EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@@]2(CC3=C1N=C(S3)NC(=O)CN(C)C)C)[C@H](C)C(=O)N(C)CC4=CC=CC=C4)O
InChI: InChI=1S/C28H40N4O3S/c1-17(26(35)32(6)15-19-10-8-7-9-11-19)20-12-13-28(3)14-21-24(18(2)23(28)25(20)34)30-27(36-21)29-22(33)16-31(4)5/h7-11,17-18,20,23,25,34H,12-16H2,1-6H3,(H,29,30,33)/t17-,18-,20+,23+,25-,28+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC(=O)NC3CC3
InChI: InChI=1S/C16H22N4O5/c1-9-4-2-3-5-11(9)20-14(23)13(22)19(16(20)25)8-12(21)18-15(24)17-10-6-7-10/h9-11H,2-8H2,1H3,(H2,17,18,21,24)/t9-,11+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@]45CCC(=O)O5)C
InChI: InChI=1S/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,16-18H,3-12H2,1-2H3/t16-,17+,18-,20+,21+,22-/m1/s1
SMILES: CC[C@]1(CCCN2[C@H]1C3=C(CC2)C4=CC=CC=C4N3)CCC(=O)OC
InChI: InChI=1S/C21H28N2O2/c1-3-21(12-9-18(24)25-2)11-6-13-23-14-10-16-15-7-4-5-8-17(15)22-19(16)20(21)23/h4-5,7-8,20,22H,3,6,9-14H2,1-2H3/t20-,21-/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)C4=CC=CC=C4CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CSC6=NN=NN6C
InChI: InChI=1S/C35H30F5N5O4S/c1-18-25(17-50-35-42-43-44-45(35)2)48-34(49-32(18)21-9-7-19(16-46)8-10-21)22-13-11-20(12-14-22)24-6-4-3-5-23(24)15-41-33(47)26-27(36)29(38)31(40)30(39)28(26)37/h3-14,18,25,32,34,46H,15-17H2,1-2H3,(H,41,47)/t18-,25+,32+,34+/m1/s1
SMILES: C[C@H]1CN(CC[C@@H]1O)CCN2CCC(CC2)NC(=O)C3=CC4=C(N3)C=CC=C4OCC5=COC=C5
InChI: InChI=1S/C27H36N4O4/c1-19-16-31(11-7-25(19)32)13-12-30-9-5-21(6-10-30)28-27(33)24-15-22-23(29-24)3-2-4-26(22)35-18-20-8-14-34-17-20/h2-4,8,14-15,17,19,21,25,29,32H,5-7,9-13,16,18H2,1H3,(H,28,33)/t19-,25-/m0/s1
SMILES: CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3[C@@H](C3(C)C)C=C(Cl)Cl
InChI: InChI=1S/C20H22Cl2N4O3S/c1-11-9-17(24-12(2)23-11)26-30(28,29)14-7-5-13(6-8-14)25-19(27)18-15(10-16(21)22)20(18,3)4/h5-10,15,18H,1-4H3,(H,25,27)(H,23,24,26)/t15-,18+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C([C@H]3CCCC[C@@H]3N2C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C25H31N/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-6,11-14,21-25H,7-10,15-18H2/t21-,22+,23-,24+,25?
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)C=C
InChI: InChI=1S/C22H44O6Si2/c1-14-16(23)26-17-15(2)25-20(24-9)19(28-30(12,13)22(6,7)8)18(17)27-29(10,11)21(3,4)5/h14-15,17-20H,1H2,2-13H3/t15-,17-,18+,19-,20+/m1/s1
SMILES: CCCC1([C@H]([C@H]([NH+]([C@@H]([C@@H]1C)C2=CC=CC=C2)C)C3=CC=CC=C3)C)O
InChI: InChI=1S/C23H31NO/c1-5-16-23(25)17(2)21(19-12-8-6-9-13-19)24(4)22(18(23)3)20-14-10-7-11-15-20/h6-15,17-18,21-22,25H,5,16H2,1-4H3/p+1/t17-,18-,21-,22-/m0/s1
SMILES: CCOC1=CC=CC=C1N2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@@H]3C6=CC=CC=C6
InChI: InChI=1S/C28H21NO6/c1-2-34-20-15-9-8-14-19(20)29-26(32)21-22(27(29)33)28(35-23(21)16-10-4-3-5-11-16)24(30)17-12-6-7-13-18(17)25(28)31/h3-15,21-23H,2H2,1H3/t21-,22+,23-/m1/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)OC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C22H28N2O5/c1-13-7-6-8-14(2)19(13)23-20(26)15(3)29-18(25)11-12-24-21(27)16-9-4-5-10-17(16)22(24)28/h6-8,15-17H,4-5,9-12H2,1-3H3,(H,23,26)/t15-,16-,17+/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)Cl)O)O)O)O)O
InChI: InChI=1S/C12H21ClO10/c13-6-4(1-14)21-11(9(19)8(6)18)23-12(3-16)10(20)7(17)5(2-15)22-12/h4-11,14-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1
SMILES: C1COCCN1C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C19H22N6O6/c26-19(24-3-5-27-6-4-24)20-12-8-28-17-13(9-29-16(12)17)25-18(21-22-23-25)11-1-2-14-15(7-11)31-10-30-14/h1-2,7,12-13,16-17H,3-6,8-10H2,(H,20,26)/t12-,13-,16+,17+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2N(CCCOC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)C6=CC=C(C=C6)C
InChI: InChI=1S/C43H48N2O5S2/c1-34-24-28-39(29-25-34)51(46,47)44(3)41-22-13-14-23-42(41)45(52(48,49)40-30-26-35(2)27-31-40)32-15-33-50-43(36-16-7-4-8-17-36,37-18-9-5-10-19-37)38-20-11-6-12-21-38/h4-12,16-21,24-31,41-42H,13-15,22-23,32-33H2,1-3H3/t41-,42-/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)C(=O)C8=CC=CC=C8
InChI: InChI=1S/C41H27Cl2F5N2O6/c1-17-14-21(15-18(2)34(17)51)27-23-12-13-24-26(37(54)49(36(24)53)22-10-8-20(9-11-22)35(52)19-6-4-3-5-7-19)25(23)16-40(42)38(55)50(39(56)41(27,40)43)33-31(47)29(45)28(44)30(46)32(33)48/h3-12,14-15,24-27,51H,13,16H2,1-2H3/t24-,25+,26-,27-,40+,41-/m0/s1
SMILES: C[C@@H](C1=CC2=C(C=C1)OCO2)N3C[C@@]45C=C[C@@H](O4)[C@@H]([C@@H]5C3=O)C(=O)[O-]
InChI: InChI=1S/C18H17NO6/c1-9(10-2-3-11-13(6-10)24-8-23-11)19-7-18-5-4-12(25-18)14(17(21)22)15(18)16(19)20/h2-6,9,12,14-15H,7-8H2,1H3,(H,21,22)/p-1/t9-,12+,14-,15+,18+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@H]1OC(=O)C=C)OC)COCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C26H30O8/c1-4-22(28)34-25-24(32-18(2)27)23(31-16-20-13-9-6-10-14-20)21(33-26(25)29-3)17-30-15-19-11-7-5-8-12-19/h4-14,21,23-26H,1,15-17H2,2-3H3/t21-,23-,24+,25+,26+/m1/s1
SMILES: C1COCCN1CCN2C(=O)O[C@@H]([C@]2(C3=CC=CC=C3)O)C4=CC=CC=C4
InChI: InChI=1S/C21H24N2O4/c24-20-23(12-11-22-13-15-26-16-14-22)21(25,18-9-5-2-6-10-18)19(27-20)17-7-3-1-4-8-17/h1-10,19,25H,11-16H2/t19-,21+/m1/s1
SMILES: C[C@]12CC=C3[C@]([C@@H]1C[C@@]4(C(=C)[C@]2(C[C@@](C4=O)(C)O)C(=O)OC)C)([C@@H](CC(=O)C3(C)C)O)C
InChI: InChI=1S/C26H36O6/c1-14-22(4)12-16-23(5,26(14,20(30)32-8)13-24(6,31)19(22)29)10-9-15-21(2,3)17(27)11-18(28)25(15,16)7/h9,16,18,28,31H,1,10-13H2,2-8H3/t16-,18-,22-,23+,24-,25-,26-/m1/s1
SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O
InChI: InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CN=C5)C
InChI: InChI=1S/C23H28N2O/c1-22-9-7-17(26)11-16(22)3-4-18-20-6-5-19(15-12-24-14-25-13-15)23(20,2)10-8-21(18)22/h5,11-14,18,20-21H,3-4,6-10H2,1-2H3/t18-,20-,21-,22-,23+/m0/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@@H](C)OC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C22H26N2O5/c1-13-8-9-18(14(2)12-13)23-20(26)15(3)29-19(25)10-11-24-21(27)16-6-4-5-7-17(16)22(24)28/h4-5,8-9,12,15-17H,6-7,10-11H2,1-3H3,(H,23,26)/t15-,16-,17+/m1/s1
SMILES: C1=CC=C(C=C1)OCC(=O)N[C@H]2[C@@H]3N(C2=O)C(=CC(=O)S3)C(=O)O
InChI: InChI=1S/C15H12N2O6S/c18-10(7-23-8-4-2-1-3-5-8)16-12-13(20)17-9(15(21)22)6-11(19)24-14(12)17/h1-6,12,14H,7H2,(H,16,18)(H,21,22)/t12-,14-/m1/s1
SMILES: C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O.[NH4+].[NH4+]
InChI: InChI=1S/C29H48N6O16.2H3N/c1-11(31-24(41)13(3)50-22-20(33-14(4)37)29(49)51-18(10-36)21(22)39)23(40)35-17(28(47)48)8-9-19(38)34-16(7-5-6-15(30)27(45)46)25(42)32-12(2)26(43)44;;/h11-13,15-18,20-22,29,36,39,49H,5-10,30H2,1-4H3,(H,31,41)(H,32,42)(H,33,37)(H,34,38)(H,35,40)(H,43,44)(H,45,46)(H,47,48);2*1H3/t11-,12+,13+,15+,16-,17+,18+,20+,21+,22+,29?;;/m0../s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2CCCCC2)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H30Cl3NO10/c1-11(26)30-9-15-17(32-12(2)27)18(33-13(3)28)16(25-20(29)31-10-21(22,23)24)19(35-15)34-14-7-5-4-6-8-14/h14-19H,4-10H2,1-3H3,(H,25,29)/t15-,16-,17-,18-,19-/m1/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)N2[C@H](CC(=N2)C3=CC=C(C=C3)C)C4=CC=CO4
InChI: InChI=1S/C21H22N2O4/c1-13-5-7-15(8-6-13)17-11-18(19-4-3-9-26-19)23(22-17)20(24)12-27-21(25)16-10-14(16)2/h3-9,14,16,18H,10-12H2,1-2H3/t14-,16-,18+/m0/s1
SMILES: CSC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4F)ON2C5=CC=CC=C5
InChI: InChI=1S/C24H19FN2O3S/c1-31-17-13-11-15(12-14-17)21-20-22(30-27(21)16-7-3-2-4-8-16)24(29)26(23(20)28)19-10-6-5-9-18(19)25/h2-14,20-22H,1H3/t20-,21-,22+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C=C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C30H32O6/c1-3-26-27(32-19-23-13-7-4-8-14-23)28(33-20-24-15-9-5-10-16-24)29(30(36-26)35-22(2)31)34-21-25-17-11-6-12-18-25/h3-18,26-30H,1,19-21H2,2H3/t26-,27-,28+,29-,30+/m1/s1
SMILES: C[C@@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@H]([C@@H]3C4=CC=C(C=C4)Br)C)C(=O)N2[C@H]1C5=CC=C(C=C5)Br
InChI: InChI=1S/C26H28Br2N2O2/c1-15-3-13-21-26(32)30-22(14-4-16(2)24(30)18-7-11-20(28)12-8-18)25(31)29(21)23(15)17-5-9-19(27)10-6-17/h5-12,15-16,21-24H,3-4,13-14H2,1-2H3/t15-,16-,21+,22+,23-,24-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3CC=C([C@@H]([C@@]3(C2=O)C4=CC=CC=C4)C5=CC=CC(=C5O)CC=C)C=C
InChI: InChI=1S/C32H30N2O3/c1-4-10-23-11-9-14-26(29(23)35)28-22(5-2)17-20-27-30(36)34(33-25-18-15-21(3)16-19-25)31(37)32(27,28)24-12-7-6-8-13-24/h4-9,11-19,27-28,33,35H,1-2,10,20H2,3H3/t27-,28+,32+/m0/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CCC3C2CC[C@@]45C3CC[C@@H]4CC[C@@H](C5)C#N)O
InChI: InChI=1S/C23H35NO/c1-22-10-8-18(25)12-17(22)4-6-19-20(22)9-11-23-13-15(14-24)2-3-16(23)5-7-21(19)23/h15-21,25H,2-13H2,1H3/t15-,16-,17-,18+,19?,20?,21?,22-,23-/m0/s1
SMILES: CC1=CC=CC=C1NC(=O)N(CCO[C@@H]2C[C@@H]3CC[C@]2(C3(C)C)C)C4CCCCC4
InChI: InChI=1S/C26H40N2O2/c1-19-10-8-9-13-22(19)27-24(29)28(21-11-6-5-7-12-21)16-17-30-23-18-20-14-15-26(23,4)25(20,2)3/h8-10,13,20-21,23H,5-7,11-12,14-18H2,1-4H3,(H,27,29)/t20-,23+,26+/m0/s1
SMILES: CC(=O)NCCCCC(C)(C)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=CC5=C(C=C4)OCO5
InChI: InChI=1S/C34H47N3O10S/c1-23(38)35-15-8-7-14-34(2,3)21-37(48(41,42)25-11-12-29-30(18-25)46-22-45-29)19-28(39)27(17-24-9-5-4-6-10-24)36-33(40)47-31-20-44-32-26(31)13-16-43-32/h4-6,9-12,18,26-28,31-32,39H,7-8,13-17,19-22H2,1-3H3,(H,35,38)(H,36,40)/t26-,27-,28+,31-,32+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@H]3COC(=O)[C@@H]3[C@@H](C4=CC5=C(C=C24)OCO5)OC(=O)NCCCN
InChI: InChI=1S/C25H28N2O9/c1-31-18-6-12(7-19(32-2)22(18)28)20-13-8-16-17(35-11-34-16)9-14(13)23(21-15(20)10-33-24(21)29)36-25(30)27-5-3-4-26/h6-9,15,20-21,23,28H,3-5,10-11,26H2,1-2H3,(H,27,30)/t15-,20-,21+,23-/m1/s1
SMILES: CCCCCCCCCCCCC/C(=C/[C@@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)OCOC)/[Si](C)(C)C2=CC=CC=C2
InChI: InChI=1S/C58H116O9Si5/c1-25-26-27-28-29-30-31-32-33-34-36-41-47(68(15,16)46-39-37-35-38-40-46)42-49(62-45-60-14)48(59)43-61-54-53(67-72(23,24)58(11,12)13)52(66-71(21,22)57(8,9)10)51(65-70(19,20)56(5,6)7)50(64-54)44-63-69(17,18)55(2,3)4/h35,37-40,42,48-54,59H,25-34,36,41,43-45H2,1-24H3/b47-42-/t48-,49-,50+,51+,52-,53+,54+/m0/s1
SMILES: C1CCC(CC1)C[C@@H](C(=O)N(CCC2=C(C=C(C=C2)Cl)Cl)CCC(=O)O)NC(=O)[C@@H]3CCCC[C@H]3C(=O)O
InChI: InChI=1S/C28H38Cl2N2O6/c29-20-11-10-19(23(30)17-20)12-14-32(15-13-25(33)34)27(36)24(16-18-6-2-1-3-7-18)31-26(35)21-8-4-5-9-22(21)28(37)38/h10-11,17-18,21-22,24H,1-9,12-16H2,(H,31,35)(H,33,34)(H,37,38)/t21-,22-,24+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)NC2CCN(CC2)C[C@H](CN3C=CC4=CC=CC=C43)O)O
InChI: InChI=1S/C22H33N3O2/c26-19(16-25-14-9-17-5-1-3-7-21(17)25)15-24-12-10-18(11-13-24)23-20-6-2-4-8-22(20)27/h1,3,5,7,9,14,18-20,22-23,26-27H,2,4,6,8,10-13,15-16H2/t19-,20-,22+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](N(C(=O)C1=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C20H18ClNO4/c1-3-26-20(25)16-17(13-6-8-14(21)9-7-13)22(19(24)18(16)23)15-10-4-12(2)5-11-15/h4-11,16-17H,3H2,1-2H3/t16-,17-/m0/s1
SMILES: COC1=C(C(=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O[C@H]3[C@@H]([C@H](C([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C24H32O11/c1-30-14-8-7-13(6-5-12-9-15(31-2)23(33-4)16(10-12)32-3)22(19(14)27)35-24-21(29)20(28)18(26)17(11-25)34-24/h7-10,17-18,20-21,24-29H,5-6,11H2,1-4H3/t17-,18?,20+,21-,24+/m1/s1
SMILES: CC1(OC[C@]23[C@H](O1)[C@H]([C@@]4(O2)CO[C@@]4([C@]3(COCC5=CC=CC=C5)OCC6=CC=CC=C6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)C
InChI: InChI=1S/C41H44O8/c1-37(2)46-27-39-36(48-37)35(44-25-33-19-11-5-12-20-33)38(49-39)28-47-41(38,30-43-24-32-17-9-4-10-18-32)40(39,45-26-34-21-13-6-14-22-34)29-42-23-31-15-7-3-8-16-31/h3-22,35-36H,23-30H2,1-2H3/t35-,36-,38+,39-,40-,41+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)NS(=O)(=O)C2=CC=CC=C2)I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H58INO6SSi3/c1-28(2,3)40(10,11)35-21-23-25(37-41(12,13)29(4,5)6)26(38-42(14,15)30(7,8)9)24(31)27(36-23)32-39(33,34)22-19-17-16-18-20-22/h16-20,23-27,32H,21H2,1-15H3/t23-,24+,25-,26-,27+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C=CC5=CC=CC=C5)C)C
InChI: InChI=1S/C36H52O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-15,19,25-26,29-33H,9-11,16-18,20-24H2,1-5H3/t26-,29+,30+,31-,32+,33+,35+,36-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CN6CCC[C@H]6COC
InChI: InChI=1S/C37H43N3O8/c1-24-32(20-39-17-7-12-30(39)23-45-2)47-36(48-34(24)27-15-13-25(21-41)14-16-27)28-10-6-11-29(18-28)40-33(42)19-31(35(40)43)38-37(44)46-22-26-8-4-3-5-9-26/h3-6,8-11,13-16,18,24,30-32,34,36,41H,7,12,17,19-23H2,1-2H3,(H,38,44)/t24-,30+,31?,32+,34+,36+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3
InChI: InChI=1S/C20H31N3O/c1-16-8-6-7-11-19(16)21-20(24)17(2)22-12-14-23(15-13-22)18-9-4-3-5-10-18/h3-5,9-10,16-17,19H,6-8,11-15H2,1-2H3,(H,21,24)/p+1/t16-,17+,19-/m0/s1
SMILES: C[C@@]12[C@H]3[C@H]([C@@H]4[C@H]5CCC[C@H]5[C@H]3N=[N+]4/C(=C/C(=O)OC)/C(=O)OC)[C@@](C1(C)C)(N=N2)C
InChI: InChI=1S/C22H31N4O4/c1-20(2)21(3)15-16(22(20,4)25-24-21)18-12-9-7-8-11(12)17(15)23-26(18)13(19(28)30-6)10-14(27)29-5/h10-12,15-18H,7-9H2,1-6H3/q+1/b13-10+/t11-,12+,15+,16-,17-,18+,21-,22+/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]4CCO)C)O
InChI: InChI=1S/C21H36O2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22)5-3-15-13-16(23)7-10-21(15,19)2/h14-19,22-23H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+,20-,21+/m1/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CS)C
InChI: InChI=1S/C12H20O5S/c1-11(2)14-7-6(5-18)13-10-9(8(7)15-11)16-12(3,4)17-10/h6-10,18H,5H2,1-4H3/t6-,7+,8+,9-,10-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC4=C2NN=C4C(=O)O)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C20H22N2O3/c1-20-7-6-13-12-5-3-11(23)8-10(12)2-4-14(13)16(20)9-15-17(19(24)25)21-22-18(15)20/h3,5,8,13-14,16,23H,2,4,6-7,9H2,1H3,(H,21,22)(H,24,25)/t13-,14-,16+,20+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)C(=O)C6=CC=C(C=C6)N=[N+]=[N-])C)OC(=O)C
InChI: InChI=1S/C38H41N3O11/c1-19-26(44)17-38(48)33(51-34(47)23-10-8-7-9-11-23)31-36(6,32(46)30(50-20(2)42)28(19)35(38,4)5)25(16-27-37(31,18-49-27)52-21(3)43)29(45)22-12-14-24(15-13-22)40-41-39/h7-15,25-27,30-31,33,44,48H,16-18H2,1-6H3/t25-,26+,27-,30-,31+,33+,36-,37+,38-/m1/s1
SMILES: CC(C)[C@H](C(=O)C1=CC=CC=C1)NC(=O)C[C@@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)(C)S(=O)(=O)C)NC(=O)OC(C)C
InChI: InChI=1S/C33H45N3O8S/c1-20(2)27(28(38)23-16-12-9-13-17-23)35-26(37)19-25-29(44-25)24(18-22-14-10-8-11-15-22)34-31(39)30(33(5,6)45(7,41)42)36-32(40)43-21(3)4/h8-17,20-21,24-25,27,29-30H,18-19H2,1-7H3,(H,34,39)(H,35,37)(H,36,40)/t24-,25+,27+,29+,30+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI: InChI=1S/C23H27NO4/c1-16-7-6-10-21(17(16)2)24-22(25)15-27-23(26)18-11-13-20(14-12-18)28-19-8-4-3-5-9-19/h3-5,8-9,11-14,16-17,21H,6-7,10,15H2,1-2H3,(H,24,25)/t16-,17+,21+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC=C)SC3=NN=C(N3C)C4=CC=CC=C4)O
InChI: InChI=1S/C21H22N4O4S/c1-4-10-29-20(28)17-15(11-14-16(12(2)26)19(27)25(14)17)30-21-23-22-18(24(21)3)13-8-6-5-7-9-13/h4-9,12,14,16,26H,1,10-11H2,2-3H3/t12-,14-,16-/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CO[Si](C)(C)C(C)(C)C)(C)C
InChI: InChI=1S/C21H40OSi/c1-16-11-12-18-20(5,6)13-10-14-21(18,7)17(16)15-22-23(8,9)19(2,3)4/h17-18H,1,10-15H2,2-9H3/t17-,18-,21+/m0/s1
SMILES: CCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O
InChI: InChI=1S/C27H38O7/c1-3-4-22(29)34-18-5-10-25(16-28)20-6-9-24(2)19(17-13-23(30)33-15-17)8-12-27(24,32)21(20)7-11-26(25,31)14-18/h13,16,18-21,31-32H,3-12,14-15H2,1-2H3/t18-,19+,20?,21?,24+,25-,26-,27-/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)([C@@]34CC[C@@H]3[C@@H]5C[C@H]4C=C5)O
InChI: InChI=1S/C24H26O3/c1-26-20-9-5-17(6-10-20)24(25,18-7-11-21(27-2)12-8-18)23-14-13-22(23)16-3-4-19(23)15-16/h3-12,16,19,22,25H,13-15H2,1-2H3/t16-,19+,22+,23+/m0/s1
SMILES: CCCCOC1=CC=C(C=C1)[C@H]2[C@@H]3C(=NC4=CC=CC=C4N2C(=O)C(F)(F)F)CC(CC3=O)(C)C
InChI: InChI=1S/C27H29F3N2O3/c1-4-5-14-35-18-12-10-17(11-13-18)24-23-20(15-26(2,3)16-22(23)33)31-19-8-6-7-9-21(19)32(24)25(34)27(28,29)30/h6-13,23-24H,4-5,14-16H2,1-3H3/t23-,24+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)NC[C@@H]2[C@@H]([C@H]2C(=O)O)C(C(=O)O)N
InChI: InChI=1S/C14H16N2O5/c15-11(14(20)21)9-8(10(9)13(18)19)6-16-12(17)7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)(H,20,21)/t8-,9+,10+,11?/m1/s1
SMILES: CCCC(CCC)(CCCC[C@@H](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)O
InChI: InChI=1S/C32H54O3/c1-6-17-32(35,18-7-2)20-9-8-11-23(3)28-15-16-29-25(12-10-19-31(28,29)5)13-14-26-21-27(33)22-30(34)24(26)4/h13-14,23,27-30,33-35H,4,6-12,15-22H2,1-3,5H3/b25-13+,26-14-/t23-,27-,28-,29+,30+,31-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@H]3CCC[C@@H](C3=C(N2C1=O)C(=O)OCC=C)CSC[C@@H]4CCCN4C(=O)OCC=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H50N2O6SSi/c1-9-17-38-30(36)28-26-22(19-41-20-23-14-12-16-33(23)31(37)39-18-10-2)13-11-15-24(26)27-25(29(35)34(27)28)21(3)40-42(7,8)32(4,5)6/h9-10,21-25,27H,1-2,11-20H2,3-8H3/t21-,22-,23+,24+,25-,27-/m1/s1
SMILES: C1[C@@]2([C@H](O1)[C@@H]([C@H](O2)CO)OCC3=CC=CC=C3)N4C=CC(=O)NC4=O
InChI: InChI=1S/C17H18N2O6/c20-8-12-14(23-9-11-4-2-1-3-5-11)15-17(25-12,10-24-15)19-7-6-13(21)18-16(19)22/h1-7,12,14-15,20H,8-10H2,(H,18,21,22)/t12-,14-,15-,17-/m1/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)Cl)C(=O)N4CCCCC4
InChI: InChI=1S/C20H27ClN2O/c1-22-16-9-10-18(22)19(20(24)23-11-3-2-4-12-23)17(13-16)14-5-7-15(21)8-6-14/h5-8,16-19H,2-4,9-13H2,1H3/t16-,17+,18+,19-/m0/s1
SMILES: CC(=O)OC[C@@]1([C@@H](CC[C@]2(C1CCC(=C)[C@@H]2CC(C3=CCOC3=O)NC(CC4=CC=CC=C4)C(C(=O)OC)O)C)OC(=O)C)C
InChI: InChI=1S/C35H47NO9/c1-21-12-13-29-34(4,16-14-30(45-23(3)38)35(29,5)20-44-22(2)37)26(21)19-27(25-15-17-43-32(25)40)36-28(31(39)33(41)42-6)18-24-10-8-7-9-11-24/h7-11,15,26-31,36,39H,1,12-14,16-20H2,2-6H3/t26-,27?,28?,29?,30+,31?,34+,35-/m0/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1/C(=C/[C@H](C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)/C)(C)C)[C@@H](C)[C@@H]([C@H](C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)OC
InChI: InChI=1S/C45H74O7Si2/c1-31(30-48-54(44(11,12)13,35-25-21-19-22-26-35)36-27-23-20-24-28-36)29-32(2)37-33(3)38(50-45(14,15)49-37)34(4)39(47-16)40(41(46)51-42(5,6)7)52-53(17,18)43(8,9)10/h19-29,31,33-34,37-40H,30H2,1-18H3/b32-29+/t31-,33+,34+,37-,38-,39-,40+/m0/s1
SMILES: CCOCO[C@H]1CC[C@]2([C@@H](C1)CCC3C2CC[C@]4([C@@]3(CCC4=O)O)C)C
InChI: InChI=1S/C22H36O4/c1-4-25-14-26-16-7-10-20(2)15(13-16)5-6-18-17(20)8-11-21(3)19(23)9-12-22(18,21)24/h15-18,24H,4-14H2,1-3H3/t15-,16+,17?,18?,20+,21-,22+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3(CC[C@@H]([C@]([C@H]3[C@H]4[C@@](C2(C)C)(CC1=O)OC(=O)O4)(CO)O)OC(=O)[C@H]([C@@H](C5=CC=CC=C5)O)O)C)OC(=O)C
InChI: InChI=1S/C32H38O13/c1-15-18(35)13-32-26(44-28(40)45-32)24-30(5,25(38)23(42-16(2)34)20(15)29(32,3)4)12-11-19(31(24,41)14-33)43-27(39)22(37)21(36)17-9-7-6-8-10-17/h6-10,19,21-24,26,33,36-37,41H,11-14H2,1-5H3/t19-,21+,22-,23+,24-,26-,30+,31-,32+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2C[C@@H](N([C@@H]2/C=C/CCBr)C(=O)OC(C)(C)C)C=C
InChI: InChI=1S/C22H30BrNO4S/c1-6-17-15-20(29(26,27)18-12-10-16(2)11-13-18)19(9-7-8-14-23)24(17)21(25)28-22(3,4)5/h6-7,9-13,17,19-20H,1,8,14-15H2,2-5H3/b9-7+/t17-,19+,20+/m0/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C#N)C)O
InChI: InChI=1S/C20H31NO/c1-19-9-7-15(22)11-13(19)3-5-16-17-6-4-14(12-21)20(17,2)10-8-18(16)19/h13-18,22H,3-11H2,1-2H3/t13-,14+,15+,16-,17-,18-,19-,20+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OC(=O)C)O)O)O
InChI: InChI=1S/C19H28N2O19P2/c1-7(22)34-5-9-12(25)13(26)14(27)18(38-9)39-42(32,33)40-41(30,31)35-6-10-16(36-8(2)23)15(28)17(37-10)21-4-3-11(24)20-19(21)29/h3-4,9-10,12-18,25-28H,5-6H2,1-2H3,(H,30,31)(H,32,33)(H,20,24,29)/t9-,10-,12-,13+,14-,15-,16-,17-,18-/m1/s1
SMILES: CCCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=C(C=C5OC)OC)OC
InChI: InChI=1S/C29H30N2O7/c1-5-15-37-20-13-11-18(12-14-20)30-28(32)25-26(21-16-23(35-3)24(36-4)17-22(21)34-2)31(38-27(25)29(30)33)19-9-7-6-8-10-19/h6-14,16-17,25-27H,5,15H2,1-4H3/t25-,26-,27-/m0/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)C8=CC(=C(C=C8)O)OC)C(=O)N(C7=O)C(=O)OC)C
InChI: InChI=1S/C37H33ClN4O8S/c1-16-21-13-18(38)7-11-27(21)51-31(16)24-15-28(40(3)39-24)41-33(45)23-14-22-19(8-9-20-29(22)34(46)42(32(20)44)36(48)50-5)30(37(23,2)35(41)47)17-6-10-25(43)26(12-17)49-4/h6-8,10-13,15,20,22-23,29-30,43H,9,14H2,1-5H3/t20-,22+,23-,29-,30-,37+/m0/s1
SMILES: CCCCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@]4(C(=C([C@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C19H15Cl6NO3/c1-2-3-8-29-10-6-4-9(5-7-10)26-15(27)11-12(16(26)28)18(23)14(21)13(20)17(11,22)19(18,24)25/h4-7,11-12H,2-3,8H2,1H3/t11-,12+,17-,18-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OCCNCCCN)O)O)N
InChI: InChI=1S/C22H46N6O10/c23-2-1-3-28-4-5-34-19-12(8-29)36-22(17(19)33)38-20-14(30)9(25)6-10(26)18(20)37-21-13(27)16(32)15(31)11(7-24)35-21/h9-22,28-33H,1-8,23-27H2/t9-,10+,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22+/m1/s1
SMILES: CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)O)CC)OC)C(=O)OC)O
InChI: InChI=1S/C44H56N4O8/c1-7-40(52)22-26-23-43(38(50)55-5,34-28(14-18-47(24-26)25-40)27-12-9-10-13-31(27)45-34)30-20-29-32(21-33(30)54-4)46(3)36-42(29)16-19-48-17-11-15-41(8-2,35(42)48)37(49)44(36,53)39(51)56-6/h9-13,15,20-21,26,35-37,45,49,52-53H,7-8,14,16-19,22-25H2,1-6H3/t26-,35+,36-,37-,40+,41-,42?,43+,44+/m1/s1
SMILES: C1CC2=CC=CC=C2[C@@]3(C1)[C@H]4C5=CC=CC=C5OC6=C(N4C(=O)O3)C=C(C=C6)Cl
InChI: InChI=1S/C24H18ClNO3/c25-16-11-12-21-19(14-16)26-22(17-8-2-4-10-20(17)28-21)24(29-23(26)27)13-5-7-15-6-1-3-9-18(15)24/h1-4,6,8-12,14,22H,5,7,13H2/t22-,24+/m1/s1
SMILES: CCO[C@@H]1C=C[C@H]([C@H](O1)CO[Si](C)(C)C(C)(C)C)SC2=NC3=CC=CC=C3S2
InChI: InChI=1S/C21H31NO3S2Si/c1-7-23-19-13-12-18(16(25-19)14-24-28(5,6)21(2,3)4)27-20-22-15-10-8-9-11-17(15)26-20/h8-13,16,18-19H,7,14H2,1-6H3/t16-,18-,19+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O
InChI: InChI=1S/C16H19N3O5/c1-10-4-2-3-5-12(10)17-15(20)9-18-13-7-6-11(19(22)23)8-14(13)24-16(18)21/h6-8,10,12H,2-5,9H2,1H3,(H,17,20)/t10-,12+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C4=CC=CC=C4)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C34H59N5O4Si3/c1-32(2,3)44(10,11)40-21-24-26(42-45(12,13)33(4,5)6)27(43-46(14,15)34(7,8)9)31(41-24)39-22-36-25-28(35)37-29(38-30(25)39)23-19-17-16-18-20-23/h16-20,22,24,26-27,31H,21H2,1-15H3,(H2,35,37,38)/t24-,26-,27-,31-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@H](C1)CN2CCC[C@H](C2)CC3=CC=C(C=C3)F)NC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C32H44FN3O4/c1-32(2,3)40-31(38)34-28-15-16-29(35-30(37)39-22-24-8-5-4-6-9-24)26(19-28)21-36-17-7-10-25(20-36)18-23-11-13-27(33)14-12-23/h4-6,8-9,11-14,25-26,28-29H,7,10,15-22H2,1-3H3,(H,34,38)(H,35,37)/t25-,26-,28+,29+/m0/s1
SMILES: CCN(CC)CCCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C1=O)C=C3
InChI: InChI=1S/C16H24N2O2/c1-3-17(4-2)8-5-9-18-15(19)13-11-6-7-12(10-11)14(13)16(18)20/h6-7,11-14H,3-5,8-10H2,1-2H3/t11-,12+,13-,14-/m0/s1
SMILES: C[C@@H](C(=O)N[C@]1(CC[C@@H]2[C@H]1[C@H]2C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)N
InChI: InChI=1S/C17H27N3O6/c1-7(2)6-10(14(22)23)19-16(26)17(20-13(21)8(3)18)5-4-9-11(12(9)17)15(24)25/h7-12H,4-6,18H2,1-3H3,(H,19,26)(H,20,21)(H,22,23)(H,24,25)/t8-,9-,10-,11-,12-,17-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F
InChI: InChI=1S/C19H27F2N3O3S/c1-14-5-2-3-8-17(14)22-18(25)13-23-9-11-24(12-10-23)28(26,27)19-15(20)6-4-7-16(19)21/h4,6-7,14,17H,2-3,5,8-13H2,1H3,(H,22,25)/p+1/t14-,17+/m1/s1