EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C[C@H]2[C@@H]3[C@H](C(=O)N(C3=O)CC4=CC=CC=C4)[C@]5(N2C1)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C23H21N3O3/c27-20-18-17-11-6-12-26(17)23(15-9-4-5-10-16(15)24-22(23)29)19(18)21(28)25(20)13-14-7-2-1-3-8-14/h1-5,7-10,17-19H,6,11-13H2,(H,24,29)/t17-,18+,19+,23+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=C(C=C7)OCCO)C(=O)N(C5=O)C(=O)N
InChI: InChI=1S/C36H34N4O7/c1-20-7-11-23(12-8-20)38-40-32(43)28-19-27-25(15-16-26-29(27)33(44)39(31(26)42)35(37)46)30(21-9-13-24(14-10-21)47-18-17-41)36(28,34(40)45)22-5-3-2-4-6-22/h2-15,26-30,38,41H,16-19H2,1H3,(H2,37,46)/t26-,27+,28-,29-,30-,36+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@]3([C@@]2(C(N=C3N)(OC)OC)C#N)C#N)OC
InChI: InChI=1S/C17H18N4O4/c1-22-11-6-5-10(7-12(11)23-2)13-15(8-18)14(20)21-17(24-3,25-4)16(13,15)9-19/h5-7,13H,1-4H3,(H2,20,21)/t13-,15-,16-/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)CN(C2CC2)C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C24H32N2O3/c1-16(2)18-9-7-17(8-10-18)15-26(19-11-12-19)22(27)13-14-25-23(28)20-5-3-4-6-21(20)24(25)29/h7-10,16,19-21H,3-6,11-15H2,1-2H3/t20-,21-/m0/s1
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)OC)C(=O)NC)CCC(=O)OC)C)C)C=C)C
InChI: InChI=1S/C36H41N5O5/c1-10-21-17(3)24-14-26-19(5)23(12-13-30(42)45-8)33(40-26)32(35(43)37-7)34-31(36(44)46-9)20(6)27(41-34)16-29-22(11-2)18(4)25(39-29)15-28(21)38-24/h10,14-16,19,23,38-39H,1,11-13H2,2-9H3,(H,37,43)/t19-,23-/m0/s1
SMILES: CC(=O)NC1=C(C=CC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]4[C@H](O3)COC(O4)CC5=CC=C(C=C5)[N+](=O)[O-])O)O)O)O)Cl
InChI: InChI=1S/C29H35ClN2O14/c1-13(34)31-18-8-15(4-7-17(18)30)11-42-28-24(37)22(35)26(19(10-33)43-28)46-29-25(38)23(36)27-20(44-29)12-41-21(45-27)9-14-2-5-16(6-3-14)32(39)40/h2-8,19-29,33,35-38H,9-12H2,1H3,(H,31,34)/t19-,20-,21?,22-,23-,24-,25-,26-,27-,28-,29-/m1/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C(=CC5=O)C)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7)O
InChI: InChI=1S/C37H29NO6/c1-19-7-6-10-25(33(19)40)30-24-15-16-26-31(27(24)18-28-29(39)17-20(2)34(41)32(28)30)37(44)38(36(26)43)23-13-11-22(12-14-23)35(42)21-8-4-3-5-9-21/h3-15,17,26-27,30-31,40H,16,18H2,1-2H3/t26-,27+,30+,31-/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)O[C@@H](C2=O)CN[C@@]3([C@H](O[C@H]4[C@@H]3OC(O4)(C)C)CO)C#N)C
InChI: InChI=1S/C17H24N2O8/c1-15(2)24-11-10(21)8(22-13(11)26-15)5-19-17(7-18)9(6-20)23-14-12(17)25-16(3,4)27-14/h8-9,11-14,19-20H,5-6H2,1-4H3/t8-,9-,11-,12+,13-,14-,17-/m1/s1
SMILES: C/C(=C/1\[C@H]2[C@H](C2(C)C)CC1=O)/N3C[C@]4(C[C@H]3CC(C4)(C)C)C
InChI: InChI=1S/C20H31NO/c1-12(16-15(22)7-14-17(16)19(14,4)5)21-11-20(6)9-13(21)8-18(2,3)10-20/h13-14,17H,7-11H2,1-6H3/b16-12+/t13-,14-,17-,20+/m1/s1
SMILES: COC1=CC(=C(C=C1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)OC)O)O)O)C(=O)/C=C/C3=CC4=C(C=C3)OC=C4)O
InChI: InChI=1S/C26H26O11/c1-33-20-11-18(28)15(17(27)5-3-13-4-6-19-14(9-13)7-8-35-19)10-16(20)25-24(31)23(30)22(29)21(37-25)12-36-26(32)34-2/h3-11,21-25,28-31H,12H2,1-2H3/b5-3+/t21-,22-,23+,24-,25+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NC4CCCCC4)N=C(S3)NC5=CC=CC=C5)(C)CO)O
InChI: InChI=1S/C28H39N3O3S/c1-27-14-13-23(33)28(2,17-32)22(27)16-21-25(31-26(35-21)30-19-11-7-4-8-12-19)20(27)15-24(34)29-18-9-5-3-6-10-18/h4,7-8,11-12,18,20,22-23,32-33H,3,5-6,9-10,13-17H2,1-2H3,(H,29,34)(H,30,31)/t20-,22+,23-,27+,28+/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]1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)/C=C/C6=CC=C(C=C6)C(=O)C7=CC=CC=C7)C)OC(=O)C
InChI: InChI=1S/C49H50O14/c1-27-35(59-28(2)50)25-49(57)44(62-45(56)34-16-12-9-13-17-34)42-47(7,43(55)41(60-29(3)51)39(27)46(49,5)6)36(24-37-48(42,26-58-37)63-30(4)52)61-38(53)23-20-31-18-21-33(22-19-31)40(54)32-14-10-8-11-15-32/h8-23,35-37,41-42,44,57H,24-26H2,1-7H3/b23-20+/t35-,36-,37+,41+,42-,44-,47+,48-,49+/m0/s1
SMILES: COC(=O)CC[C@@H]1[C@@H](C(=O)N1OCC2=CC=CC=C2)N3C(=C(OC3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H26N2O6/c1-35-24(32)18-17-23-26(28(33)31(23)36-19-20-11-5-2-6-12-20)30-25(21-13-7-3-8-14-21)27(37-29(30)34)22-15-9-4-10-16-22/h2-16,23,26H,17-19H2,1H3/t23-,26+/m1/s1
SMILES: C[C@]12CCC(=C3C=CC=C3)C[C@@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@H]5O)C
InChI: InChI=1S/C24H34O/c1-23-13-11-17(16-5-3-4-6-16)15-18(23)7-8-19-20-9-10-22(25)24(20,2)14-12-21(19)23/h3-6,18-22,25H,7-15H2,1-2H3/t18-,19-,20-,21-,22-,23-,24-/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(O2)C(C)(C)CNC(=O)NC3=CC=CC=C3)C(=O)O)O
InChI: InChI=1S/C19H23N3O6/c1-10(23)12-15(24)22-13(17(25)26)14(28-16(12)22)19(2,3)9-20-18(27)21-11-7-5-4-6-8-11/h4-8,10,12,16,23H,9H2,1-3H3,(H,25,26)(H2,20,21,27)/t10-,12+,16-/m1/s1
SMILES: C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)[NH2+]CC[NH3+])O)O)O
InChI: InChI=1S/C8H18N2O4/c1-4-5(11)6(12)7(13)8(14-4)10-3-2-9/h4-8,10-13H,2-3,9H2,1H3/p+2/t4-,5+,6-,7-,8+/m0/s1
SMILES: C1[C@@H]([C@@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
InChI: InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29+/m0/s1
SMILES: C#CCSCC(C(=O)N[C@H]1[C@H]([C@@H](O[C@@H]1C(=O)O)N2C=NC3=C(N=CN=C32)N)O)N
InChI: InChI=1S/C16H19N7O5S/c1-2-3-29-4-7(17)14(25)22-8-10(24)15(28-11(8)16(26)27)23-6-21-9-12(18)19-5-20-13(9)23/h1,5-8,10-11,15,24H,3-4,17H2,(H,22,25)(H,26,27)(H2,18,19,20)/t7?,8-,10+,11-,15+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@@H]34
InChI: InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15-,16+,17+,18+/m1/s1
SMILES: C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NCCC2=CC=C(C=C2)C(C)C
InChI: InChI=1S/C22H30N2O6/c1-14(2)17-6-4-16(5-7-17)8-9-23-21(26)13-30-22(27)11-18-19(12-24(28)29)15(3)10-20(18)25/h4-7,14-15,18-19H,8-13H2,1-3H3,(H,23,26)/t15-,18+,19+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3CC(=O)O[C@@H]3[C@H](CO)Br
InChI: InChI=1S/C22H27BrO4Si/c1-22(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)27-19-14-20(25)26-21(19)18(23)15-24/h4-13,18-19,21,24H,14-15H2,1-3H3/t18-,19-,21+/m0/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=C(C=CC(=C4)Cl)O)C(=O)N(C3=O)C5=CC=C(C=C5)C(=O)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9
InChI: InChI=1S/C46H33ClN2O7/c47-29-15-22-37(50)35(23-29)38-32-20-21-33-39(45(55)48(43(33)53)30-16-11-27(12-17-30)41(51)25-7-3-1-4-8-25)34(32)24-36-40(38)46(56)49(44(36)54)31-18-13-28(14-19-31)42(52)26-9-5-2-6-10-26/h1-20,22-23,33-34,36,38-40,50H,21,24H2/t33-,34+,36+,38+,39-,40+/m0/s1
SMILES: C[C@]12CCCC(C1CC[C@@]3(C2CCC4[C@]3([C@H](CC5[C@@]4(CC[C@@H]5C(C)(C)O)C)O)C)C)(C)C
InChI: InChI=1S/C30H52O2/c1-25(2)14-9-15-28(6)21(25)13-17-29(7)22(28)10-11-23-27(5)16-12-19(26(3,4)32)20(27)18-24(31)30(23,29)8/h19-24,31-32H,9-18H2,1-8H3/t19-,20?,21?,22?,23?,24-,27-,28-,29+,30-/m0/s1
SMILES: C/C(=C\C(=O)O)/C=C/[C@@H]1C[C@]1(C)C2=CC3=C(C=C2)C(=CC(O3)(C)C)C(C)(C)C
InChI: InChI=1S/C25H32O3/c1-16(12-22(26)27)8-9-18-14-25(18,7)17-10-11-19-20(23(2,3)4)15-24(5,6)28-21(19)13-17/h8-13,15,18H,14H2,1-7H3,(H,26,27)/b9-8+,16-12+/t18-,25-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@H](/C(=C/C#N)/[C@@H](O1)N2C=CC(=O)NC2=O)O
InChI: InChI=1S/C20H31N3O5Si/c1-12(2)29(13(3)4,14(5)6)27-11-16-18(25)15(7-9-21)19(28-16)23-10-8-17(24)22-20(23)26/h7-8,10,12-14,16,18-19,25H,11H2,1-6H3,(H,22,24,26)/b15-7-/t16-,18+,19-/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@H]([C@]23CNC(=O)O3)[Se][Se][C@H]4[C@H]5CC[C@@]([C@@]46CNC(=O)O6)(C5(C)C)C
InChI: InChI=1S/C24H36N2O4Se2/c1-19(2)13-7-9-21(19,5)23(11-25-17(27)29-23)15(13)31-32-16-14-8-10-22(6,20(14,3)4)24(16)12-26-18(28)30-24/h13-16H,7-12H2,1-6H3,(H,25,27)(H,26,28)/t13-,14-,15+,16+,21-,22-,23-,24-/m1/s1
SMILES: CCCCC[C@@H]1[C@@H](O1)C(=O)CCCCC[C@@H]2[C@@H](O2)C(=O)CC(CCC[C@@H]3[C@@H](O3)C(=O)C)O
InChI: InChI=1S/C25H40O7/c1-3-4-6-12-21-24(31-21)18(28)11-7-5-8-13-22-25(32-22)19(29)15-17(27)10-9-14-20-23(30-20)16(2)26/h17,20-25,27H,3-15H2,1-2H3/t17?,20-,21-,22-,23+,24+,25+/m1/s1
SMILES: CCCCCCCCSC1=C(N2[C@H]([C@H]1C)[C@H](C2=O)[C@@H](C)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C25H34N2O6S/c1-4-5-6-7-8-9-14-34-23-16(2)21-20(17(3)28)24(29)26(21)22(23)25(30)33-15-18-10-12-19(13-11-18)27(31)32/h10-13,16-17,20-21,28H,4-9,14-15H2,1-3H3/t16-,17-,20-,21-/m1/s1
SMILES: CCC[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C
InChI: InChI=1S/C18H30O4/c1-5-6-15-12(3)14-8-7-11(2)13-9-10-17(4)20-16(19-15)18(13,14)22-21-17/h11-16H,5-10H2,1-4H3/t11-,12-,13+,14+,15-,16-,17-,18-/m1/s1
SMILES: C[C@]12C[C@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)[O-])CCC5=CC(=O)C=C[C@@]53C)F)O
InChI: InChI=1S/C23H29FO6/c1-19(2)29-17-10-15-14-6-5-12-9-13(25)7-8-20(12,3)22(14,24)16(26)11-21(15,4)23(17,30-19)18(27)28/h7-9,14-17,26H,5-6,10-11H2,1-4H3,(H,27,28)/p-1/t14-,15-,16+,17+,20-,21-,22-,23-/m0/s1
SMILES: CC(C)[C@@H](C(=O)N)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/C19H29NO11/c1-8(2)14(18(20)25)31-19-17(29-12(6)24)16(28-11(5)23)15(27-10(4)22)13(30-19)7-26-9(3)21/h8,13-17,19H,7H2,1-6H3,(H2,20,25)/t13-,14+,15-,16+,17-,19+/m1/s1
SMILES: CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)CCC[C@@H]3CCC[C@@H](O3)C[C@@H]4CCO[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)[C@@H](C)O
InChI: InChI=1S/C39H62O12/c1-6-7-8-9-10-16-34(42)50-37-27(23-35(43)45-5)22-31-25-32(26(2)40)49-33(41)17-12-14-28-13-11-15-29(47-28)24-30-19-21-46-36(48-30)18-20-38(3,4)39(37,44)51-31/h18,20,23,26,28-32,36-37,40,44H,6-17,19,21-22,24-25H2,1-5H3/b20-18+,27-23+/t26-,28+,29-,30+,31+,32-,36+,37+,39-/m1/s1
SMILES: CC(C)[C@@H]1[C@@H]2[C@H](CCN2C(=O)C3=NC=C(N=C3)CN4CCOCC4)N(C1=O)S(=O)(=O)C
InChI: InChI=1S/C20H29N5O5S/c1-13(2)17-18-16(25(20(17)27)31(3,28)29)4-5-24(18)19(26)15-11-21-14(10-22-15)12-23-6-8-30-9-7-23/h10-11,13,16-18H,4-9,12H2,1-3H3/t16-,17+,18-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)[C@H](O[C@@H]([C@@H]4O)CC(=O)OC)C)O)N(C)C)O
InChI: InChI=1S/C25H31NO9/c1-10-18-20(24(31)16(34-10)9-17(27)33-5)23(30)13-7-6-12(22(29)19(13)25(18)32)15-8-14(26(3)4)21(28)11(2)35-15/h6-7,10-11,14-16,21,24,28-29,31H,8-9H2,1-5H3/t10-,11-,14-,15-,16-,21-,24+/m1/s1
SMILES: C[C@H]1CC[C@]2(C[C@@H]3CC(O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)\C)OC1C
InChI: InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22?,24?,25-,26-,27+,28+,30-,31+/m0/s1
SMILES: CCOCCOC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@]2(C(=O)C(CN2)[C@@H]3[C@H]4[C@@H](C5=CC=CC=C35)NC(=O)O4)CC6=CC=CC=C6)O
InChI: InChI=1S/C36H41N3O7/c1-2-44-17-18-45-34(42)38-28(19-23-11-5-3-6-12-23)29(40)21-36(20-24-13-7-4-8-14-24)33(41)27(22-37-36)30-25-15-9-10-16-26(25)31-32(30)46-35(43)39-31/h3-16,27-32,37,40H,2,17-22H2,1H3,(H,38,42)(H,39,43)/t27?,28-,29-,30+,31+,32-,36-/m0/s1
SMILES: CC(C)[C@@H]1C[C@H]([C@@]2(CC[C@@H](C=C2C1)O)C)[Si](C)(C)C
InChI: InChI=1S/C17H32OSi/c1-12(2)13-9-14-11-15(18)7-8-17(14,3)16(10-13)19(4,5)6/h11-13,15-16,18H,7-10H2,1-6H3/t13-,15-,16+,17+/m0/s1
SMILES: C1=CC(=CC(=C1)Br)[C@@H]2[C@@](C2(C#N)C#N)(C#N)C(=N)C(C#N)C#N
InChI: InChI=1S/C16H7BrN6/c17-12-3-1-2-10(4-12)13-15(7-20,8-21)16(13,9-22)14(23)11(5-18)6-19/h1-4,11,13,23H/t13-,16-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3Cl
InChI: InChI=1S/C18H24ClN3O4S/c1-13(23)14-2-4-15(5-3-14)22-8-6-21(7-9-22)10-18(24)20-17-12-27(25,26)11-16(17)19/h2-5,16-17H,6-12H2,1H3,(H,20,24)/t16-,17-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@@H]([C@@H]([C@H]([C@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)O
InChI: InChI=1S/C34H36O6/c35-29-30(36)32(38-22-26-15-7-2-8-16-26)34(40-24-28-19-11-4-12-20-28)33(39-23-27-17-9-3-10-18-27)31(29)37-21-25-13-5-1-6-14-25/h1-20,29-36H,21-24H2/t29-,30+,31-,32-,33+,34-/m1/s1
SMILES: C[C@@H]1[C@@](N(C2=[N+]1CCCC2)C3=CC=C(C=C3)OC)(C4=CC=C(C=C4)Cl)O
InChI: InChI=1S/C21H24ClN2O2/c1-15-21(25,16-6-8-17(22)9-7-16)24(20-5-3-4-14-23(15)20)18-10-12-19(26-2)13-11-18/h6-13,15,25H,3-5,14H2,1-2H3/q+1/t15-,21+/m1/s1
SMILES: CC(=O)O[C@]12CC[C@H](C[C@H]1O[C@@H]2C3=C(C(=C(C(=C3F)F)F)F)F)C(C)(C)C
InChI: InChI=1S/C19H21F5O3/c1-8(25)27-19-6-5-9(18(2,3)4)7-10(19)26-17(19)11-12(20)14(22)16(24)15(23)13(11)21/h9-10,17H,5-7H2,1-4H3/t9-,10-,17-,19-/m1/s1
SMILES: C1CN(CCC1C2=CC=CC=C2)[C@@H]3CC4=C(C[C@H]3O)C=CC=C4NC(=O)C[18F]
InChI: InChI=1S/C23H27FN2O2/c24-15-23(28)25-20-8-4-7-18-13-22(27)21(14-19(18)20)26-11-9-17(10-12-26)16-5-2-1-3-6-16/h1-8,17,21-22,27H,9-15H2,(H,25,28)/t21-,22-/m1/s1/i24-1
SMILES: CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC5=C(C=C34)OCO5)C)O
InChI: InChI=1S/C21H28O3/c1-3-21(22)9-7-17-15-5-4-13-10-18-19(24-12-23-18)11-16(13)14(15)6-8-20(17,21)2/h10-11,14-15,17,22H,3-9,12H2,1-2H3/t14-,15+,17-,20-,21-/m0/s1
SMILES: C[C@H]1CC[C@H](NC1)[C@@H](C)[C@@]2([C@H](C[C@@H]3C2=CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)O)C
InChI: InChI=1S/C27H43NO2/c1-16-5-10-24(28-15-16)17(2)27(4)23-9-8-22-20(21(23)14-25(27)30)7-6-18-13-19(29)11-12-26(18,22)3/h6,9,16-17,19-22,24-25,28-30H,5,7-8,10-15H2,1-4H3/t16-,17+,19-,20-,21-,22-,24-,25-,26-,27-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)(CC=C)O)O
InChI: InChI=1S/C34H36N2O8/c1-5-19-33(40)28(44-31(29(33)37)36-20-22(2)30(38)35-32(36)39)21-43-34(23-9-7-6-8-10-23,24-11-15-26(41-3)16-12-24)25-13-17-27(42-4)18-14-25/h5-18,20,28-29,31,37,40H,1,19,21H2,2-4H3,(H,35,38,39)/t28-,29+,31-,33-/m1/s1
SMILES: CN(CC#CC1=CC2=C(C=C1)N(C(=O)[C@@]23[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCC8=NC9=CC=CC=C9N8)C(=O)OCCOC)CC1=CC=CC=C1
InChI: InChI=1S/C58H54N6O9/c1-62(37-39-16-6-3-7-17-39)29-15-18-38-27-28-47-44(34-38)58(56(68)63(47)57(69)72-33-32-70-2)49(54(66)59-36-48-60-45-25-12-13-26-46(45)61-48)51-55(67)73-52(41-21-10-5-11-22-41)50(40-19-8-4-9-20-40)64(51)53(58)42-23-14-24-43(35-42)71-31-30-65/h3-14,16-17,19-28,34-35,49-53,65H,29-33,36-37H2,1-2H3,(H,59,66)(H,60,61)/t49-,50-,51-,52+,53+,58-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC=CC=C7OCCO)C(=O)N(C5=O)C8=CC(=CC=C8)[N+](=O)[O-]
InChI: InChI=1S/C41H36N4O8/c1-24-14-16-26(17-15-24)42-44-38(48)33-23-32-29(18-19-31-35(32)39(49)43(37(31)47)27-10-7-11-28(22-27)45(51)52)36(30-12-5-6-13-34(30)53-21-20-46)41(33,40(44)50)25-8-3-2-4-9-25/h2-18,22,31-33,35-36,42,46H,19-21,23H2,1H3/t31-,32+,33-,35-,36+,41+/m0/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)NCC3=CC4=C(C=C3)OCO4)C(=O)NCCO
InChI: InChI=1S/C25H27IN2O8/c1-33-22-8-15(12-30)6-17(26)24(22)36-21-10-16(25(32)27-4-5-29)9-18(23(21)31)28-11-14-2-3-19-20(7-14)35-13-34-19/h2-3,6-8,10,12,18,21,23,28-29,31H,4-5,9,11,13H2,1H3,(H,27,32)/t18-,21+,23+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F
InChI: InChI=1S/C17H18BrFN2O3/c1-10-4-2-3-5-14(10)21-16(23)15(22)20(17(21)24)9-11-6-7-12(18)8-13(11)19/h6-8,10,14H,2-5,9H2,1H3/t10-,14-/m1/s1
SMILES: CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CN(C[C@H]1[C@H]2[C@@H](N(C(O2)(C)C)C(=O)OC(C)(C)C)CC(C)C)C
InChI: InChI=1S/C29H54N4O5/c1-12-13-14-30-26(35)23(19(4)5)31-25(34)21-17-32(11)16-20(21)24-22(15-18(2)3)33(29(9,10)37-24)27(36)38-28(6,7)8/h18-24H,12-17H2,1-11H3,(H,30,35)(H,31,34)/t20-,21-,22+,23+,24+/m1/s1
SMILES: C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C/C=C\CCC(=O)O)/C=N/NC(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C20H24ClN3O4/c21-13-6-8-14(9-7-13)23-20(27)24-22-12-16-15(17-10-11-18(16)28-17)4-2-1-3-5-19(25)26/h1-2,6-9,12,15-18H,3-5,10-11H2,(H,25,26)(H2,23,24,27)/b2-1-,22-12+/t15-,16+,17+,18-/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C5=C(ON=C5C)C)C)O)F)C)F
InChI: InChI=1S/C28H32F3NO6S/c1-13-8-17-18-10-20(30)19-9-16(33)6-7-25(19,4)27(18,31)21(34)11-26(17,5)28(13,24(36)39-12-29)37-23(35)22-14(2)32-38-15(22)3/h6-7,9,13,17-18,20-21,34H,8,10-12H2,1-5H3/t13-,17+,18+,20+,21+,25+,26+,27+,28+/m1/s1
SMILES: CC1=CC(=CC=C1)NC(=O)OC2=CC3=C(C=C2)N([C@@H]4[C@]3(CCN(O4)C)C)C
InChI: InChI=1S/C21H25N3O3/c1-14-6-5-7-15(12-14)22-20(25)26-16-8-9-18-17(13-16)21(2)10-11-23(3)27-19(21)24(18)4/h5-9,12-13,19H,10-11H2,1-4H3,(H,22,25)/t19-,21-/m0/s1
SMILES: C1CC2=CC(=O)C3=CC=CC=C3[C@@]24[C@@H]1CC(C4)S(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C22H20O3S/c23-21-13-16-11-10-15-12-18(26(24,25)17-6-2-1-3-7-17)14-22(15,16)20-9-5-4-8-19(20)21/h1-9,13,15,18H,10-12,14H2/t15-,18?,22-/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CCC)C(=O)OC)OCC=C
InChI: InChI=1S/C52H76N4O11/c1-5-8-9-10-11-12-13-14-15-18-29-53-50(59)66-41-27-28-46-44(35-41)48-42(22-17-20-32-58)39(21-16-19-31-57)34-43-45(54-65-37-38-23-25-40(26-24-38)56(61)62)36-47(55(30-6-2)51(60)63-4)52(67-46,49(43)48)64-33-7-3/h7,23-28,34-35,39,42,47-49,57-58H,3,5-6,8-22,29-33,36-37H2,1-2,4H3,(H,53,59)/t39-,42+,47-,48+,49+,52+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](C[C@@H](O1)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)N(C)C
InChI: InChI=1S/C25H35NO4Si/c1-19(27)29-24-23(26(5)6)17-20(30-24)18-28-31(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-24H,17-18H2,1-6H3/t20-,23+,24+/m1/s1
SMILES: CC1=CC[C@@H]2[C@@]([C@H]1COC3=CC4=C(C=C3)C=CC(=O)O4)(CC[C@@H](C2(C)C)O)C
InChI: InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20-21,25H,9,11-12,14H2,1-4H3/t18-,20-,21-,24+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)I
InChI: InChI=1S/C15H16INO2/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)11-5-3-10(16)4-6-11/h3-6,9,12-13H,2,7-8H2,1H3/t9-,12+,13-/m1/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)O[P@@](=O)(C2=CC=CC=C2)NC3=CC(=CC=C3)[N+](=O)[O-])C(C)C
InChI: InChI=1S/C22H29N2O4P/c1-16(2)21-13-12-17(3)14-22(21)28-29(27,20-10-5-4-6-11-20)23-18-8-7-9-19(15-18)24(25)26/h4-11,15-17,21-22H,12-14H2,1-3H3,(H,23,27)/t17-,21-,22+,29-/m0/s1
SMILES: CCOC(=O)C1=CC(=CC=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H24N2O7/c1-2-29-22(27)15-9-6-10-16(11-15)24-23(28)32-18-13-31-19-17(12-30-20(18)19)25-21(26)14-7-4-3-5-8-14/h3-11,17-20H,2,12-13H2,1H3,(H,24,28)(H,25,26)/t17-,18+,19+,20+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl)OC5=CC=C(C=C5)OC)COCC6=CC=CC=C6)COCC7=CC=CC=C7
InChI: InChI=1S/C47H45Cl4NO16/c1-23(53)62-41-31(22-61-20-27-13-9-6-10-14-27)67-47(43(64-25(3)55)42(41)63-24(2)54)68-40-30(21-60-19-26-11-7-5-8-12-26)66-46(65-29-17-15-28(59-4)16-18-29)38(39(40)56)52-44(57)32-33(45(52)58)35(49)37(51)36(50)34(32)48/h5-18,30-31,38-43,46-47,56H,19-22H2,1-4H3/t30-,31-,38-,39-,40-,41+,42+,43-,46-,47+/m1/s1
SMILES: CC[C@H]1C=CCC[C@]2(O1)C[C@@H]3CC[C@H]4[N+]3=C(N2)N[C@]5([C@H]4C(=O)OC/C=C/C6=CC=CC=C6)CCC[C@H](O5)C.C(=O)[O-]
InChI: InChI=1S/C31H41N3O4.CH2O2/c1-3-25-15-7-8-18-30(38-25)21-24-16-17-26-27(28(35)36-20-10-14-23-12-5-4-6-13-23)31(19-9-11-22(2)37-31)33-29(32-30)34(24)26;2-1-3/h4-7,10,12-15,22,24-27H,3,8-9,11,16-21H2,1-2H3,(H,32,33);1H,(H,2,3)/b14-10+;/t22-,24+,25+,26-,27-,30+,31-;/m1./s1
SMILES: C[C@@H](C1CCC2[C@@]1(CCC3C2C[C@H]([C@@]45[C@@]3(CC[C@@H]4C5)C)OC)C)[C@@H](CC(C)C(C)C)O
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]1CC[C@H](N([C@@H]1C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C=NO[C@@H](C)C4=CC(=NO4)C5=C(C=C(C=C5C)C)C)C(=O)OC
InChI: InChI=1S/C37H41N3O5/c1-22-8-13-29(14-9-22)35-24(3)10-17-32(37(42)43-7)40(35)36(41)30-15-11-28(12-16-30)21-38-44-27(6)33-20-31(39-45-33)34-25(4)18-23(2)19-26(34)5/h8-9,11-16,18-21,24,27,32,35H,10,17H2,1-7H3/t24-,27-,32-,35-/m0/s1
SMILES: C1[C@H]([C@@H]([C@H](O[C@@H]1OC2=CC3=C(C=C2)OC(CC3=O)C4=CC=CC=C4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C42H40O7/c43-36-24-38(33-19-11-4-12-20-33)48-37-22-21-34(23-35(36)37)47-41-25-39(45-27-31-15-7-2-8-16-31)42(46-28-32-17-9-3-10-18-32)40(49-41)29-44-26-30-13-5-1-6-14-30/h1-23,38-42H,24-29H2/t38?,39-,40-,41+,42+/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C[C@H]3C[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C22H30N2O4/c1-26-19-12-17(13-20(27-2)21(19)28-3)22(25)24-8-6-23(7-9-24)14-18-11-15-4-5-16(18)10-15/h4-5,12-13,15-16,18H,6-11,14H2,1-3H3/t15-,16+,18-/m1/s1
SMILES: CCOC1=NC(=NC2=C1N(C(=O)N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)CC=C)N
InChI: InChI=1S/C15H21N5O6/c1-3-5-19-8-11(17-14(16)18-12(8)25-4-2)20(15(19)24)13-10(23)9(22)7(6-21)26-13/h3,7,9-10,13,21-23H,1,4-6H2,2H3,(H2,16,17,18)/t7-,9-,10-,13-/m1/s1
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC[C@@H]3[C@@H](C3(C)C)C=C(C)C
InChI: InChI=1S/C21H29N3O/c1-14(2)12-17-18(21(17,4)5)13-22-19-15(3)23(6)24(20(19)25)16-10-8-7-9-11-16/h7-12,17-18,22H,13H2,1-6H3/t17-,18+/m0/s1
SMILES: CC1=CC(=CC(=C1)N2[C@H]3CS(=O)(=O)C[C@H]3N(C2=S)CC=C)C
InChI: InChI=1S/C16H20N2O2S2/c1-4-5-17-14-9-22(19,20)10-15(14)18(16(17)21)13-7-11(2)6-12(3)8-13/h4,6-8,14-15H,1,5,9-10H2,2-3H3/t14-,15+/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)[C@H]3C=C[C@]4([C@@H]3C4)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C
InChI: InChI=1S/C35H36N2O4Si/c1-25-23-36(33(40)37(31(25)38)32(39)26-14-8-5-9-15-26)30-20-21-35(22-29(30)35)24-41-42(34(2,3)4,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-21,23,29-30H,22,24H2,1-4H3/t29-,30+,35-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])[C@H](CC[N+](C)(C)C)O)C(=O)[O-])[C@@H](C)O
InChI: InChI=1S/C28H38N4O9S/c1-15-23-22(16(2)33)26(35)30(23)24(27(36)37)25(15)42-19-12-20(21(34)10-11-32(3,4)5)29(13-19)28(38)41-14-17-6-8-18(9-7-17)31(39)40/h6-9,15-16,19-23,33-34H,10-14H2,1-5H3/t15-,16-,19+,20+,21+,22-,23-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)SCCCC=C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C19H28O9S/c1-6-7-8-9-29-19-18(27-14(5)23)17(26-13(4)22)16(25-12(3)21)15(28-19)10-24-11(2)20/h6,15-19H,1,7-10H2,2-5H3/t15-,16+,17-,18-,19+/m1/s1
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]3[C@@H]2C[C@H]4C5=CC=CC=C5CCN4C3
InChI: InChI=1S/C23H28N2O3S/c1-28-19-8-10-20(11-9-19)29(26,27)25-13-4-6-18-16-24-14-12-17-5-2-3-7-21(17)23(24)15-22(18)25/h2-3,5,7-11,18,22-23H,4,6,12-16H2,1H3/t18-,22+,23+/m1/s1
SMILES: COCCN1C(=O)[C@@H]2[C@@H](N[C@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)CCC(=O)O
InChI: InChI=1S/C19H20FN3O6/c1-29-7-6-23-16(26)14-12(4-5-13(24)25)22-19(15(14)17(23)27)10-8-9(20)2-3-11(10)21-18(19)28/h2-3,8,12,14-15,22H,4-7H2,1H3,(H,21,28)(H,24,25)/t12-,14+,15-,19-/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]2O[C@H]3[C@@H]([C@](CO3)(CO)O)O)OCCC4=CC(=C(C=C4)O)O)CO)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O
InChI: InChI=1S/C34H44O19/c1-15-24(42)25(43)26(44)31(49-15)52-28-27(51-23(41)7-4-16-2-5-18(37)20(39)10-16)22(12-35)50-32(47-9-8-17-3-6-19(38)21(40)11-17)29(28)53-33-30(45)34(46,13-36)14-48-33/h2-7,10-11,15,22,24-33,35-40,42-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28-,29+,30-,31+,32+,33-,34+/m0/s1
SMILES: C1C[C@H]2C[C@H]1C[C@H]2CC(=O)NNC(=O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C16H19BrN2O2/c17-14-5-3-11(4-6-14)16(21)19-18-15(20)9-13-8-10-1-2-12(13)7-10/h3-6,10,12-13H,1-2,7-9H2,(H,18,20)(H,19,21)/t10-,12-,13-/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](C(=O)NC2=O)OCC3=CC=CC=C3
InChI: InChI=1S/C18H17NO4/c20-17-15(22-11-13-7-3-1-4-8-13)16(18(21)19-17)23-12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20,21)/t15-,16-/m1/s1
SMILES: CC1=C(C=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]4C=CC6=CC(=C(C(=C6)OC)O)OC)C)C7=CC(=NN7C)C8=C(C9=C(S8)C=CC(=C9)Cl)C)Cl
InChI: InChI=1S/C45H40Cl2N4O7S/c1-21-7-10-25(18-32(21)47)50-41(53)27-12-11-26-29(38(27)43(50)55)19-31-42(54)51(37-20-33(48-49(37)4)40-22(2)28-17-24(46)9-14-36(28)59-40)44(56)45(31,3)30(26)13-8-23-15-34(57-5)39(52)35(16-23)58-6/h7-11,13-18,20,27,29-31,38,52H,12,19H2,1-6H3/t27-,29+,30-,31-,38-,45-/m0/s1
SMILES: CC1=CC=C(C=C1)NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C23H28N2O5/c1-12(2)20(23(29)30-11-17(26)24-16-8-4-13(3)5-9-16)25-21(27)18-14-6-7-15(10-14)19(18)22(25)28/h4-5,8-9,12,14-15,18-20H,6-7,10-11H2,1-3H3,(H,24,26)/t14-,15+,18-,19+,20-/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)O)CCCCO)CCCCO)O)N5C(=CN=N5)CO
InChI: InChI=1S/C31H44N4O7/c1-30(2,3)42-33-25-16-27(35-20(18-38)17-32-34-35)31(40)29-23(25)14-19(8-4-6-12-36)22(9-5-7-13-37)28(29)24-15-21(39)10-11-26(24)41-31/h10-11,14-15,17,19,22,27-29,36-40H,4-9,12-13,16,18H2,1-3H3/t19-,22+,27-,28+,29+,31+/m0/s1