EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)[C@H](C(=O)N)O[C@@H]3[C@H]([C@H](C=C(O3)C(=O)N[C@H]4CCCCNC4=O)O)O)OC
InChI: InChI=1S/C33H49N5O13/c1-3-4-5-6-7-8-9-13-22(41)49-27-24(47-2)25(50-31(27)38-16-14-21(40)37-33(38)46)26(28(34)43)51-32-23(42)19(39)17-20(48-32)30(45)36-18-12-10-11-15-35-29(18)44/h14,16-19,23-27,31-32,39,42H,3-13,15H2,1-2H3,(H2,34,43)(H,35,44)(H,36,45)(H,37,40,46)/t18-,19-,23-,24+,25-,26+,27+,31+,32+/m0/s1
SMILES: CC1=CC(=CC(=C1)N2C(=S)N(N=N2)[C@H]3CC(=O)[C@@H]4OC[C@H]3O4)C
InChI: InChI=1S/C15H16N4O3S/c1-8-3-9(2)5-10(4-8)18-15(23)19(17-16-18)11-6-12(20)14-21-7-13(11)22-14/h3-5,11,13-14H,6-7H2,1-2H3/t11-,13+,14+/m0/s1
SMILES: C1C2C=CC1[C@@H]([C@@H]2C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O
InChI: InChI=1S/C16H13ClF3NO3/c17-10-4-3-9(16(18,19)20)6-11(10)21-14(22)12-7-1-2-8(5-7)13(12)15(23)24/h1-4,6-8,12-13H,5H2,(H,21,22)(H,23,24)/t7?,8?,12-,13+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)N4C(=O)[C@@H]5CCCC[C@H]5C4=O)Cl
InChI: InChI=1S/C22H23ClN2O4/c23-17-11-12(24-19(26)13-5-1-2-6-14(13)20(24)27)9-10-18(17)25-21(28)15-7-3-4-8-16(15)22(25)29/h9-11,13-16H,1-8H2/t13-,14+,15-,16-/m1/s1
SMILES: CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C20H21N3O3S/c1-2-12-7-8-15-16(11-12)27-20(21-15)22-17(24)9-10-23-18(25)13-5-3-4-6-14(13)19(23)26/h3-4,7-8,11,13-14H,2,5-6,9-10H2,1H3,(H,21,22,24)/t13-,14+
SMILES: C1=CC=C(C=C1)CN([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C48H39NO10/c50-43(34-21-9-2-10-22-34)49(31-33-19-7-1-8-20-33)44-42(59-48(54)38-29-17-6-18-30-38)41(58-47(53)37-27-15-5-16-28-37)40(57-46(52)36-25-13-4-14-26-36)39(56-44)32-55-45(51)35-23-11-3-12-24-35/h1-30,39-42,44H,31-32H2/t39-,40-,41+,42-,44-/m1/s1
SMILES: C[C@]12C[C@H]([C@@]3(CCCN3C1=O)C(=O)N2C)C4=CC=CC=C4
InChI: InChI=1S/C17H20N2O2/c1-16-11-13(12-7-4-3-5-8-12)17(15(21)18(16)2)9-6-10-19(17)14(16)20/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-,16-,17-/m0/s1
SMILES: CC1C(C(OC1=O)C)CC(C(C)([C@H]2CCC3([C@@]2(CCC4C3=CC(=O)[C@]5([C@@]4(C[C@@H]([C@@H](C5)O)O)C)O)C)O)O)O
InChI: InChI=1S/C29H44O9/c1-14-16(15(2)38-24(14)34)10-22(32)27(5,35)21-7-9-28(36)18-11-23(33)29(37)13-20(31)19(30)12-26(29,4)17(18)6-8-25(21,28)3/h11,14-17,19-22,30-32,35-37H,6-10,12-13H2,1-5H3/t14?,15?,16?,17?,19-,20+,21-,22?,25+,26+,27?,28?,29+/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@]24CCC(C(=O)O4)(C)C)CCC5=CC(=C(C=C35)Cl)O
InChI: InChI=1S/C24H31ClO3/c1-22(2)10-11-24(28-21(22)27)9-7-18-16-5-4-14-12-20(26)19(25)13-17(14)15(16)6-8-23(18,24)3/h12-13,15-16,18,26H,4-11H2,1-3H3/t15?,16?,18?,23-,24+/m0/s1
SMILES: C[C@H]1CNCC[C@@H]1CCC2=C3C=C(C=CC3=NC=C2)OC.C(=C/C(=O)O)\C(=O)O
InChI: InChI=1S/C18H24N2O.C4H4O4/c1-13-12-19-9-7-14(13)3-4-15-8-10-20-18-6-5-16(21-2)11-17(15)18;5-3(6)1-2-4(7)8/h5-6,8,10-11,13-14,19H,3-4,7,9,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-,14-;/m0./s1
SMILES: C1[C@@H]2[C@H]3[C@@H](C[C@]1(C(=O)O2)OCC4=CC=C(C=C4)C5=CC=C(C=C5)Br)OC(=O)O3
InChI: InChI=1S/C21H17BrO6/c22-15-7-5-14(6-8-15)13-3-1-12(2-4-13)11-25-21-9-16(26-19(21)23)18-17(10-21)27-20(24)28-18/h1-8,16-18H,9-11H2/t16-,17-,18+,21-/m1/s1
SMILES: C1=CC=C(C=C1)CN2[C@@H]3[C@H](C(=O)N(C3=O)C4=CC(=C(C=C4)F)F)N=N2
InChI: InChI=1S/C17H12F2N4O2/c18-12-7-6-11(8-13(12)19)23-16(24)14-15(17(23)25)22(21-20-14)9-10-4-2-1-3-5-10/h1-8,14-15H,9H2/t14-,15-/m1/s1
SMILES: CCCCCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC(=CC=C2)Br
InChI: InChI=1S/C18H23BrN2O3/c1-3-4-5-6-10-24-17(22)15-12(2)20-18(23)21-16(15)13-8-7-9-14(19)11-13/h7-9,11,15-16H,2-6,10H2,1H3,(H2,20,21,23)/t15-,16+/m0/s1
SMILES: CC[C@H](C)C1=C([N@+]2([C@@](C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=O)C(=C(C4=O)O)C5=CC=C(C=C5)O)O)[C@@H](C)CC)[O-])O
InChI: InChI=1S/C30H30N2O11/c1-5-14(3)23-28(38)32(41)30(15(4)6-2,29(39)31(23)40)42-20-13-17(9-12-19(20)43-32)22-26(36)24(34)21(25(35)27(22)37)16-7-10-18(33)11-8-16/h7-15,33-34,37-38,40H,5-6H2,1-4H3/t14-,15-,30+,32-/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)[C@@]3([C@]2(NC4=C3C(=O)NC(=O)N4)O)O
InChI: InChI=1S/C13H9N3O5/c17-8-5-3-1-2-4-6(5)13(21)12(8,20)7-9(16-13)14-11(19)15-10(7)18/h1-4,20-21H,(H3,14,15,16,18,19)/t12-,13+/m0/s1
SMILES: C[C@@H]1CC[C@]2([C@H]([C@@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@@H]5[C@@H]4CCC6=CC(=O)CC[C@]56C)C)C)OC1
InChI: InChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20+,21-,22+,23+,24-,25+,26+,27+/m1/s1
SMILES: C[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCCCCCCC(=O)OCCC[N@+]4(CCC5=CC(=C(C=C5[C@@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C
InChI: InChI=1S/C59H84N2O14/c1-60(26-22-42-36-48(64-3)50(66-5)38-44(42)46(60)30-40-32-52(68-7)58(72-11)53(33-40)69-8)24-18-28-74-56(62)20-16-14-13-15-17-21-57(63)75-29-19-25-61(2)27-23-43-37-49(65-4)51(67-6)39-45(43)47(61)31-41-34-54(70-9)59(73-12)55(35-41)71-10/h32-39,46-47H,13-31H2,1-12H3/q+2/t46-,47+,60-,61+
SMILES: CCOC(=O)C1[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C15H12F3NO4/c1-2-23-14(22)11-9-10(11)13(21)19(12(9)20)8-5-3-4-7(6-8)15(16,17)18/h3-6,9-11H,2H2,1H3/t9-,10-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3C2C(=O)C[C@]4([C@H]3CCC4=O)C
InChI: InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17?,18-,19-/m0/s1
SMILES: COC1=CC=C(C=C1)COC[C@@]2(CO[C@H]([C@@H]2OCC3=CC=C(C=C3)OC)C=O)O
InChI: InChI=1S/C22H26O7/c1-25-18-7-3-16(4-8-18)12-27-14-22(24)15-29-20(11-23)21(22)28-13-17-5-9-19(26-2)10-6-17/h3-11,20-21,24H,12-15H2,1-2H3/t20-,21-,22-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H]([NH2+][C@@H]([C@H](C2=O)C3=CC=CC=C3)C4=CC=CS4)C5=CC=CS5
InChI: InChI=1S/C25H21NOS2/c27-25-21(17-9-3-1-4-10-17)23(19-13-7-15-28-19)26-24(20-14-8-16-29-20)22(25)18-11-5-2-6-12-18/h1-16,21-24,26H/p+1/t21-,22-,23-,24-/m1/s1
SMILES: CC1=C[C@@H]2C[C@@H]([C@]1(C[C@@H]2C(=C)C)O)C(=O)OC
InChI: InChI=1S/C14H20O3/c1-8(2)11-7-14(16)9(3)5-10(11)6-12(14)13(15)17-4/h5,10-12,16H,1,6-7H2,2-4H3/t10-,11-,12-,14-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O
InChI: InChI=1S/C30H29N5O4/c1-37-26-25(36)23(39-29(26)35-19-34-24-27(31)32-18-33-28(24)35)17-38-30(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,18-19,23,25-26,29,36H,17H2,1H3,(H2,31,32,33)/t23-,25-,26-,29-/m1/s1
SMILES: CCC/C=C/C1=C([C@H]([C@H]2[C@@H]([C@H]1OC(=O)C)O2)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H48O5Si2/c1-13-14-15-16-19-20(17-28-32(9,10)25(3,4)5)22(31-33(11,12)26(6,7)8)24-23(30-24)21(19)29-18(2)27/h15-16,21-24H,13-14,17H2,1-12H3/b16-15+/t21-,22+,23+,24-/m0/s1
SMILES: C[C@H]1CC(=O)[C@H]2[C@@H](NC3=CC=CC=C3NC2=C1)C4=CC=C(C=C4)F
InChI: InChI=1S/C20H19FN2O/c1-12-10-17-19(18(24)11-12)20(13-6-8-14(21)9-7-13)23-16-5-3-2-4-15(16)22-17/h2-10,12,19-20,22-23H,11H2,1H3/t12-,19+,20+/m1/s1
SMILES: C1=CC(=C(C=C1O)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
InChI: InChI=1S/C21H18O12/c22-7-1-2-10(23)9(3-7)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@H]2C(=O)O)N3C=NC4=C(N=CN=C43)N)C
InChI: InChI=1S/C13H15N5O5/c1-13(2)22-6-7(23-13)11(21-8(6)12(19)20)18-4-17-5-9(14)15-3-16-10(5)18/h3-4,6-8,11H,1-2H3,(H,19,20)(H2,14,15,16)/t6-,7+,8+,11+/m0/s1
SMILES: C[C@@H](C(=O)NC1=CC(=CC(=C1)OC)OC)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C19H22N2O5/c1-11(21-18(23)15-6-4-5-7-16(15)19(21)24)17(22)20-12-8-13(25-2)10-14(9-12)26-3/h4-5,8-11,15-16H,6-7H2,1-3H3,(H,20,22)/t11-,15+,16+/m0/s1
SMILES: CCOC1=C(C=CC(=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)N(C)C8=C(C=CC(=N8)C(F)(F)F)Cl)O
InChI: InChI=1S/C41H31Cl3F6N6O6/c1-3-62-29-14-18(4-12-28(29)57)32-22-9-10-23-31(37(60)56(35(23)58)54(2)34-26(43)11-13-30(52-34)41(48,49)50)24(22)16-25-36(59)55(38(61)39(25,32)19-5-7-21(42)8-6-19)53-33-27(44)15-20(17-51-33)40(45,46)47/h4-9,11-15,17,23-25,31-32,57H,3,10,16H2,1-2H3,(H,51,53)/t23-,24+,25-,31-,32-,39+/m0/s1
SMILES: CC1=CC(=C2C(=C1C)[C@@H]3C=CC[C@@H]3[C@@H](N2)C4=CC=C(C=C4)[N+](=O)[O-])Br
InChI: InChI=1S/C20H19BrN2O2/c1-11-10-17(21)20-18(12(11)2)15-4-3-5-16(15)19(22-20)13-6-8-14(9-7-13)23(24)25/h3-4,6-10,15-16,19,22H,5H2,1-2H3/t15-,16+,19+/m1/s1
SMILES: C=C1[C@@H]([C@H](NC(=O)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC=C3C(F)(F)F
InChI: InChI=1S/C19H15ClF3N3O2/c1-10-15(16(26-18(28)24-10)11-5-4-6-12(20)9-11)17(27)25-14-8-3-2-7-13(14)19(21,22)23/h2-9,15-16H,1H2,(H,25,27)(H2,24,26,28)/t15-,16+/m0/s1
SMILES: CCCCCC[C@H]1[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)CCCCC#C
InChI: InChI=1S/C21H31NO2S/c1-4-6-8-10-12-20-21(13-11-9-7-5-2)22(20)25(23,24)19-16-14-18(3)15-17-19/h1,14-17,20-21H,5-13H2,2-3H3/t20-,21-,22?/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)N4[C@@]3(CCC=CC4=O)C)C
InChI: InChI=1S/C27H43NO2/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(30)28-24(29)11-6-7-15-27(28,5)23(20)14-16-26(21,22)4/h6,11,18-23H,7-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,26-,27-/m1/s1
SMILES: CCOC(=O)[C@H]1C=NC(C[C@@]1(C2=CC=CC=C2)O[Si](C)(C)C)(C(=O)OCC)C(=O)OCC
InChI: InChI=1S/C23H33NO7Si/c1-7-28-19(25)18-15-24-22(20(26)29-8-2,21(27)30-9-3)16-23(18,31-32(4,5)6)17-13-11-10-12-14-17/h10-15,18H,7-9,16H2,1-6H3/t18-,23+/m1/s1
SMILES: CC(C)[C@@H]1[C@@H]2[C@H]1C(=O)C([C@@H]3[C@H]2[C@H](CC3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)SC6=CC=CC=C6
InChI: InChI=1S/C35H42O2SSi/c1-23(2)29-31-30-27(34(33(36)32(29)31)38-24-15-9-6-10-16-24)21-22-28(30)37-39(35(3,4)5,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23,27-32,34H,21-22H2,1-5H3/t27-,28-,29+,30-,31-,32-,34?/m0/s1
SMILES: C/C(=C\C(=O)C)/N1[C@@H]([C@@H]2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C23H23N3O4/c1-14(11-15(2)27)25-23(17-5-4-6-18(12-17)26(28)29)21-9-7-16-13-19(30-3)8-10-20(16)22(21)24-25/h4-6,8,10-13,21,23H,7,9H2,1-3H3/b14-11+/t21-,23-/m1/s1
SMILES: CCN1C(=O)[C@H]2[C@H](C1=O)[C@](N[C@H]2C3=CC=CO3)(CC4=CC=CC=C4)C(=O)OCC
InChI: InChI=1S/C22H24N2O5/c1-3-24-19(25)16-17(20(24)26)22(21(27)28-4-2,13-14-9-6-5-7-10-14)23-18(16)15-11-8-12-29-15/h5-12,16-18,23H,3-4,13H2,1-2H3/t16-,17+,18-,22+/m0/s1
SMILES: CC(=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)C(=O)C)C
InChI: InChI=1S/C23H31NO/c1-16(2)9-12-24-13-11-23-10-5-4-6-20(23)22(24)15-19-8-7-18(17(3)25)14-21(19)23/h7-9,14,20,22H,4-6,10-13,15H2,1-3H3/t20-,22+,23+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)COC(=O)C(CO)O
InChI: InChI=1S/C33H54O5/c1-20(2)21-10-15-33(19-38-28(37)23(35)18-34)17-16-31(6)22(27(21)33)8-9-25-30(5)13-12-26(36)29(3,4)24(30)11-14-32(25,31)7/h21-27,34-36H,1,8-19H2,2-7H3/t21-,22?,23?,24?,25?,26-,27?,30-,31+,32+,33+/m0/s1
SMILES: C/C(=N\N)/[C@]12CC[C@@H]3[C@]1(C2)CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C
InChI: InChI=1S/C21H32N2O/c1-13(23-22)20-9-7-18-16-4-3-14-11-15(24)5-8-19(14,2)17(16)6-10-21(18,20)12-20/h3,15-18,24H,4-12,22H2,1-2H3/b23-13+/t15-,16+,17-,18-,19-,20+,21+/m0/s1
SMILES: COC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCSC[C@@H]4CCCN5[C@@H]4CCCC5
InChI: InChI=1S/C26H32N2O2S2/c1-30-20-11-12-25-23(17-20)28(22-9-2-3-10-24(22)32-25)26(29)13-16-31-18-19-7-6-15-27-14-5-4-8-21(19)27/h2-3,9-12,17,19,21H,4-8,13-16,18H2,1H3/t19-,21+/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](OC3=C(C2O)C(=CC(=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C6=CC(=C(C=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C50H44O7/c51-48-47-45(55-34-39-22-12-4-13-23-39)29-42(52-31-36-16-6-1-7-17-36)30-46(47)57-49(50(48)56-35-40-24-14-5-15-25-40)41-26-27-43(53-32-37-18-8-2-9-19-37)44(28-41)54-33-38-20-10-3-11-21-38/h1-30,48-51H,31-35H2/t48?,49-,50+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]([C@H]2C(=O)[O-])C(=O)NC3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C16H17NO5/c18-15(13-8-1-2-9(5-8)14(13)16(19)20)17-10-3-4-11-12(6-10)22-7-21-11/h3-4,6,8-9,13-14H,1-2,5,7H2,(H,17,18)(H,19,20)/p-1/t8-,9+,13+,14+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)O)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)CCCC(=O)O
InChI: InChI=1S/C30H21Cl2F5N2O7/c31-29-10-15-13(7-8-14-17(15)26(44)38(25(14)43)9-1-2-16(41)42)18(11-3-5-12(40)6-4-11)30(29,32)28(46)39(27(29)45)24-22(36)20(34)19(33)21(35)23(24)37/h3-7,14-15,17-18,40H,1-2,8-10H2,(H,41,42)/t14-,15+,17-,18-,29+,30-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@H]2C[C@@H]3[C@H](CS2)OC(O3)(C)C
InChI: InChI=1S/C15H20O4S2/c1-10-4-6-11(7-5-10)21(16,17)14-8-12-13(9-20-14)19-15(2,3)18-12/h4-7,12-14H,8-9H2,1-3H3/t12-,13+,14+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=O)(/C=C/[C@@H]6[C@H](C[C@@H](O6)N7C=C(C(=O)NC7=O)C)OP(N(C(C)C)C(C)C)OCCC#N)OCCC#N
InChI: InChI=1S/C54H65N7O14P2/c1-35(2)61(36(3)4)76(70-27-12-25-55)74-45-30-48(59-32-37(5)50(62)57-52(59)64)72-44(45)24-29-77(66,71-28-13-26-56)75-46-31-49(60-33-38(6)51(63)58-53(60)65)73-47(46)34-69-54(39-14-10-9-11-15-39,40-16-20-42(67-7)21-17-40)41-18-22-43(68-8)23-19-41/h9-11,14-24,29,32-33,35-36,44-49H,12-13,27-28,30-31,34H2,1-8H3,(H,57,62,64)(H,58,63,65)/b29-24+/t44-,45+,46+,47-,48-,49-,76?,77?/m1/s1
SMILES: CCC1=CC=CC(=C1NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)O3)C
InChI: InChI=1S/C17H19NO4/c1-3-10-6-4-5-9(2)15(10)18-16(19)13-11-7-8-12(22-11)14(13)17(20)21/h4-8,11-14H,3H2,1-2H3,(H,18,19)(H,20,21)/t11-,12+,13+,14+/m1/s1
SMILES: CCO[C@@H](CBr)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H27BrO11/c1-6-24-14(7-19)30-18-17(28-12(5)23)16(27-11(4)22)15(26-10(3)21)13(29-18)8-25-9(2)20/h13-18H,6-8H2,1-5H3/t13-,14-,15-,16+,17-,18+/m1/s1
SMILES: CC(=O)OC1=C2C=C[C@H]3[C@@H]4CCC(=O)[C@]4(CC[C@@H]3[C@]2(C=CC1)C)C
InChI: InChI=1S/C21H26O3/c1-13(22)24-18-5-4-11-20(2)16-10-12-21(3)15(8-9-19(21)23)14(16)6-7-17(18)20/h4,6-7,11,14-16H,5,8-10,12H2,1-3H3/t14-,15-,16-,20+,21-/m0/s1
SMILES: CNC1=C(C2=CC(=C(C=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)Cl)C=O
InChI: InChI=1S/C15H16Cl2N2O5/c1-18-14-7(4-20)6-2-8(16)9(17)3-10(6)19(14)15-13(23)12(22)11(5-21)24-15/h2-4,11-13,15,18,21-23H,5H2,1H3/t11-,12-,13-,15-/m1/s1
SMILES: CC1=CC(=C(C=C1)C)COC2=CC3=C(C=C2)C(=C(C(=O)O3)CC(=O)N4CC[C@]5(CCCC[C@@H]5C4)O)C
InChI: InChI=1S/C30H35NO5/c1-19-7-8-20(2)22(14-19)18-35-24-9-10-25-21(3)26(29(33)36-27(25)15-24)16-28(32)31-13-12-30(34)11-5-4-6-23(30)17-31/h7-10,14-15,23,34H,4-6,11-13,16-18H2,1-3H3/t23-,30+/m1/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)OC)O)CC=O)C)\C)CO
InChI: InChI=1S/C30H48O10/c1-7-25-22(16-32)12-17(2)8-9-23(33)18(3)13-21(10-11-31)29(20(5)24(34)15-27(35)39-25)40-30-28(36)26(37-6)14-19(4)38-30/h8-9,11-12,18-22,24-26,28-30,32,34,36H,7,10,13-16H2,1-6H3/b9-8+,17-12+/t18-,19-,20+,21+,22-,24-,25-,26+,28-,29-,30+/m1/s1
SMILES: CC(=O)C[C@]1([C@@H]2CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC1=O)O
InChI: InChI=1S/C17H22O4/c1-9-5-7-13-15(14-10(2)4-6-12(9)14)21-16(19)17(13,20)8-11(3)18/h12-15,20H,1-2,4-8H2,3H3/t12-,13+,14-,15-,17+/m0/s1
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(C)(C(=O)O)O)O
InChI: InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17-,18-,19+,23-,26?/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)C#N)C(=O)[O-]
InChI: InChI=1S/C15H16N2O3/c16-9-10-5-7-11(8-6-10)17-14(18)12-3-1-2-4-13(12)15(19)20/h5-8,12-13H,1-4H2,(H,17,18)(H,19,20)/p-1/t12-,13+/m1/s1
SMILES: CCCC1[C@H](C[C@@H]2[C@H]1CN(C2)C(C)C)NC(=O)CNC(=O)C3=C(C=CC(=C3)C(F)(F)F)C4=C(C=CC(=C4)C(F)(F)F)NC(=O)NN5CCOCC5
InChI: InChI=1S/C35H44F6N6O4/c1-4-5-25-28-19-46(20(2)3)18-21(28)14-30(25)43-31(48)17-42-32(49)27-16-22(34(36,37)38)6-8-24(27)26-15-23(35(39,40)41)7-9-29(26)44-33(50)45-47-10-12-51-13-11-47/h6-9,15-16,20-21,25,28,30H,4-5,10-14,17-19H2,1-3H3,(H,42,49)(H,43,48)(H2,44,45,50)/t21-,25?,28+,30-/m0/s1
SMILES: C1CCC(CC1)NC(=O)[C@H]2C[NH+]3CC[C@H]2C[C@@H]3CN4C=C(N=N4)COC5=CC=CC=C5
InChI: InChI=1S/C24H33N5O2/c30-24(25-19-7-3-1-4-8-19)23-16-28-12-11-18(23)13-21(28)15-29-14-20(26-27-29)17-31-22-9-5-2-6-10-22/h2,5-6,9-10,14,18-19,21,23H,1,3-4,7-8,11-13,15-17H2,(H,25,30)/p+1/t18-,21+,23-/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)N(C(=O)[C@@H]([C@@H](S2)C3=CC=C(C=C3)OC)O)CCN(C)C
InChI: InChI=1S/C23H30N2O3S/c1-15(2)17-8-11-19-20(14-17)29-22(16-6-9-18(28-5)10-7-16)21(26)23(27)25(19)13-12-24(3)4/h6-11,14-15,21-22,26H,12-13H2,1-5H3/t21-,22+/m1/s1
SMILES: C=C1[C@H]([C@H](NC(=O)N1)C2=CC=CS2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H14N4O4S/c1-9-13(14(19-16(22)17-9)12-6-3-7-25-12)15(21)18-10-4-2-5-11(8-10)20(23)24/h2-8,13-14H,1H2,(H,18,21)(H2,17,19,22)/t13-,14-/m1/s1
SMILES: C[C@@H]1C[C@]([C@@H](CN1C)C)(CC2=CC=CC=C2)NCCC3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C25H36N2O2/c1-19-18-27(3)20(2)16-25(19,17-22-9-7-6-8-10-22)26-14-13-21-11-12-23(28-4)24(15-21)29-5/h6-12,15,19-20,26H,13-14,16-18H2,1-5H3/t19-,20-,25-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@]2(C[C@H](O1)OC)CO2
InChI: InChI=1S/C13H26O4Si/c1-12(2,3)18(5,6)16-8-10-13(9-15-13)7-11(14-4)17-10/h10-11H,7-9H2,1-6H3/t10-,11+,13-/m1/s1
SMILES: C/C=C(/C=C/C1=CC=CC=C1)\[C@H]2[C@@H](N2S(=O)(=O)C3=C(C=C(C=C3C)C)C)C(C)C
InChI: InChI=1S/C25H31NO2S/c1-7-22(14-13-21-11-9-8-10-12-21)24-23(17(2)3)26(24)29(27,28)25-19(5)15-18(4)16-20(25)6/h7-17,23-24H,1-6H3/b14-13+,22-7-/t23-,24-,26?/m0/s1
SMILES: C[C@H]1OC[C@@H]2[C@H](O1)[C@@H]([C@H]([13C@@H](O2)OC)O)O
InChI: InChI=1S/C9H16O6/c1-4-13-3-5-8(14-4)6(10)7(11)9(12-2)15-5/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8-,9+/m0/s1/i9+1
SMILES: CCSC1[C@H]([C@@H]([C@@H]([C@H](O1)C[C@H](C=O)O[Si](C)(C)C(C)(C)C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C24H50O4SSi2/c1-14-29-22-18(3)21(28-31(12,13)24(7,8)9)17(2)20(26-22)15-19(16-25)27-30(10,11)23(4,5)6/h16-22H,14-15H2,1-13H3/t17-,18+,19-,20-,21-,22?/m1/s1
SMILES: C[C@]12CCC3=NON=C3[C@H]1CC[C@@H]4C2CC[C@]5(C4CC[C@@H]5O)C
InChI: InChI=1S/C19H28N2O2/c1-18-10-8-15-17(21-23-20-15)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-14,16,22H,3-10H2,1-2H3/t11-,12?,13?,14+,16-,18+,19-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)CCCO)O
InChI: InChI=1S/C21H30O3/c1-21-9-8-15-16(18(21)6-7-20(21)24)5-4-13-12-19(23)14(3-2-10-22)11-17(13)15/h11-12,15-16,18,20,22-24H,2-10H2,1H3/t15-,16+,18-,20-,21-/m0/s1
SMILES: C=CCCCCCCCCOP(=O)(O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CF)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C22H40FO13P/c1-2-3-4-5-6-7-8-9-10-32-37(30,31)36-22-19(29)17(27)20(13(11-23)33-22)35-21-18(28)16(26)15(25)14(12-24)34-21/h2,13-22,24-29H,1,3-12H2,(H,30,31)/t13-,14-,15+,16+,17-,18-,19+,20-,21+,22-/m1/s1
SMILES: COC(=O)C[C@@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.N
InChI: InChI=1S/C16H23N6O10P.H3N/c1-29-9(23)3-7(16(26)30-2)21-33(27,28)31-4-8-11(24)12(25)15(32-8)22-6-20-10-13(17)18-5-19-14(10)22;/h5-8,11-12,15,24-25H,3-4H2,1-2H3,(H2,17,18,19)(H2,21,27,28);1H3/t7-,8+,11+,12+,15+;/m0./s1
SMILES: CCCC1=CN(C(=O)N=C1N)[C@H]2[C@@H](C3C(O2)COP(=O)(O3)O)O
InChI: InChI=1S/C12H18N3O7P/c1-2-3-6-4-15(12(17)14-10(6)13)11-8(16)9-7(21-11)5-20-23(18,19)22-9/h4,7-9,11,16H,2-3,5H2,1H3,(H,18,19)(H2,13,14,17)/t7?,8-,9?,11-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@]1(CC/C=C(\C[C@@H](O[C@@H]1/C=C/C(=O)OC)/C=C(\C)/C=C/OCC2=CC=CC=C2)/C)C
InChI: InChI=1S/C32H48O5Si/c1-8-38(9-2,10-3)37-32(6)21-14-15-26(4)23-29(36-30(32)18-19-31(33)34-7)24-27(5)20-22-35-25-28-16-12-11-13-17-28/h11-13,15-20,22,24,29-30H,8-10,14,21,23,25H2,1-7H3/b19-18+,22-20+,26-15-,27-24+/t29-,30-,32-/m1/s1
SMILES: CC(=O)[C@@H]1[C@H]([C@H]([C@](CC1=O)(C)O)C(=O)C)C2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C19H24O6/c1-10(20)16-13(22)9-19(3,23)18(11(2)21)17(16)12-6-7-14(24-4)15(8-12)25-5/h6-8,16-18,23H,9H2,1-5H3/t16-,17+,18+,19+/m0/s1
SMILES: C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@@H](CC56[C@]3(CC[C@H]1[C@@]62O)COC(=O)C)C(=O)OC
InChI: InChI=1S/C25H35NO5/c1-14-11-26-12-17-6-4-16-5-7-18-19(22(28)30-3)10-24(21(16)18)23(17,13-31-15(2)27)9-8-20(14)25(24,26)29/h14,17-20,29H,4-13H2,1-3H3/t14-,17-,18-,19-,20-,23-,24?,25-/m1/s1
SMILES: CC1(N([C@H]([C@@H](O1)C(=O)OC(CCC(=O)OC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)CC(C)(C)C)CC3CCCCC3)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C42H66N2O11/c1-39(2,3)25-30(22-23-33(45)50-27-31(35(46)54-40(4,5)6)43-37(48)51-26-29-20-16-13-17-21-29)52-36(47)34-32(24-28-18-14-12-15-19-28)44(42(10,11)53-34)38(49)55-41(7,8)9/h13,16-17,20-21,28,30-32,34H,12,14-15,18-19,22-27H2,1-11H3,(H,43,48)/t30?,31-,32-,34+/m0/s1
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)OC)COCC4=CC=CC=C4)OCC5=CC=CC=C5)O)OCC6=CC=CC=C6)O
InChI: InChI=1S/C41H48O10/c1-28-34(42)37(47-25-31-19-11-5-12-20-31)35(43)40(49-28)51-38-36(46-24-30-17-9-4-10-18-30)33(27-45-23-29-15-7-3-8-16-29)50-41(44-2)39(38)48-26-32-21-13-6-14-22-32/h3-22,28,33-43H,23-27H2,1-2H3/t28-,33+,34-,35+,36+,37+,38-,39-,40+,41-/m0/s1
SMILES: C[C@@H]1CCC2[C@H]([C@H](OC3[C@@]24C1CC[C@@](O3)(OO4)C)OC5=CC=C(C=C5)/C=C/CO)C
InChI: InChI=1S/C24H32O6/c1-15-6-11-20-16(2)21(26-18-9-7-17(8-10-18)5-4-14-25)27-22-24(20)19(15)12-13-23(3,28-22)29-30-24/h4-5,7-10,15-16,19-22,25H,6,11-14H2,1-3H3/b5-4+/t15-,16-,19?,20?,21+,22?,23+,24-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@@H]2[C@H](O1)O[C@@](O2)(C)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OCC=C)COCC6=CC=CC=C6)OC(=O)C)OC(=O)C
InChI: InChI=1S/C44H50O16/c1-6-22-50-42-39(57-41(48)32-20-14-9-15-21-32)37(52-24-31-18-12-8-13-19-31)36(33(55-42)25-49-23-30-16-10-7-11-17-30)58-44(5)59-40-38(54-29(4)47)35(53-28(3)46)34(26-51-27(2)45)56-43(40)60-44/h6-21,33-40,42-43H,1,22-26H2,2-5H3/t33-,34-,35+,36+,37+,38+,39-,40-,42-,43-,44+/m1/s1
SMILES: C1[C@@H](O[C@@H]([C@H]1O)COCC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C21H24O5/c22-19-11-18(12-21(23)25-14-17-9-5-2-6-10-17)26-20(19)15-24-13-16-7-3-1-4-8-16/h1-10,18-20,22H,11-15H2/t18-,19+,20-/m1/s1
SMILES: CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H]4[C@H]3C(=NO4)C5=CC=C(C=C5)OCC=C
InChI: InChI=1S/C20H20N2O4/c1-3-8-25-11-6-4-10(5-7-11)17-16-12-9-13(18(16)26-21-17)15-14(12)19(23)22(2)20(15)24/h3-7,12-16,18H,1,8-9H2,2H3/t12-,13+,14+,15-,16+,18+/m0/s1
SMILES: CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)[C@H]3C[C@@H]3C
InChI: InChI=1S/C20H23N3O5/c1-3-22-18(25)16(15(24)11-28-19(26)14-9-12(14)2)17(21)23(20(22)27)10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11,21H2,1-2H3/t12-,14-/m0/s1
SMILES: CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@@](C[C@@H]6CCCN(C6)CC=C)(C7=CC8=CC=CC=C8N7)C(=O)OC)OC)C
InChI: InChI=1S/C45H56N4O8/c1-8-19-48-20-12-14-29(27-48)26-44(40(51)55-6,36-23-30-15-10-11-16-33(30)46-36)32-24-31-34(25-35(32)54-5)47(4)38-43(31)18-22-49-21-13-17-42(9-2,37(43)49)39(57-28(3)50)45(38,53)41(52)56-7/h8,10-11,13,15-17,23-25,29,37-39,46,53H,1,9,12,14,18-22,26-27H2,2-7H3/t29-,37-,38+,39+,42+,43+,44-,45-/m0/s1
SMILES: C/C=C/1\C[C@H]2[C@@H]3CC[C@@H]4[C@@]([C@H]3CC[C@@]2([C@H]1O)C)(C=CC(=O)N4C)C
InChI: InChI=1S/C21H31NO2/c1-5-13-12-16-14-6-7-17-20(2,11-9-18(23)22(17)4)15(14)8-10-21(16,3)19(13)24/h5,9,11,14-17,19,24H,6-8,10,12H2,1-4H3/b13-5+/t14-,15+,16+,17-,19+,20-,21+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)C[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N
InChI: InChI=1S/C11H15N5O4/c12-10-7-11(14-3-13-10)16(4-15-7)1-5-8(18)9(19)6(2-17)20-5/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6+,8+,9+/m0/s1
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)N2[C@@H]3[C@H](NC(=O)N3)NC2=O
InChI: InChI=1S/C13H14N4O4/c18-11(19)8(6-7-4-2-1-3-5-7)17-10-9(15-13(17)21)14-12(20)16-10/h1-5,8-10H,6H2,(H,15,21)(H,18,19)(H2,14,16,20)/t8-,9+,10+/m0/s1
SMILES: CCC(CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C(=O)CCCC4=CNC5=CC=CC=C54
InChI: InChI=1S/C37H55N8O17P3S/c1-4-22(26(46)11-7-8-23-16-41-25-10-6-5-9-24(23)25)18-66-15-14-39-28(47)12-13-40-35(50)32(49)37(2,3)19-59-65(56,57)62-64(54,55)58-17-27-31(61-63(51,52)53)30(48)36(60-27)45-21-44-29-33(38)42-20-43-34(29)45/h5-6,9-10,16,20-22,27,30-32,36,41,48-49H,4,7-8,11-15,17-19H2,1-3H3,(H,39,47)(H,40,50)(H,54,55)(H,56,57)(H2,38,42,43)(H2,51,52,53)/t22?,27-,30-,31-,32+,36-/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O)N4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C22H21NO7/c1-27-22-16(23-19(25)13-9-5-6-10-14(13)20(23)26)17(24)18-15(29-22)11-28-21(30-18)12-7-3-2-4-8-12/h2-10,15-18,21-22,24H,11H2,1H3/t15-,16-,17-,18-,21?,22-/m1/s1