24(31)14-8-7-12-15(20(14)25(27)32)10-16-18(28)9-11(2)22(29)21(16)19(12)13-5-4-6-17(26)23(13)30/h4-7,9,14-15,19-20,30H,3,8,10H2,1-2H3/t14-,15+,19+,20-/m0/s1
SMILES: C[C@@H](COCC1=CC(=CC=C1)C(C)(C)O)[C@H]2CC[C@@H]3[C@@]2(CCCC3=CC=C4C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C32H46O4/c1-21(19-36-20-23-8-6-10-26(16-23)31(3,4)35)28-13-14-29-24(9-7-15-32(28,29)5)11-12-25-17-27(33)18-30(34)22(25)2/h6,8,10-12,16,21,27-30,33-35H,2,7,9,13-15,17-20H2,1,3-5H3/t21-,27+,28+,29-,30-,32+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15+,16+/m1/s1
SMILES: CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)N[C@H]3CCCC[C@@H]3C)C
InChI: InChI=1S/C19H25N3O4S/c1-4-26-19(25)16-12(3)15-17(27-16)20-10-22(18(15)24)9-14(23)21-13-8-6-5-7-11(13)2/h10-11,13H,4-9H2,1-3H3,(H,21,23)/t11-,13-/m0/s1
SMILES: COC(=O)[C@H]1[C@H]2[C@@]3(CC[C@H]([C@@]2(C(=O)O3)COCC4=CC=CC=C4)O)[C@H]5[C@]16C[C@@H](CC5)C(=O)C6
InChI: InChI=1S/C26H30O7/c1-31-22(29)20-21-25(14-32-13-15-5-3-2-4-6-15)19(28)9-10-26(21,33-23(25)30)18-8-7-16-11-24(18,20)12-17(16)27/h2-6,16,18-21,28H,7-14H2,1H3/t16-,18-,19-,20-,21-,24-,25+,26-/m1/s1
SMILES: C1[C@@H](C2[C@@H]3[C@H]([C@@]1(O2)COC(=O)NC4=CC=CC=C4)C(=O)OC3=O)COC(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H21NO8/c26-20(14-7-3-1-4-8-14)30-12-15-11-24(13-31-23(29)25-16-9-5-2-6-10-16)18-17(19(15)33-24)21(27)32-22(18)28/h1-10,15,17-19H,11-13H2,(H,25,29)/t15-,17+,18+,19?,24+/m1/s1
SMILES: CC(=C1[C@H]2CC[C@@H]1[C@@H]([C@@H]2C(=O)N3CCN(CC3)C4=CC=CC=C4Cl)C(=O)[O-])C
InChI: InChI=1S/C22H27ClN2O3/c1-13(2)18-14-7-8-15(18)20(22(27)28)19(14)21(26)25-11-9-24(10-12-25)17-6-4-3-5-16(17)23/h3-6,14-15,19-20H,7-12H2,1-2H3,(H,27,28)/p-1/t14-,15+,19-,20+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI: InChI=1S/C16H21ClN2O4/c1-10-4-3-5-14(11(10)2)18-16(20)9-23-15-7-6-12(19(21)22)8-13(15)17/h6-8,10-11,14H,3-5,9H2,1-2H3,(H,18,20)/t10-,11-,14+/m1/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)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NC7=CC=CC=C7S6
InChI: InChI=1S/C38H35N3O7S2/c1-23-31(22-49-38-40-29-9-5-6-10-32(29)50-38)47-36(48-34(23)26-13-11-24(20-42)12-14-26)27-15-17-28(18-16-27)41-33(43)19-30(35(41)44)39-37(45)46-21-25-7-3-2-4-8-25/h2-18,23,30-31,34,36,42H,19-22H2,1H3,(H,39,45)/t23-,30?,31+,34+,36+/m0/s1
SMILES: C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChI: InChI=1S/C8H14N3O15P3/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(24-7)2-23-28(19,20)26-29(21,22)25-27(16,17)18/h1,3,5-7,13-14H,2H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1
SMILES: COC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)NC(=O)/C=C/C=O
InChI: InChI=1S/C24H27N6O11P/c1-38-24(35)15(29-17(32)3-2-8-31)9-13-4-6-14(7-5-13)41-42(36,37)39-10-16-19(33)20(34)23(40-16)30-12-28-18-21(25)26-11-27-22(18)30/h2-8,11-12,15-16,19-20,23,33-34H,9-10H2,1H3,(H,29,32)(H,36,37)(H2,25,26,27)/b3-2+/t15-,16+,19+,20+,23+/m0/s1
SMILES: CCC1=NN2C(=O)C=C(N=C2S1)COC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C18H20N4O5S/c1-2-13-20-22-14(23)7-10(19-18(22)28-13)9-27-15(24)8-21-16(25)11-5-3-4-6-12(11)17(21)26/h7,11-12H,2-6,8-9H2,1H3/t11-,12-/m1/s1
SMILES: CC(C)N(C(C)C)P(OCCCC1=CC=CC=N1)O[C@H]2C[C@@H](O[C@@H]2COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N6C=CC(=NC6=O)NC(=O)C7=CC=CC=C7
InChI: InChI=1S/C51H58N5O8P/c1-36(2)56(37(3)4)65(62-33-15-21-42-20-13-14-31-52-42)64-45-34-48(55-32-30-47(54-50(55)58)53-49(57)38-16-9-7-10-17-38)63-46(45)35-61-51(39-18-11-8-12-19-39,40-22-26-43(59-5)27-23-40)41-24-28-44(60-6)29-25-41/h7-14,16-20,22-32,36-37,45-46,48H,15,21,33-35H2,1-6H3,(H,53,54,57,58)/t45-,46+,48+,65?/m0/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)CN2CC[C@]3(CCCC[C@@H]3[C@@H]2C4=CC(=C(C=C4)OC)OC)O)C
InChI: InChI=1S/C27H36N2O4/c1-18-8-10-22(19(2)15-18)28-25(30)17-29-14-13-27(31)12-6-5-7-21(27)26(29)20-9-11-23(32-3)24(16-20)33-4/h8-11,15-16,21,26,31H,5-7,12-14,17H2,1-4H3,(H,28,30)/t21-,26+,27+/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)[NH2+][C@H]2CC[NH+](C[C@@H]2C3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C26H30N2/c1-21(23-13-7-3-8-14-23)27-26-17-18-28(19-22-11-5-2-6-12-22)20-25(26)24-15-9-4-10-16-24/h2-16,21,25-27H,17-20H2,1H3/p+2/t21-,25+,26-/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@H]2[C@H]3[C@@H]([C@@H]4[C@@H](O2)OC(O4)(C)C)OC(O3)(C)C)F
InChI: InChI=1S/C19H24FNO6/c1-9-6-7-10(8-11(9)20)21-16(22)14-12-13(25-18(2,3)24-12)15-17(23-14)27-19(4,5)26-15/h6-8,12-15,17H,1-5H3,(H,21,22)/t12-,13+,14-,15-,17+/m1/s1
SMILES: CC1=C(C=CC(=C1Cl)C#N)NC(=O)N2CC[C@@H]([C@H]2C(=O)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H30ClN3O4Si/c1-13-15(9-8-14(12-23)17(13)22)24-20(27)25-11-10-16(18(25)19(26)28-5)29-30(6,7)21(2,3)4/h8-9,16,18H,10-11H2,1-7H3,(H,24,27)/t16-,18-/m0/s1
SMILES: CCC1=CC=C(C=C1)N(CC2=CC=C(C=C2)Cl)C3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3
InChI: InChI=1S/C20H21ClN2O2S2/c1-2-14-5-9-17(10-6-14)23(11-15-3-7-16(21)8-4-15)20-22-18-12-27(24,25)13-19(18)26-20/h3-10,18-19H,2,11-13H2,1H3/t18-,19+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](C2C=CC1[C@H]([C@H]2C(=O)OCC)C(=O)OCC)C(=O)OCC
InChI: InChI=1S/C20H28O8/c1-5-25-17(21)13-11-9-10-12(14(13)18(22)26-6-2)16(20(24)28-8-4)15(11)19(23)27-7-3/h9-16H,5-8H2,1-4H3/t11?,12?,13-,14+,15+,16-
SMILES: C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)/C=N\O)O
InChI: InChI=1S/C23H33NO6/c1-20-6-3-17-18(23(20,28)9-5-16(20)14-10-19(26)30-12-14)4-8-22(27)11-15(25)2-7-21(17,22)13-24-29/h12-13,15-18,25,27-29H,2-11H2,1H3/b24-13-/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1
SMILES: C=CCOC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]([C@@H](N2[C@@H]([C@]13C4=CC=CC=C4NC3=O)C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C38H34N2O7/c1-2-22-46-35(42)30-32-36(43)47-33(25-15-7-4-8-16-25)31(24-13-5-3-6-14-24)40(32)34(26-17-9-12-20-29(26)45-23-21-41)38(30)27-18-10-11-19-28(27)39-37(38)44/h2-20,30-34,41H,1,21-23H2,(H,39,44)/t30-,31-,32-,33+,34+,38-/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@H](C=C[C@H]1OC(=O)C)CC=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H40O4Si/c1-8-9-10-11-20(27-28(6,7)23(3,4)5)13-14-21-19(16-17-24)12-15-22(21)26-18(2)25/h12-15,17,19-22H,8-11,16H2,1-7H3/b14-13+/t19-,20+,21-,22-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Br)COCCOCCOC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)Br)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H40Br2O17/c1-13(31)40-21-19(46-27(29)25(44-17(5)35)23(21)42-15(3)33)11-38-9-7-37-8-10-39-12-20-22(41-14(2)32)24(43-16(4)34)26(28(30)47-20)45-18(6)36/h19-28H,7-12H2,1-6H3/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1
SMILES: CCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC=C3OC(C)C)C(=O)[C@@H]([C@H](C2)C)C(=O)OC)C
InChI: InChI=1S/C25H31NO6/c1-7-31-25(29)20-15(5)26-17-12-14(4)19(24(28)30-6)23(27)22(17)21(20)16-10-8-9-11-18(16)32-13(2)3/h8-11,13-14,19,21,26H,7,12H2,1-6H3/t14-,19+,21+/m0/s1
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H25N3O4/c1-3-23(4-2)19(26)14-9-11-15(12-10-14)22-18(25)13-24-20(27)16-7-5-6-8-17(16)21(24)28/h5-6,9-12,16-17H,3-4,7-8,13H2,1-2H3,(H,22,25)/t16-,17+
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=CS5)C(=O)O
InChI: InChI=1S/C25H25N7O8S3/c1-2-30-7-8-31(21(37)20(30)36)24(40)28-15(12-3-5-14(33)6-4-12)18(34)27-16-19(35)32-17(23(38)39)13(9-41-22(16)32)10-42-25-29-26-11-43-25/h3-6,11,15-16,22,33H,2,7-10H2,1H3,(H,27,34)(H,28,40)(H,38,39)/t15?,16-,22-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C(=CC(=C5)Br)OC)O)C(=O)N(C4=O)C(=O)OC
InChI: InChI=1S/C26H22BrNO8/c1-10-6-17(29)21-16(22(10)30)9-14-12(19(21)15-7-11(27)8-18(35-2)23(15)31)4-5-13-20(14)25(33)28(24(13)32)26(34)36-3/h4,6-8,13-14,19-20,31H,5,9H2,1-3H3/t13-,14+,19+,20-/m0/s1
SMILES: C1=CC=C(C(=C1)C(C(=O)O)NC(=O)C2=C[N+](=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)OP(=O)(O)O)O)O)O)[N+](=O)[O-]
InChI: InChI=1S/C29H33N8O21P3/c30-24-19-25(32-11-31-24)36(12-33-19)28-23(57-59(46,47)48)21(39)17(56-28)10-54-61(51,52)58-60(49,50)53-9-16-20(38)22(40)27(55-16)35-7-3-4-13(8-35)26(41)34-18(29(42)43)14-5-1-2-6-15(14)37(44)45/h1-8,11-12,16-18,20-23,27-28,38-40H,9-10H2,(H7-,30,31,32,34,41,42,43,46,47,48,49,50,51,52)/p+1/t16-,17-,18?,20-,21-,22-,23-,27-,28-/m1/s1
SMILES: C[C@@H]([C@H]1C[C@@H]2CC[C@H]1C2)NS(=O)(=O)C3=CC=CC=C3Cl
InChI: InChI=1S/C15H20ClNO2S/c1-10(13-9-11-6-7-12(13)8-11)17-20(18,19)15-5-3-2-4-14(15)16/h2-5,10-13,17H,6-9H2,1H3/t10-,11+,12-,13+/m0/s1
SMILES: CCOC(=O)C1=NN[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C14H12N4O6/c1-2-24-14(21)11-9-10(15-16-11)13(20)17(12(9)19)7-4-3-5-8(6-7)18(22)23/h3-6,9-10,15H,2H2,1H3/t9-,10+/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@H]4[C@H](N4P(=O)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)Br)C
InChI: InChI=1S/C31H32BrN2O4PS/c1-30(2)22-17-18-31(30)20-40(37,38)34(26(31)19-22)29(35)28-27(21-13-15-23(32)16-14-21)33(28)39(36,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,22,26-28H,17-20H2,1-2H3/t22-,26-,27-,28-,31-,33?/m1/s1
SMILES: C[C@@]12CCC3C(=CCC4[C@@]3(CCC(=O)C4(C)C)C)[C@]1(CC[C@H]2C5CC(O[C@H]5O)[C@H](C(C)(C)O)O)C
InChI: InChI=1S/C30H48O5/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(35-25(17)33)24(32)27(3,4)34/h8,17-19,21-22,24-25,32-34H,9-16H2,1-7H3/t17?,18-,19?,21?,22?,24+,25+,28+,29-,30+/m0/s1
SMILES: CC(=O)[C@H]1[C@H](NC(=O)N[C@@]1(C(F)(F)F)O)C2=CC(=C(C=C2)F)F
InChI: InChI=1S/C13H11F5N2O3/c1-5(21)9-10(6-2-3-7(14)8(15)4-6)19-11(22)20-12(9,23)13(16,17)18/h2-4,9-10,23H,1H3,(H2,19,20,22)/t9-,10+,12+/m0/s1
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
InChI: InChI=1S/C27H30O15/c28-7-15-20(34)23(37)26(42-27-24(38)22(36)19(33)16(8-29)41-27)25(40-15)18-12(32)6-14-17(21(18)35)11(31)5-13(39-14)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25+,26-,27?/m1/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C24H24O9/c1-14(25)30-20-13-29-24(23(32-16(3)27)22(20)31-15(2)26)33-19-11-9-18(10-12-19)21(28)17-7-5-4-6-8-17/h4-12,20,22-24H,13H2,1-3H3/t20-,22+,23-,24+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@@H](C([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CN=NC=C5
InChI: InChI=1S/C25H17N5O/c26-15-25(16-27)21-11-10-17-6-4-5-9-20(17)30(21)23(22(25)19-12-13-28-29-14-19)24(31)18-7-2-1-3-8-18/h1-14,21-23H/t21-,22+,23+/m1/s1
SMILES: CC1O[C@@H]2[C@@H](C([C@H]([C@@H](C2OCC3=CC=CC=C3)O1)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5
InChI: InChI=1S/C29H32O6/c1-20-34-28-25(31-17-21-11-5-2-6-12-21)24(30)26(32-18-22-13-7-3-8-14-22)29(35-20)27(28)33-19-23-15-9-4-10-16-23/h2-16,20,24-30H,17-19H2,1H3/t20?,24?,25-,26-,27?,28-,29+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)C2=CC3=C(N2)C=CC(=C3)C
InChI: InChI=1S/C18H24N2O/c1-11-7-8-16-14(9-11)10-17(19-16)18(21)20-15-6-4-5-12(2)13(15)3/h7-10,12-13,15,19H,4-6H2,1-3H3,(H,20,21)/t12-,13+,15+/m1/s1
SMILES: CCCSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)NCCOC.[Na+].[Na+]
InChI: InChI=1S/C16H26N5O8PS.2Na/c1-3-6-31-16-19-13(17-4-5-27-2)10-14(20-16)21(8-18-10)15-12(23)11(22)9(29-15)7-28-30(24,25)26;;/h8-9,11-12,15,22-23H,3-7H2,1-2H3,(H,17,19,20)(H2,24,25,26);;/q;2*+1/p-2/t9-,11-,12-,15-;;/m1../s1
SMILES: CC1(CC/C=C\2/CC[C@@H](C2(C)C)[C@H]([C@H]1O)OCC3=CC=C(C=C3)OC)C
InChI: InChI=1S/C23H34O3/c1-22(2)14-6-7-17-10-13-19(23(17,3)4)20(21(22)24)26-15-16-8-11-18(25-5)12-9-16/h7-9,11-12,19-21,24H,6,10,13-15H2,1-5H3/b17-7-/t19-,20-,21-/m1/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2[C@@H]3CCCC[C@@]3(CC[NH2+]2)O)OC
InChI: InChI=1S/C17H25NO3/c1-20-12-6-7-13(15(11-12)21-2)16-14-5-3-4-8-17(14,19)9-10-18-16/h6-7,11,14,16,18-19H,3-5,8-10H2,1-2H3/p+1/t14-,16-,17-/m0/s1
SMILES: COC(=O)[C@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)OC)[C@@H]3[C@H]2C=C3
InChI: InChI=1S/C14H16O4/c1-17-13(15)11-9-5-6-10(8-4-3-7(8)9)12(11)14(16)18-2/h3-12H,1-2H3/t7-,8+,9+,10-,11+,12-
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O)CO)O)O)O
InChI: InChI=1S/C32H60O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(34)41-21-23-25(35)26(36)29(39)32(43-23)44-30-22(20-33)42-31(40)28(38)27(30)37/h22-23,25-33,35-40H,2-21H2,1H3/t22-,23-,25-,26+,27-,28+,29+,30-,31-,32+/m1/s1
SMILES: C[C@@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2C[C@H]([C@@]45[C@@]3(CC[C@@H]4C5)C)OC)C)O)C(C)C
InChI: InChI=1S/C29H50O2/c1-17(2)18(3)14-25(30)19(4)22-8-9-23-21-15-26(31-7)29-16-20(29)10-13-28(29,6)24(21)11-12-27(22,23)5/h17-26,30H,8-16H2,1-7H3/t18-,19-,20+,21?,22?,23?,24?,25-,26+,27+,28+,29-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(N2C[C@@H]3CCCO3)C4=C(OC=C4)C
InChI: InChI=1S/C21H30N4O3S/c1-14-6-3-4-8-18(14)22-19(26)13-29-21-24-23-20(17-9-11-27-15(17)2)25(21)12-16-7-5-10-28-16/h9,11,14,16,18H,3-8,10,12-13H2,1-2H3,(H,22,26)/t14-,16-,18+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N(CC2=CC=CC=C2)[C@@H](C)C(C)C
InChI: InChI=1S/C22H37NO/c1-16(2)18(4)23(15-19-10-8-7-9-11-19)22(5,6)20-13-12-17(3)14-21(20)24/h7-11,16-18,20-21,24H,12-15H2,1-6H3/t17-,18+,20-,21-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)CO
InChI: InChI=1S/C16H20N2O4/c1-11-14-13(18(10-19)15(11)20)7-8-17(14)16(21)22-9-12-5-3-2-4-6-12/h2-6,11,13-14,19H,7-10H2,1H3/t11-,13-,14+/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)[C@@H]5CCCN5C(=O)C(F)(F)F)CSC6=NC=CN6C
InChI: InChI=1S/C37H39F3N4O5S/c1-23-31(22-50-36-41-15-17-43(36)2)48-34(49-32(23)26-13-11-24(21-45)12-14-26)29-9-4-8-28(19-29)27-7-3-6-25(18-27)20-42-33(46)30-10-5-16-44(30)35(47)37(38,39)40/h3-4,6-9,11-15,17-19,23,30-32,34,45H,5,10,16,20-22H2,1-2H3,(H,42,46)/t23-,30-,31+,32+,34+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CSC(=N2)C3=CC=CC=C3
InChI: InChI=1S/C19H22N2O3S/c1-13-7-5-6-10-15(13)20-17(22)11-24-19(23)16-12-25-18(21-16)14-8-3-2-4-9-14/h2-4,8-9,12-13,15H,5-7,10-11H2,1H3,(H,20,22)/t13-,15-/m0/s1
SMILES: C/C=C/C(C)(C)C[C@H]1[C@@H]([C@H](CN1C(=O)OC(C)(C)C)C2=CC3=C(C(=C2)OC)OCO3)C(=O)N4[C@H](COC4=O)CC5=CC=CC=C5
InChI: InChI=1S/C35H44N2O8/c1-8-14-35(5,6)18-26-29(31(38)37-24(20-42-33(37)40)15-22-12-10-9-11-13-22)25(19-36(26)32(39)45-34(2,3)4)23-16-27(41-7)30-28(17-23)43-21-44-30/h8-14,16-17,24-26,29H,15,18-21H2,1-7H3/b14-8+/t24-,25+,26-,29+/m0/s1
SMILES: CC1(CC(=O)[C@@H]2[C@H](CC(=O)NC2=C1)C(=O)NCC3=CC=CC=C3)C
InChI: InChI=1S/C19H22N2O3/c1-19(2)9-14-17(15(22)10-19)13(8-16(23)21-14)18(24)20-11-12-6-4-3-5-7-12/h3-7,9,13,17H,8,10-11H2,1-2H3,(H,20,24)(H,21,23)/t13-,17+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)/C=C/C3=NC4=CC=CC=C4O3
InChI: InChI=1S/C19H22N2O2/c22-19(21-13-5-7-14-6-1-3-9-16(14)21)12-11-18-20-15-8-2-4-10-17(15)23-18/h2,4,8,10-12,14,16H,1,3,5-7,9,13H2/b12-11+/t14-,16+/m0/s1
SMILES: C1=CC=NC(=C1)SC2=CN(C(=O)NC2=O)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C14H15N3O6S/c18-6-7-10(19)11(20)13(23-7)17-5-8(12(21)16-14(17)22)24-9-3-1-2-4-15-9/h1-5,7,10-11,13,18-20H,6H2,(H,16,21,22)/t7-,10-,11+,13-/m1/s1
SMILES: C[C@@H]1[C@@H](OC(=O)N1C(=O)C[C@H](CC/C=C/CCC[C@H](C)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O)C4=CC=CC=C4
InChI: InChI=1S/C38H49NO5Si/c1-29(44-45(38(3,4)5,33-24-16-10-17-25-33)34-26-18-11-19-27-34)20-12-7-6-8-15-23-32(40)28-35(41)39-30(2)36(43-37(39)42)31-21-13-9-14-22-31/h6,8-11,13-14,16-19,21-22,24-27,29-30,32,36,40H,7,12,15,20,23,28H2,1-5H3/b8-6+/t29-,30+,32-,36+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3C[C@]4([C@@H](N(C4=O)C5=CC=C(C=C5)OC)C6=CC=CC=C6)N(C3)C(=O)OCC7=CC=CC=C7
InChI: InChI=1S/C43H44N2O5Si/c1-42(2,3)51(37-21-13-7-14-22-37,38-23-15-8-16-24-38)50-36-29-43(44(30-36)41(47)49-31-32-17-9-5-10-18-32)39(33-19-11-6-12-20-33)45(40(43)46)34-25-27-35(48-4)28-26-34/h5-28,36,39H,29-31H2,1-4H3/t36-,39+,43-/m1/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(N4CCO)N)C(=O)O
InChI: InChI=1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H4,21,22,23,29,31,32)/p+1/b24-12-/t13-,17-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=C(C=CC(=C7)Cl)O)Cl)C8=C(C(=C(C(=C8F)F)F)F)F)Cl
InChI: InChI=1S/C40H27Cl3F5N5O5/c1-51(2)20-8-4-18(5-9-20)49-50-19-6-10-21(11-7-19)52-35(55)23-13-12-22-25(27(23)36(52)56)16-39(42)37(57)53(34-32(47)30(45)29(44)31(46)33(34)48)38(58)40(39,43)28(22)24-15-17(41)3-14-26(24)54/h3-12,14-15,23,25,27-28,54H,13,16H2,1-2H3/t23-,25+,27-,28+,39+,40-/m0/s1
SMILES: CCO[C@H]1C[C@]2([C@@H](CCC2=O)[C@H]3[C@H]1C4=C(CC3)C=C(C=C4)OC(=O)C)C
InChI: InChI=1S/C22H28O4/c1-4-25-19-12-22(3)18(9-10-20(22)24)17-7-5-14-11-15(26-13(2)23)6-8-16(14)21(17)19/h6,8,11,17-19,21H,4-5,7,9-10,12H2,1-3H3/t17-,18-,19-,21+,22-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2C=C[C@H]3CO[C@@H]2O3
InChI: InChI=1S/C13H14O5S/c1-9-2-5-11(6-3-9)19(14,15)18-12-7-4-10-8-16-13(12)17-10/h2-7,10,12-13H,8H2,1H3/t10-,12+,13+/m0/s1
SMILES: C[C@@H]1CCN(C[C@@H]1N(C)C2=C3C=CNC3=NC=C2)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C21H25N5O/c1-15-10-13-26(21(27)24-16-6-4-3-5-7-16)14-19(15)25(2)18-9-12-23-20-17(18)8-11-22-20/h3-9,11-12,15,19H,10,13-14H2,1-2H3,(H,22,23)(H,24,27)/t15-,19+/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9
InChI: InChI=1S/C47H35Cl2F3N4O7/c1-2-63-36-10-6-9-32(40(36)58)38-30-19-20-31-37(44(61)55(42(31)59)29-17-11-25(12-18-29)39(57)24-7-4-3-5-8-24)33(30)22-34-43(60)56(45(62)46(34,38)26-13-15-28(48)16-14-26)54-41-35(49)21-27(23-53-41)47(50,51)52/h3-19,21,23,31,33-34,37-38,58H,2,20,22H2,1H3,(H,53,54)/t31-,33+,34-,37-,38+,46+/m0/s1
SMILES: C=C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)Br
InChI: InChI=1S/C11H12BrN5O3/c1-4(12)8-6(18)7(19)11(20-8)17-3-16-5-9(13)14-2-15-10(5)17/h2-3,6-8,11,18-19H,1H2,(H2,13,14,15)/t6-,7+,8+,11+/m0/s1
SMILES: CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC[C@H]4CCCC[C@H]4C3
InChI: InChI=1S/C22H29N3O2S/c1-15(2)25-21(27)18-9-5-6-10-19(18)23-22(25)28-14-20(26)24-12-11-16-7-3-4-8-17(16)13-24/h5-6,9-10,15-17H,3-4,7-8,11-14H2,1-2H3/t16-,17+/m1/s1