EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H](C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)[C@@H](C(=O)N6[C@@H](COC6=O)CC7=CC=CC=C7)N=[N+]=[N-]
InChI: InChI=1S/C49H52N4O8/c1-35(44(51-52-50)48(54)53-41(33-60-49(53)55)28-36-17-7-2-8-18-36)27-42-45(57-30-38-21-11-4-12-22-38)47(59-32-40-25-15-6-16-26-40)46(58-31-39-23-13-5-14-24-39)43(61-42)34-56-29-37-19-9-3-10-20-37/h2-26,35,41-47H,27-34H2,1H3/t35-,41+,42-,43+,44-,45-,46-,47+/m0/s1
SMILES: CC1=C(C(=O)[C@@]2([C@H](C1=O)C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C)[C@@H]2C5=C(C=CC(=C5)Cl)O)C)C
InChI: InChI=1S/C24H24ClN3O5/c1-11-12(2)21(31)24(3)16(20(11)30)10-17-14(19(24)15-9-13(25)5-6-18(15)29)7-8-27-22(32)26(4)23(33)28(17)27/h5-7,9,16-17,19,29H,8,10H2,1-4H3/t16-,17+,19+,24+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Cl)CO)N=[N+]=[N-]
InChI: InChI=1S/C9H11ClN6O3/c10-4-2-16(9(18)13-8(4)11)7-1-5(14-15-12)6(3-17)19-7/h2,5-7,17H,1,3H2,(H2,11,13,18)/t5-,6+,7+/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)OP(=O)(C(F)P(=O)(O)OP(=S)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O)N
InChI: InChI=1S/C21H29FN10O16P4S2/c22-21(49(37,38)47-51(41,53)43-1-7-11(33)13(35)19(45-7)31-5-29-9-15(23)25-3-27-17(9)31)50(39,40)48-52(42,54)44-2-8-12(34)14(36)20(46-8)32-6-30-10-16(24)26-4-28-18(10)32/h3-8,11-14,19-21,33-36H,1-2H2,(H,37,38)(H,39,40)(H,41,53)(H,42,54)(H2,23,25,27)(H2,24,26,28)/t7-,8-,11-,12-,13-,14-,19-,20-,21?,51?,52?/m1/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)OC(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C27H27ClN2O3/c1-3-17-16-30-13-11-19(17)14-25(30)26(33-27(31)18-4-6-20(28)7-5-18)22-10-12-29-24-9-8-21(32-2)15-23(22)24/h3-10,12,15,17,19,25-26H,1,11,13-14,16H2,2H3/t17-,19-,25+,26-/m0/s1
SMILES: CC(C)N1C(=O)[C@@H]2[C@@H](N(O[C@H]2C1=O)C3=CC=CC=C3)C4=C(C=C(C=C4)OC)OC
InChI: InChI=1S/C22H24N2O5/c1-13(2)23-21(25)18-19(16-11-10-15(27-3)12-17(16)28-4)24(29-20(18)22(23)26)14-8-6-5-7-9-14/h5-13,18-20H,1-4H3/t18-,19+,20-/m1/s1
SMILES: C1C[NH+]2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)CSC4=CC=CC=C4)C(=O)NCC5=CC=CO5
InChI: InChI=1S/C23H27N5O2S/c29-23(24-12-20-5-4-10-30-20)22-15-27-9-8-17(22)11-19(27)14-28-13-18(25-26-28)16-31-21-6-2-1-3-7-21/h1-7,10,13,17,19,22H,8-9,11-12,14-16H2,(H,24,29)/p+1/t17-,19-,22+/m1/s1
SMILES: CCC(CCC(C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C)C(C)C
InChI: InChI=1S/C29H50O4S/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(33-34(30,31)32)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27H,7-9,11-18H2,1-6H3,(H,30,31,32)/t20?,21?,23-,24?,25+,26?,27?,28-,29+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CN(CC4=CC=CC=C4)CN5C(=O)[C@H]6[C@@H]7CC[C@@H](C7)[C@@H]6C5=O
InChI: InChI=1S/C27H31N3O4/c31-24-20-16-6-7-17(10-16)21(20)25(32)29(24)13-28(12-15-4-2-1-3-5-15)14-30-26(33)22-18-8-9-19(11-18)23(22)27(30)34/h1-5,16-23H,6-14H2/t16-,17+,18-,19+,20-,21-,22-,23+/m0/s1
SMILES: CN1CC[C@@H]2[C@H](CC1)N(C3=C2C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)F)C
InChI: InChI=1S/C20H23FN2O2S/c1-22-11-9-17-18-13-16(7-8-19(18)23(2)20(17)10-12-22)26(24,25)15-5-3-14(21)4-6-15/h3-8,13,17,20H,9-12H2,1-2H3/t17-,20-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6
InChI: InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20-,21-/m0/s1
SMILES: COC1=C(C=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)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F)O
InChI: InChI=1S/C41H27Cl2F9N4O6/c1-62-30-9-2-17(10-29(30)57)32-24-7-8-25-31(36(60)55(34(25)58)23-12-19(39(44,45)46)11-20(13-23)40(47,48)49)26(24)15-27-35(59)56(37(61)38(27,32)18-3-5-22(42)6-4-18)54-33-28(43)14-21(16-53-33)41(50,51)52/h2-7,9-14,16,25-27,31-32,57H,8,15H2,1H3,(H,53,54)/t25-,26+,27-,31-,32-,38+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](C(=NN1)C(=O)C(F)(F)F)C2=CC=CC=C2
InChI: InChI=1S/C14H13F3N2O3/c1-2-22-13(21)11-9(8-6-4-3-5-7-8)10(18-19-11)12(20)14(15,16)17/h3-7,9,11,19H,2H2,1H3/t9-,11-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@H]([C@]1(C)CC=O)C2=C[C@H]3[C@@]4(O3)C[C@H](CC[C@@]4(C2=O)C)OC(=O)C
InChI: InChI=1S/C29H44O5/c1-18(2)8-7-9-19(3)23-10-11-24(27(23,5)14-15-30)22-16-25-29(34-25)17-21(33-20(4)31)12-13-28(29,6)26(22)32/h15-16,18-19,21,23-25H,7-14,17H2,1-6H3/t19-,21+,23-,24+,25+,27-,28-,29+/m1/s1
SMILES: CCCCN1[C@H]([C@H](CCC1=O)C(=O)OCC2=CC=CC=C2C#N)C3=CC=C(C=C3)OC
InChI: InChI=1S/C25H28N2O4/c1-3-4-15-27-23(28)14-13-22(24(27)18-9-11-21(30-2)12-10-18)25(29)31-17-20-8-6-5-7-19(20)16-26/h5-12,22,24H,3-4,13-15,17H2,1-2H3/t22-,24-/m0/s1
SMILES: C[C@]1(CC[C@@H]2[C@@H](O1)C3=CC=CC=C3OC2(C)C)C#CC[N+]4(CCOCC4)C
InChI: InChI=1S/C23H32NO3/c1-22(2)19-10-12-23(3,11-7-13-24(4)14-16-25-17-15-24)27-21(19)18-8-5-6-9-20(18)26-22/h5-6,8-9,19,21H,10,12-17H2,1-4H3/q+1/t19-,21+,23-/m1/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: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=COC5=C(C4)C=C(C=C5)O)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)CCCC(=O)O
InChI: InChI=1S/C33H23Cl2F5N2O8/c34-32-10-17-15(4-5-16-20(17)29(47)41(28(16)46)7-1-2-19(44)45)21(13-8-12-9-14(43)3-6-18(12)50-11-13)33(32,35)31(49)42(30(32)48)27-25(39)23(37)22(36)24(38)26(27)40/h3-4,6,9,11,16-17,20-21,43H,1-2,5,7-8,10H2,(H,44,45)/t16-,17+,20-,21-,32+,33-/m0/s1
SMILES: CC(=O)[C@H]1[C@@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC(=CC(=C4)OC)OC
InChI: InChI=1S/C24H21N3O3/c1-15(28)23-22(17-10-18(29-2)12-19(11-17)30-3)24(13-25,14-26)21-9-8-16-6-4-5-7-20(16)27(21)23/h4-12,21-23H,1-3H3/t21-,22+,23+/m1/s1
SMILES: CC(=O)[C@@]12[C@@H](C(=O)[C@@H](C13CC3)C(C=C2OC)(C)C)SC4=CC=CC=C4
InChI: InChI=1S/C21H24O3S/c1-13(22)21-15(24-4)12-19(2,3)17(20(21)10-11-20)16(23)18(21)25-14-8-6-5-7-9-14/h5-9,12,17-18H,10-11H2,1-4H3/t17-,18-,21-/m1/s1
SMILES: C[C@@H]1[C@@H](OC(=O)N1C(=O)[C@@H]([C@@H]2C(=O)C=C([C@@](O2)(CCCOCCOCCO)O)Br)OC)C3=CC=CC=C3
InChI: InChI=1S/C25H32BrNO10/c1-16-20(17-7-4-3-5-8-17)36-24(31)27(16)23(30)22(33-2)21-18(29)15-19(26)25(32,37-21)9-6-11-34-13-14-35-12-10-28/h3-5,7-8,15-16,20-22,28,32H,6,9-14H2,1-2H3/t16-,20-,21+,22-,25+/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)C)C
InChI: InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24-,25-,26-,27-,28+,29-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2C(=O)NCC4COCCOCCOCCOCCO4)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C31H45NO7/c1-31-10-9-26-25-6-4-23(34-2)19-22(25)3-5-27(26)28(31)7-8-29(31)30(33)32-20-24-21-38-16-15-36-12-11-35-13-14-37-17-18-39-24/h4,6,8,19,24,26-28H,3,5,7,9-18,20-21H2,1-2H3,(H,32,33)/t24?,26-,27-,28+,31+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2N([C@]3([C@@](O2)(N=[N+]([N-]3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C34H28N4O2/c1-39-31-24-22-26(23-25-31)32-37(29-18-10-4-11-19-29)33(27-14-6-2-7-15-27)34(40-32,28-16-8-3-9-17-28)36-38(35-33)30-20-12-5-13-21-30/h2-25,32H,1H3/t32-,33-,34+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]\4([C@H]([C@@H]3CC=C2C1)CC/C4=N\OCC(=O)NCCCNC(=O)OC(C)(C)C)C)C
InChI: InChI=1S/C31H49N3O6/c1-20(35)39-22-12-14-30(5)21(18-22)8-9-23-24-10-11-26(31(24,6)15-13-25(23)30)34-38-19-27(36)32-16-7-17-33-28(37)40-29(2,3)4/h8,22-25H,7,9-19H2,1-6H3,(H,32,36)(H,33,37)/b34-26+/t22-,23-,24-,25-,30-,31-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OCC[C@@]12[C@@H](NC3=CC=CC=C31)N(C4=C([C@@]25CCNC5=O)C=CC(=C4)Br)C(=O)OC(C)(C)C
InChI: InChI=1S/C34H48BrN3O4Si/c1-21(2)43(22(3)4,23(5)6)41-19-17-33-25-12-10-11-13-27(25)37-29(33)38(31(40)42-32(7,8)9)28-20-24(35)14-15-26(28)34(33)16-18-36-30(34)39/h10-15,20-23,29,37H,16-19H2,1-9H3,(H,36,39)/t29-,33-,34+/m0/s1
SMILES: C1[C@@H]2C=C(C=C[C@@H]2C3=CC=CC=C31)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C20H16O/c21-20(14-6-2-1-3-7-14)16-10-11-19-17(13-16)12-15-8-4-5-9-18(15)19/h1-11,13,17,19H,12H2/t17-,19+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3CCCC[C@]3(OC4=CC5=C(C=C24)OCO5)O
InChI: InChI=1S/C23H26O7/c1-25-19-8-13(9-20(26-2)22(19)27-3)21-14-10-17-18(29-12-28-17)11-16(14)30-23(24)7-5-4-6-15(21)23/h8-11,15,21,24H,4-7,12H2,1-3H3/t15-,21-,23-/m1/s1
SMILES: COC1=CC=CC=C1[C@@H]2[C@@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)C(=O)O
InChI: InChI=1S/C20H19NO3/c1-24-18-8-3-2-5-15(18)19-14-7-4-6-13(14)16-11-12(20(22)23)9-10-17(16)21-19/h2-6,8-11,13-14,19,21H,7H2,1H3,(H,22,23)/t13-,14-,19+/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6)OC)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl
InChI: InChI=1S/C41H33ClN2O7/c1-22(45)23-11-13-26(14-12-23)43-37(47)31-18-17-29-32(35(31)39(43)49)21-33-38(48)44(27-10-6-9-25(42)19-27)40(50)41(33,24-7-4-3-5-8-24)36(29)30-16-15-28(51-2)20-34(30)46/h3-17,19-20,31-33,35-36,46H,18,21H2,1-2H3/t31-,32+,33-,35-,36+,41+/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C[N+](=C3N)CC4=CC(=CC=C4)OC)O)O
InChI: InChI=1S/C20H24N6O5/c1-3-22-19(29)16-14(27)15(28)20(31-16)26-10-23-13-17(21)25(9-24-18(13)26)8-11-5-4-6-12(7-11)30-2/h4-7,9-10,14-16,20-21,27-28H,3,8H2,1-2H3,(H,22,29)/p+1/t14-,15+,16-,20+/m0/s1
SMILES: CC1=CC2=C(C=C1)N3[C@H](C=C2C)[C@@]4([C@H]([C@H]3C(=O)C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)Cl)C7=CC=CC=C7NC4=O
InChI: InChI=1S/C35H27ClN2O3/c1-20-12-17-28-25(18-20)21(2)19-29-35(26-10-6-7-11-27(26)37-34(35)41)30(32(39)23-13-15-24(36)16-14-23)31(38(28)29)33(40)22-8-4-3-5-9-22/h3-19,29-31H,1-2H3,(H,37,41)/t29-,30-,31+,35-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4
InChI: InChI=1S/C20H27N3O4S/c24-19-17-8-4-5-9-18(17)20(25)23(19)15-21-10-12-22(13-11-21)28(26,27)14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2/p+1/t17-,18-/m1/s1
SMILES: CC(=O)N(C)[C@H]1C[C@H]2N3C4=CC=CC=C4C5=C6C(=C7C8=C(C(=CC=C8)OC(=O)C)N(C7=C53)[C@@]([C@H]1OC)(O2)C)CNC6=O
InChI: InChI=1S/C32H30N4O6/c1-15(37)34(4)21-13-23-35-20-11-7-6-9-17(20)25-26-19(14-33-31(26)39)24-18-10-8-12-22(41-16(2)38)27(18)36(29(24)28(25)35)32(3,42-23)30(21)40-5/h6-12,21,23,30H,13-14H2,1-5H3,(H,33,39)/t21-,23-,30-,32+/m0/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3
InChI: InChI=1S/C18H21NO5S/c1-4-24-18(23)12-8(2)9(3)25-16(12)19-15(20)13-10-5-6-11(7-10)14(13)17(21)22/h5-6,10-11,13-14H,4,7H2,1-3H3,(H,19,20)(H,21,22)/p-1/t10-,11+,13-,14+/m1/s1
SMILES: COC(=O)CCCCNC(=O)[C@H]1CC[C@H]1NC(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C19H26N2O5/c1-25-17(22)9-5-6-12-20-18(23)15-10-11-16(15)21-19(24)26-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,20,23)(H,21,24)/t15-,16+/m0/s1
SMILES: C1=C2C(=NC(=N1)N)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F
InChI: InChI=1S/C10H12FN5O3/c11-6-7(18)5(2-17)19-9(6)16-3-14-4-1-13-10(12)15-8(4)16/h1,3,5-7,9,17-18H,2H2,(H2,12,13,15)/t5-,6-,7-,9-/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)C4=CC=CC(=C4)CNC(=O)C5=NC6=CC=CC=C6N=C5)CN7CCC8=CC(=C(C=C8C7)OC)OC
InChI: InChI=1S/C46H46N4O6/c1-29-43(27-50-20-19-36-22-41(53-2)42(54-3)23-37(36)26-50)55-46(56-44(29)33-13-11-30(28-51)12-14-33)34-17-15-32(16-18-34)35-8-6-7-31(21-35)24-48-45(52)40-25-47-38-9-4-5-10-39(38)49-40/h4-18,21-23,25,29,43-44,46,51H,19-20,24,26-28H2,1-3H3,(H,48,52)/t29-,43+,44+,46+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](C(OC2=CC(=C3C(=C12)N(C4=CC5=CC=CC=C5C=C4C3=O)C)OC)(C)C)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C33H29NO7/c1-18(35)39-30-27-25(41-33(2,3)31(30)40-32(37)19-11-7-6-8-12-19)17-24(38-5)26-28(27)34(4)23-16-21-14-10-9-13-20(21)15-22(23)29(26)36/h6-17,30-31H,1-5H3/t30-,31-/m1/s1
SMILES: CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](N[C@H]2C3=CC=C(C=C3)O)(CO)C(=O)OC
InChI: InChI=1S/C17H20N2O6/c1-3-19-14(22)11-12(15(19)23)17(8-20,16(24)25-2)18-13(11)9-4-6-10(21)7-5-9/h4-7,11-13,18,20-21H,3,8H2,1-2H3/t11-,12+,13+,17-/m1/s1
SMILES: C1[C@]([C@@H](C(O1)COP(=O)([O-])OP(=O)(O)OC[C@@H]2[C@@H]([C@@H](C(O2)N3C=NC4=C(N=CN=C43)N)O)O)O)([N+]5=CC=CC(=C5)C(=O)N)O
InChI: InChI=1S/C21H27N7O14P2/c22-17-13-19(25-8-24-17)28(9-26-13)20-15(30)14(29)11(41-20)5-39-43(34,35)42-44(36,37)40-6-12-16(31)21(33,7-38-12)27-3-1-2-10(4-27)18(23)32/h1-4,8-9,11-12,14-16,20,29-31,33H,5-7H2,(H5-,22,23,24,25,32,34,35,36,37)/t11-,12?,14+,15+,16-,20?,21+/m1/s1
SMILES: CC1([C@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4=CC=C(NC4=O)C5=CC=C(C=C5)NC(=O)C6CCC(=O)N6)C(=O)O)C
InChI: InChI=1S/C33H32N6O9S/c1-33(2)25(32(47)48)39-30(46)24(31(39)49-33)38-29(45)23(16-5-9-18(40)10-6-16)37-27(43)19-11-12-20(36-26(19)42)15-3-7-17(8-4-15)34-28(44)21-13-14-22(41)35-21/h3-12,21,23-25,31,40H,13-14H2,1-2H3,(H,34,44)(H,35,41)(H,36,42)(H,37,43)(H,38,45)(H,47,48)/t21?,23?,24-,25-,31-/m1/s1
SMILES: C[C@@H](CC[C@@H]([C@H](C)C[C@@H]1CC[C@H]([C@@H](C1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)C=C
InChI: InChI=1S/C28H58O3Si2/c1-14-21(2)15-17-24(29)22(3)19-23-16-18-25(30-32(10,11)27(4,5)6)26(20-23)31-33(12,13)28(7,8)9/h14,21-26,29H,1,15-20H2,2-13H3/t21-,22-,23+,24+,25-,26-/m1/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
InChI: InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20?,21?,22-,23+,26+,27-,28-,29-,30+/m1/s1
SMILES: CCN1[C@H]([C@H](CC1=O)C(=O)O)C2=CC(=C(C(=C2)OC)OC)OC
InChI: InChI=1S/C16H21NO6/c1-5-17-13(18)8-10(16(19)20)14(17)9-6-11(21-2)15(23-4)12(7-9)22-3/h6-7,10,14H,5,8H2,1-4H3,(H,19,20)/t10-,14-/m0/s1
SMILES: C[C@@H]1[C@H]2[C@H](N(C(=O)N[C@H]2N(C(=O)N1)C)C)C3=CC(=CC=C3)O
InChI: InChI=1S/C15H20N4O3/c1-8-11-12(9-5-4-6-10(20)7-9)18(2)15(22)17-13(11)19(3)14(21)16-8/h4-8,11-13,20H,1-3H3,(H,16,21)(H,17,22)/t8-,11+,12-,13+/m1/s1
SMILES: CCOC(=O)[C@]1(C[C@@H]2[C@H]([C@H](O1)[C@H]3COC(O3)(C)C)OC(O2)(C)C)O
InChI: InChI=1S/C16H26O8/c1-6-19-13(17)16(18)7-9-11(23-15(4,5)21-9)12(24-16)10-8-20-14(2,3)22-10/h9-12,18H,6-8H2,1-5H3/t9-,10-,11-,12-,16-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@@H](CC2=CC=C(C=C2)CN3CCOCC3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
InChI: InChI=1S/C38H49N3O6/c1-38(2,3)47-37(45)39-32(22-26-9-5-4-6-10-26)33(42)24-30(36(44)40-35-31-12-8-7-11-29(31)23-34(35)43)21-27-13-15-28(16-14-27)25-41-17-19-46-20-18-41/h4-16,30,32-35,42-43H,17-25H2,1-3H3,(H,39,45)(H,40,44)/t30-,32+,33+,34-,35+/m1/s1
SMILES: CN1[C@@H]2[C@@H]([C@@H](N1)C3=CC=CC=C3)C(=O)N(C2=O)CC4=CC=CC=C4
InChI: InChI=1S/C19H19N3O2/c1-21-17-15(16(20-21)14-10-6-3-7-11-14)18(23)22(19(17)24)12-13-8-4-2-5-9-13/h2-11,15-17,20H,12H2,1H3/t15-,16+,17-/m1/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC=C(C=C5)C=CCO[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)C(=O)N7CCC[C@@H]7C(=O)NCCO)CCCCC
InChI: InChI=1S/C43H63N3O14/c1-3-5-7-17-42(18-8-6-4-2)58-34-29-23-43(41(54)45-20-9-12-28(45)38(52)44-19-21-47)36(39(53)56-29)46(60-37(43)35(34)59-42)24-27-15-13-26(14-16-27)11-10-22-55-40-33(51)32(50)31(49)30(25-48)57-40/h10-11,13-16,28-37,40,47-51H,3-9,12,17-25H2,1-2H3,(H,44,52)/t28-,29-,30-,31+,32+,33-,34+,35+,36+,37-,40+,43+/m1/s1
SMILES: CCCOC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)[C@H](C)C4=CC=C(C=C4)OC)O2
InChI: InChI=1S/C21H25NO5/c1-4-11-26-20(24)17-16-9-10-21(27-16)12-22(19(23)18(17)21)13(2)14-5-7-15(25-3)8-6-14/h5-10,13,16-18H,4,11-12H2,1-3H3/t13-,16-,17+,18+,21-/m1/s1
SMILES: COC1=CC=C(C=C1)CCCCNC(=O)C2=COC(=N2)[C@@H]3[C@H]4CC[C@@H]([C@@H]3CC5=CC=CC=C5CCC(=O)O)O4
InChI: InChI=1S/C31H36N2O6/c1-37-23-12-9-20(10-13-23)6-4-5-17-32-30(36)25-19-38-31(33-25)29-24(26-14-15-27(29)39-26)18-22-8-3-2-7-21(22)11-16-28(34)35/h2-3,7-10,12-13,19,24,26-27,29H,4-6,11,14-18H2,1H3,(H,32,36)(H,34,35)/t24-,26-,27+,29-/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(C[N+](=O)[O-])P(=O)(OC)OC)OC)C
InChI: InChI=1S/C12H22NO9P/c1-12(2)21-10-9(17-3)8(20-11(10)22-12)7(6-13(14)15)23(16,18-4)19-5/h7-11H,6H2,1-5H3/t7?,8-,9+,10-,11-/m1/s1
SMILES: CC(C)[C@H](C(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C4=CC(=C(C=C4N=C3Br)Cl)Cl)OC(O2)(C)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C25H32BrCl2N3O7/c1-11(2)17(30-23(33)38-24(3,4)5)21(32)34-10-16-18-19(37-25(6,7)36-18)20(35-16)31-15-9-13(28)12(27)8-14(15)29-22(31)26/h8-9,11,16-20H,10H2,1-7H3,(H,30,33)/t16-,17-,18-,19-,20-/m1/s1
SMILES: C[C@H]1CC2=C([C@H](CC(=O)N2)C3=CC(=C(C=C3)Cl)Cl)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C18H17Cl2NO4/c1-8-5-13-16(17(23)15(8)18(24)25-2)10(7-14(22)21-13)9-3-4-11(19)12(20)6-9/h3-4,6,8,10,15H,5,7H2,1-2H3,(H,21,22)/t8-,10+,15+/m0/s1
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)C6=CN=CC=C6)C=O)O
InChI: InChI=1S/C29H35NO7/c1-26-8-5-22-23(29(26,35)11-7-21(26)19-13-24(32)36-16-19)6-10-28(34)14-20(4-9-27(22,28)17-31)37-25(33)18-3-2-12-30-15-18/h2-3,12-13,15,17,20-23,34-35H,4-11,14,16H2,1H3/t20-,21+,22?,23?,26+,27-,28-,29-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC(=C(C(=C5)[N+](=O)[O-])N(C)C)[N+](=O)[O-])C6=CC(=C(C(=C6)I)O)OC
InChI: InChI=1S/C32H27IN4O10/c1-13-7-23(38)19-12-18-16(25(27(19)29(13)39)14-8-20(33)30(40)24(9-14)47-4)5-6-17-26(18)32(42)35(31(17)41)15-10-21(36(43)44)28(34(2)3)22(11-15)37(45)46/h5,7-11,17-18,25-26,40H,6,12H2,1-4H3/t17-,18+,25-,26-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC(=CC=C5)C=CC(=O)N(C)C)OC6(O4)CC7=CC=CC=C7C6
InChI: InChI=1S/C39H47N3O10/c1-37(2,3)49-30(45)16-14-27(22-43)40-36(47)39-20-28-31-32(51-38(50-31)18-25-11-6-7-12-26(25)19-38)34(39)52-42(33(39)35(46)48-28)21-24-10-8-9-23(17-24)13-15-29(44)41(4)5/h6-13,15,17,27-28,31-34,43H,14,16,18-22H2,1-5H3,(H,40,47)/t27-,28+,31-,32-,33-,34+,39-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N(C)C
InChI: InChI=1S/C19H27N3O4S2/c1-12-7-5-6-8-15(12)20-18(23)13(2)27-19-21-16-11-14(9-10-17(16)26-19)28(24,25)22(3)4/h9-13,15H,5-8H2,1-4H3,(H,20,23)/t12-,13+,15-/m0/s1
SMILES: C1CN2[C@@H]([C@H]1NC(=O)C3=CC=CC=C3)C(=O)N[C@H](C2=O)CC4=CC=CS4
InChI: InChI=1S/C19H19N3O3S/c23-17(12-5-2-1-3-6-12)20-14-8-9-22-16(14)18(24)21-15(19(22)25)11-13-7-4-10-26-13/h1-7,10,14-16H,8-9,11H2,(H,20,23)(H,21,24)/t14-,15-,16-/m0/s1
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@@H]4C5)C)OC)C
InChI: InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-25(29-6)28-17-20(28)12-15-27(28,5)24(21)13-14-26(22,23)4/h8,19-25H,7,9-17H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1
SMILES: C[C@H]1CCC/C=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@H]([C@@H]1O)C)(C)C)O[Si](C)(C)C(C)(C)C)/C(=C/C2=CSC(=N2)C)/C
InChI: InChI=1S/C32H53NO5SSi/c1-21-16-14-12-13-15-17-26(22(2)18-25-20-39-24(4)33-25)37-28(34)19-27(38-40(10,11)31(5,6)7)32(8,9)30(36)23(3)29(21)35/h13,15,18,20-21,23,26-27,29,35H,12,14,16-17,19H2,1-11H3/b15-13-,22-18+/t21-,23-,26-,27-,29+/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)NS(=O)(=O)C4=CC=CC=C4)CN5C=NC6=CC=CC=C65
InChI: InChI=1S/C32H31N3O5S/c1-22-30(19-35-21-33-28-9-5-6-10-29(28)35)39-32(40-31(22)24-13-11-23(20-36)12-14-24)25-15-17-26(18-16-25)34-41(37,38)27-7-3-2-4-8-27/h2-18,21-22,30-32,34,36H,19-20H2,1H3/t22-,30+,31+,32+/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CN(N=N2)C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)N5CCC(CC5)C(=O)OC
InChI: InChI=1S/C28H39N5O3/c1-28(2,3)22-7-5-19(6-8-22)25-18-33(30-29-25)16-23-15-21-11-14-32(23)17-24(21)26(34)31-12-9-20(10-13-31)27(35)36-4/h5-8,18,20-21,23-24H,9-17H2,1-4H3/t21-,23-,24+/m1/s1
SMILES: C[C@@]12CC[C@@]3(C(=C1C[C@@]([C@@H](C2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)(C)CO)CC[C@H]5[C@]3(CC[C@@H]6[C@@]5(CC[C@@H]([C@]6(C)C(=O)O)O)C)C)C
InChI: InChI=1S/C36H58O10/c1-31-13-14-34(4)19(7-8-22-33(3)11-10-24(39)36(6,30(43)44)23(33)9-12-35(22,34)5)20(31)15-32(2,18-38)25(16-31)46-29-28(42)27(41)26(40)21(17-37)45-29/h21-29,37-42H,7-18H2,1-6H3,(H,43,44)/t21-,22-,23-,24+,25-,26-,27+,28-,29+,31+,32+,33-,34-,35-,36-/m1/s1
SMILES: C[C@@H]1[C@H](C2=CC3=C(C=C2O[C@H]1NC4=CC=C(C=C4)C(=O)O)OCO3)C5=CC(=C(C(=C5)OC)OC)OC
InChI: InChI=1S/C27H27NO8/c1-14-24(16-9-22(31-2)25(33-4)23(10-16)32-3)18-11-20-21(35-13-34-20)12-19(18)36-26(14)28-17-7-5-15(6-8-17)27(29)30/h5-12,14,24,26,28H,13H2,1-4H3,(H,29,30)/t14-,24+,26-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSC2=NNC(=N2)C3=CC=CS3
InChI: InChI=1S/C16H21N5O2S2/c1-10-5-2-3-6-11(10)17-15(23)18-13(22)9-25-16-19-14(20-21-16)12-7-4-8-24-12/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,19,20,21)(H2,17,18,22,23)/t10-,11-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5CCN(CC5)CC6=CC=CC=C6)C7=C(C(=CC=C7)OC)O
InChI: InChI=1S/C36H36N2O6/c1-20-17-28(39)27-18-26-23(30(32(27)33(20)40)24-9-6-10-29(44-2)34(24)41)11-12-25-31(26)36(43)38(35(25)42)22-13-15-37(16-14-22)19-21-7-4-3-5-8-21/h3-11,17,22,25-26,30-31,41H,12-16,18-19H2,1-2H3/t25-,26+,30+,31-/m0/s1
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@H]4N(C3=O)[C@@H](C(S4)(C)C)C(=O)[O-]
InChI: InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/p-1/t13-,14-,17+/m1/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C#CC(C)O)N)O)O
InChI: InChI=1S/C16H20N6O5/c1-3-18-15(26)12-10(24)11(25)16(27-12)22-6-19-9-13(17)20-8(21-14(9)22)5-4-7(2)23/h6-7,10-12,16,23-25H,3H2,1-2H3,(H,18,26)(H2,17,20,21)/t7?,10-,11+,12-,16+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@H]2C[C@@H]3CCN2C[C@@H]3C=C)C4=CC=NC5=CC=CC=C45
InChI: InChI=1S/C26H29N3O2S/c1-3-19-17-29-15-13-20(19)16-25(29)26(23-12-14-27-24-7-5-4-6-22(23)24)28-32(30,31)21-10-8-18(2)9-11-21/h3-12,14,19-20,25-26,28H,1,13,15-17H2,2H3/t19-,20-,25+,26+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)N3[C@@H]4CCN(C[C@@H]4C5=C3C=CC(=C5)C)C)Cl
InChI: InChI=1S/C23H24ClN3O2S2/c1-14-4-7-16(8-5-14)31(28,29)22-21(24)30-23(25-22)27-19-9-6-15(2)12-17(19)18-13-26(3)11-10-20(18)27/h4-9,12,18,20H,10-11,13H2,1-3H3/t18-,20-/m1/s1
SMILES: C1[C@H]([C@H]1C(=O)N/N=C\C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI: InChI=1S/C17H15FN2O/c18-14-8-6-12(7-9-14)11-19-20-17(21)16-10-15(16)13-4-2-1-3-5-13/h1-9,11,15-16H,10H2,(H,20,21)/b19-11-/t15-,16-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H](C(=C3F)CO)O)O)N
InChI: InChI=1S/C11H12FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7-9,18-20H,1H2,(H2,13,14,15)/t7-,8-,9+/m1/s1
SMILES: C1[C@@H]2C[C@H]3[C@H]1[C@H]([C@@H]2C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC(=CC=C5)Cl)C(=O)O3
InChI: InChI=1S/C22H19ClN2O4/c23-13-2-1-3-15(10-13)25-20(26)11-4-6-14(7-5-11)24-21(27)18-12-8-16-17(9-12)29-22(28)19(16)18/h1-7,10,12,16-19H,8-9H2,(H,24,27)(H,25,26)/t12-,16+,17+,18-,19-/m1/s1
SMILES: C1C=CC[C@@H]([C@H]1C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C21H20N2O4/c24-19(15-10-4-5-11-16(15)21(26)27)23-18-13-7-6-12-17(18)20(25)22-14-8-2-1-3-9-14/h1-9,12-13,15-16H,10-11H2,(H,22,25)(H,23,24)(H,26,27)/t15-,16-/m0/s1
SMILES: CCC1=C(SC(=C1C(=O)N)NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C
InChI: InChI=1S/C16H22N2O4S/c1-3-9-8(2)23-15(12(9)13(17)19)18-14(20)10-6-4-5-7-11(10)16(21)22/h10-11H,3-7H2,1-2H3,(H2,17,19)(H,18,20)(H,21,22)/p-1/t10-,11-/m1/s1
SMILES: CC[NH+]1CC=C2[C@@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C24H27N5/c1-5-29-11-10-18-19(12-25)22(28)24(14-26,15-27)21(20(18)13-29)16-6-8-17(9-7-16)23(2,3)4/h6-10,19-21,28H,5,11,13H2,1-4H3/p+1/t19?,20-,21+/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)C4=CC=CC(=C4)CNC(=O)[C@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CN(CC7=CC=CC=C7)CC8=CC=CC=C8
InChI: InChI=1S/C56H57N3O6S/c1-40-21-31-51(32-22-40)66(62,63)58-52(34-42-13-6-3-7-14-42)55(61)57-35-46-19-12-20-50(33-46)47-27-29-49(30-28-47)56-64-53(41(2)54(65-56)48-25-23-45(39-60)24-26-48)38-59(36-43-15-8-4-9-16-43)37-44-17-10-5-11-18-44/h3-33,41,52-54,56,58,60H,34-39H2,1-2H3,(H,57,61)/t41-,52+,53+,54+,56+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O
InChI: InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19+,20+,21-,23-/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC4([C@@H]5[C@@]3(C[C@@H]6[C@H](C5)OC(O6)(C)C)C)OCCO4)C)[C@H]([C@@H]([C@@H](COC(=O)C)C(C)C)OCOC)OC(=O)C
InChI: InChI=1S/C39H64O10/c1-22(2)27(20-43-24(4)40)35(44-21-42-10)34(47-25(5)41)23(3)28-11-12-29-26-18-39(45-15-16-46-39)33-17-31-32(49-36(6,7)48-31)19-38(33,9)30(26)13-14-37(28,29)8/h22-23,26-35H,11-21H2,1-10H3/t23-,26-,27-,28+,29-,30-,31-,32+,33-,34+,35+,37+,38+/m0/s1