EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1(O[C@H]2[C@@H](O1)O[C@@H]([C@@]2(CO)OCC3=CC=CC=C3)COCC4=CC=CC=C4)C
InChI: InChI=1S/C23H28O6/c1-22(2)28-20-21(29-22)27-19(15-25-13-17-9-5-3-6-10-17)23(20,16-24)26-14-18-11-7-4-8-12-18/h3-12,19-21,24H,13-16H2,1-2H3/t19-,20+,21-,23-/m1/s1
SMILES: COC1([C@@H]2[C@H]3[C@H]4C(=O)C([C@H]2[C@@H]5[C@@]4([C@]3([C@@H]5C1=O)Br)Br)(OC)OC)OC
InChI: InChI=1S/C16H18Br2O6/c1-21-15(22-2)7-5-10-12(20)16(23-3,24-4)8(7)6-9(11(15)19)13(5,17)14(6,10)18/h5-10H,1-4H3/t5-,6-,7-,8+,9-,10-,13+,14-/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@H]1OCC2=CC=CC=C2)C(=O)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C19H23NO9/c1-10(21)20-14-15(27-11(2)22)16(28-12(3)23)17(18(24)25)29-19(14)26-9-13-7-5-4-6-8-13/h4-8,14-17,19H,9H2,1-3H3,(H,20,21)(H,24,25)/t14-,15+,16-,17+,19+/m0/s1
SMILES: C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O1)O2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=C(C=C4)Br)OC(=O)C5=CC=C(C=C5)Br)OC(=O)C6=CC=C(C=C6)Br)OC(=O)C7=CC=C(C=C7)Br
InChI: InChI=1S/C40H32Br4O14/c41-23-9-1-19(2-10-23)35(47)51-17-28-32(55-36(48)20-3-11-24(42)12-4-20)33(56-37(49)21-5-13-25(43)14-6-21)34(57-38(50)22-7-15-26(44)16-8-22)40(54-28)58-31-27-18-52-39(53-27)30(46)29(31)45/h1-16,27-34,39-40,45-46H,17-18H2/t27-,28-,29+,30+,31+,32-,33+,34-,39-,40+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3
InChI: InChI=1S/C18H22O3/c1-12-2-5-14(6-3-12)17(19)11-21-18(20)10-16-9-13-4-7-15(16)8-13/h2-3,5-6,13,15-16H,4,7-11H2,1H3/t13-,15-,16+/m0/s1
SMILES: COC(=O)[C@]1([C@@H]2[C@@H](CC3=C2C=C(N3CCCN4CCOCC4)C(=O)N5CCCC5)CN1C(=O)C6=CC=CC=C6)CC7=CC=CC=C7
InChI: InChI=1S/C37H44N4O5/c1-45-36(44)37(25-27-11-4-2-5-12-27)33-29(26-41(37)34(42)28-13-6-3-7-14-28)23-31-30(33)24-32(35(43)39-16-8-9-17-39)40(31)18-10-15-38-19-21-46-22-20-38/h2-7,11-14,24,29,33H,8-10,15-23,25-26H2,1H3/t29-,33+,37+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]([C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)C(=O)OC/C(=C/C2=CSC(=N2)C)/C
InChI: InChI=1S/C24H37NO5S/c1-14(11-18-13-31-17(4)25-18)12-30-23(29)19-10-8-7-9-15(2)20(26)16(3)21(27)24(5,6)22(19)28/h11,13,15-16,19-20,22,26,28H,7-10,12H2,1-6H3/b14-11+/t15-,16+,19-,20-,22-/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H](NC(=O)NC2=C)C3=C(C=CC=C3Cl)F
InChI: InChI=1S/C19H17ClFN3O3/c1-10-15(18(25)23-11-6-8-12(27-2)9-7-11)17(24-19(26)22-10)16-13(20)4-3-5-14(16)21/h3-9,15,17H,1H2,2H3,(H,23,25)(H2,22,24,26)/t15-,17-/m0/s1
SMILES: CCC(=O)N[C@H]1C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C(N=C(N=C32)Cl)NCCC(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H31ClN6O3/c1-2-22(36)32-20-15-21(25(38)24(20)37)35-16-31-23-26(33-28(29)34-27(23)35)30-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19-21,24-25,37-38H,2,13-15H2,1H3,(H,32,36)(H,30,33,34)/t20-,21+,24+,25-/m0/s1
SMILES: C[Si](C)(C)O[C@@]1(C(=O)C2=CC=CC=C2C(=O)[C@@]13C=C(C(=O)O3)I)COCC4=CC=CC=C4
InChI: InChI=1S/C24H23IO6Si/c1-32(2,3)31-24(15-29-14-16-9-5-4-6-10-16)21(27)18-12-8-7-11-17(18)20(26)23(24)13-19(25)22(28)30-23/h4-13H,14-15H2,1-3H3/t23-,24+/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O)C
InChI: InChI=1S/C17H22N2O5S2/c1-8-6-9(2)12(10(3)7-8)26(23,24)18-11-14(20)19-13(16(21)22)17(4,5)25-15(11)19/h6-7,11,13,15,18H,1-5H3,(H,21,22)/t11-,13+,15-/m1/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CCCC(=O)[O-])N2C3=CC=CC=C3F
InChI: InChI=1S/C16H17FN2O5S2/c17-10-4-1-2-5-11(10)19-12-8-26(23,24)9-13(12)25-16(19)18-14(20)6-3-7-15(21)22/h1-2,4-5,12-13H,3,6-9H2,(H,21,22)/p-1/t12-,13+/m1/s1
SMILES: C/C/1=C/C(=O)CO[C@]23C[C@H](C(=C[C@H]2O[C@@H]4C[C@H]([C@]3([C@@]45CO5)C)OC(=O)/C=C\C=C\C(=O)OCC1)C)O
InChI: InChI=1S/C27H32O9/c1-16-8-9-32-23(30)6-4-5-7-24(31)36-20-12-22-27(15-34-27)25(20,3)26(33-14-18(28)10-16)13-19(29)17(2)11-21(26)35-22/h4-7,10-11,19-22,29H,8-9,12-15H2,1-3H3/b6-4+,7-5-,16-10-/t19-,20-,21-,22-,25-,26-,27-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)N/N=C(/C)\C2=CC=C(C=C2)S(=O)(=O)C
InChI: InChI=1S/C18H27N3O2S2/c1-12-6-5-7-17(13(12)2)19-18(24)21-20-14(3)15-8-10-16(11-9-15)25(4,22)23/h8-13,17H,5-7H2,1-4H3,(H2,19,21,24)/b20-14-/t12-,13-,17+/m1/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)NCC2=CC=C(C=C2)F)C(=O)NC3=CC=CC(=C3)C(=O)OCC
InChI: InChI=1S/C26H32FN3O4/c1-3-19-17-30(26(33)29-23-7-5-6-21(14-23)25(32)34-4-2)13-12-20(19)15-24(31)28-16-18-8-10-22(27)11-9-18/h5-11,14,19-20H,3-4,12-13,15-17H2,1-2H3,(H,28,31)(H,29,33)/t19-,20-/m0/s1
SMILES: CNC(=O)[C@@H]1[C@H]([C@@H]([C@H](O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)O
InChI: InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12-,13-,17-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3CC(=O)N[C@H]3C)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C15H20N2O5S/c1-5-11-10(7(3)18)14(20)17(11)12(15(21)22)13(5)23-8-4-9(19)16-6(8)2/h5-8,10-11,18H,4H2,1-3H3,(H,16,19)(H,21,22)/t5-,6+,7-,8+,10-,11-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=C[C@H](CC[C@]34C)S)C
InChI: InChI=1S/C27H46S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,21-25,28H,6-16H2,1-5H3/t19-,21+,22-,23-,24+,25-,26+,27-/m1/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)OC)O)OC)C(=O)N(C7=O)C9=CC=C(C=C9)C1=NC2=CC=CC=C2O1)C
InChI: InChI=1S/C49H40ClN5O8S/c1-23-30-20-26(50)12-17-38(30)64-43(23)34-22-39(53(3)52-34)55-46(58)32-21-31-28(41(49(32,2)48(55)60)25-18-36(61-4)42(56)37(19-25)62-5)15-16-29-40(31)47(59)54(45(29)57)27-13-10-24(11-14-27)44-51-33-8-6-7-9-35(33)63-44/h6-15,17-20,22,29,31-32,40-41,56H,16,21H2,1-5H3/t29-,31+,32-,40-,41-,49+/m0/s1
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@H]2OCCN(C3CCCCC3)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C25H38N2O2/c1-24(2)19-14-15-25(24,3)22(18-19)29-17-16-27(21-12-8-5-9-13-21)23(28)26-20-10-6-4-7-11-20/h4,6-7,10-11,19,21-22H,5,8-9,12-18H2,1-3H3,(H,26,28)/t19-,22+,25+/m0/s1
SMILES: COC1=CC(=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)[N+](=O)[O-])O
InChI: InChI=1S/C39H28Cl2F3N5O8/c1-57-23-9-10-25(30(50)15-23)32-24-11-12-26-31(36(53)47(34(26)51)21-3-2-4-22(14-21)49(55)56)27(24)16-28-35(52)48(37(54)38(28,32)18-5-7-20(40)8-6-18)46-33-29(41)13-19(17-45-33)39(42,43)44/h2-11,13-15,17,26-28,31-32,50H,12,16H2,1H3,(H,45,46)/t26-,27+,28-,31-,32+,38+/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3C2=CC[C@]4([C@H]3C[C@H]([C@@]4(C(=O)CCl)O)O)C
InChI: InChI=1S/C21H27ClO4/c1-19-7-5-13(23)9-12(19)3-4-14-15(19)6-8-20(2)16(14)10-17(24)21(20,26)18(25)11-22/h6,9,14,16-17,24,26H,3-5,7-8,10-11H2,1-2H3/t14-,16+,17-,19+,20+,21+/m1/s1
SMILES: C[C@]12C[C@H]3C[C@@H](C(=C)C3([C@H]1C(C[C@@H]2O)(C)C)O)O
InChI: InChI=1S/C15H24O3/c1-8-10(16)5-9-6-14(4)11(17)7-13(2,3)12(14)15(8,9)18/h9-12,16-18H,1,5-7H2,2-4H3/t9-,10+,11+,12+,14-,15?/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NC[C@@H]3CCCO3
InChI: InChI=1S/C16H24N2O4/c19-14(17-10-11-4-3-9-22-11)7-8-18-15(20)12-5-1-2-6-13(12)16(18)21/h11-13H,1-10H2,(H,17,19)/t11-,12+,13+/m0/s1
SMILES: C(C[NH3+])[C@H]1[C@@H]([C@@H](C([NH2+]1)O)O)O.[Cl-].[Cl-]
InChI: InChI=1S/C6H14N2O3.2ClH/c7-2-1-3-4(9)5(10)6(11)8-3;;/h3-6,8-11H,1-2,7H2;2*1H/t3-,4-,5-,6?;;/m0../s1
SMILES: CC(=O)CCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@H]1OCC2=CC=CC=C2)OCC[Si](C)(C)C)[C@H](COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C45H56O9Si/c1-34(46)25-26-40(47)53-43-42(51-31-37-21-13-7-14-22-37)41(39(50-30-36-19-11-6-12-20-36)33-48-29-35-17-9-5-10-18-35)54-45(49-27-28-55(2,3)4)44(43)52-32-38-23-15-8-16-24-38/h5-24,39,41-45H,25-33H2,1-4H3/t39-,41+,42+,43-,44-,45-/m0/s1
SMILES: C[C@]12CCC[C@@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)[C@H]4C[NH2+]CC5=CN=CC=C5)CO3
InChI: InChI=1S/C21H28N2O3/c1-20-5-3-6-21(13-25-21)18(20)8-15-16(19(24)26-17(15)9-20)12-23-11-14-4-2-7-22-10-14/h2,4,7,10,15-18,23H,3,5-6,8-9,11-13H2,1H3/p+1/t15-,16+,17-,18-,20-,21+/m1/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C)N7C(=O)C8=CC=CC=C8C7=O
InChI: InChI=1S/C52H55NO12S/c1-3-66-52-43(53-49(56)39-26-16-17-27-40(39)50(53)57)46(44(55)41(64-52)32-58-28-35-18-8-4-9-19-35)65-51-48(62-34(2)54)47(61-31-38-24-14-7-15-25-38)45(60-30-37-22-12-6-13-23-37)42(63-51)33-59-29-36-20-10-5-11-21-36/h4-27,41-48,51-52,55H,3,28-33H2,1-2H3/t41-,42-,43-,44-,45+,46-,47+,48-,51+,52+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC(=O)[C@@H]3C2=CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C
InChI: InChI=1S/C32H50O3/c1-20(33)35-25-11-12-30(7)21-10-13-31(8)24-19-27(2,3)14-15-29(24,6)16-17-32(31,9)26(21)22(34)18-23(30)28(25,4)5/h10,23-26H,11-19H2,1-9H3/t23-,24+,25-,26-,29+,30+,31-,32+/m0/s1
SMILES: CC1=CC(=C(C=C1)O)C(CC(=O)NC2[C@H]3[C@@H]2CN(C3)CC4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H30N2O2/c1-19-12-13-26(31)23(14-19)22(21-10-6-3-7-11-21)15-27(32)29-28-24-17-30(18-25(24)28)16-20-8-4-2-5-9-20/h2-14,22,24-25,28,31H,15-18H2,1H3,(H,29,32)/t22?,24-,25+,28?
SMILES: C=CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COC(=O)CC[N+](=O)[O-])O)OC(=O)CC[N+](=O)[O-]
InChI: InChI=1S/C15H20N2O13/c1-2-9(18)29-14-13(30-11(20)4-6-17(25)26)12(21)8(28-15(14)22)7-27-10(19)3-5-16(23)24/h2,8,12-15,21-22H,1,3-7H2/t8-,12-,13+,14-,15+/m1/s1
SMILES: C[C@H]1C[C@H](O[C@@H]1CCO[Si](C)(C)C(C)(C)C)[C@@H](CO)OCC2=CC=CC=C2
InChI: InChI=1S/C22H38O4Si/c1-17-14-20(21(15-23)24-16-18-10-8-7-9-11-18)26-19(17)12-13-25-27(5,6)22(2,3)4/h7-11,17,19-21,23H,12-16H2,1-6H3/t17-,19+,20-,21+/m0/s1
SMILES: C[C@@]12C=CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O
InChI: InChI=1S/C19H22O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h3,6,11-14H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)S)CO
InChI: InChI=1S/C12H18O8S/c1-5(14)17-9-8(4-13)20-12(21)11(19-7(3)16)10(9)18-6(2)15/h8-13,21H,4H2,1-3H3/t8-,9-,10+,11-,12+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3=NC(=CS3)C4=CC=CC(=C4)C[N+]5=CC=CC=C5)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C25H23N3O4S2/c1-14-20-19(15(2)29)23(30)28(20)21(24(31)32)22(14)34-25-26-18(13-33-25)17-8-6-7-16(11-17)12-27-9-4-3-5-10-27/h3-11,13-15,19-20,29H,12H2,1-2H3/p+1/t14-,15-,19-,20-/m1/s1
SMILES: COC(=O)/C=C/[C@H]1[C@H](C(=O)N1CC2=CC=CC=C2Br)OC3=CC=CC=C3
InChI: InChI=1S/C20H18BrNO4/c1-25-18(23)12-11-17-19(26-15-8-3-2-4-9-15)20(24)22(17)13-14-7-5-6-10-16(14)21/h2-12,17,19H,13H2,1H3/b12-11+/t17-,19+/m0/s1
SMILES: CC(=O)OC[C@](C)([C@@H]1CC[C@@]2([C@@H]([C@@H]1O)[C@](CCC2=O)(C)O)C)O
InChI: InChI=1S/C17H28O6/c1-10(18)23-9-17(4,22)11-5-7-15(2)12(19)6-8-16(3,21)14(15)13(11)20/h11,13-14,20-22H,5-9H2,1-4H3/t11-,13-,14-,15+,16-,17-/m1/s1
SMILES: CN[C@H]1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)C(=O)NC
InChI: InChI=1S/C13H19N7O3/c1-15-6-5(13(23)16-2)9(21)10(22)8(6)20-4-19-7-11(14)17-3-18-12(7)20/h3-6,8-10,15,21-22H,1-2H3,(H,16,23)(H2,14,17,18)/t5-,6-,8+,9+,10-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC2=NC3=C(N=NN3C4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C22H23N5O2S/c1-15-9-5-7-13-18(15)23-20-17-12-6-8-14-19(17)27-21(24-20)22(25-26-27)30(28,29)16-10-3-2-4-11-16/h2-4,6,8,10-12,14-15,18H,5,7,9,13H2,1H3,(H,23,24)/t15-,18-/m0/s1
SMILES: C1C[C@H]2[C@@H]3[C@@H]([C@@H]3C(=O)N2C1)CSC4=CC=CC=C4
InChI: InChI=1S/C15H17NOS/c17-15-14-11(9-18-10-5-2-1-3-6-10)13(14)12-7-4-8-16(12)15/h1-3,5-6,11-14H,4,7-9H2/t11-,12-,13-,14-/m0/s1
SMILES: CC1=CC=C(C=C1)CN2CC[C@@]3(CCCC[C@@H]3[C@@H]2C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C24H31NO2/c1-18-6-8-19(9-7-18)17-25-16-15-24(26)14-4-3-5-22(24)23(25)20-10-12-21(27-2)13-11-20/h6-13,22-23,26H,3-5,14-17H2,1-2H3/t22-,23+,24-/m1/s1
SMILES: C/C/1=C\[C@@H]2[C@@H]([C@H](C/C(=C\CC1)/CO)O)C(=C)C(=O)O2
InChI: InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h5-6,12-14,16-17H,2-4,7-8H2,1H3/b9-6+,11-5+/t12-,13+,14+/m0/s1
SMILES: COC1=C[C@@]23CCC[C@@H]2[C@H]([C@]14[C@@H]3OCCO4)C(=O)OC
InChI: InChI=1S/C15H20O5/c1-17-10-8-14-5-3-4-9(14)11(12(16)18-2)15(10)13(14)19-6-7-20-15/h8-9,11,13H,3-7H2,1-2H3/t9-,11+,13-,14+,15+/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC4=CC=CC=C43)S(=O)(=O)C)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(S6)C)C
InChI: InChI=1S/C40H47NO5S2/c1-27-9-8-21-39(3)36(34-18-16-29(23-32(42)17-14-27)24-35(34)38(43)37-19-15-28(2)47-37)20-22-40(39,44)26-41(48(4,45)46)25-31-12-7-11-30-10-5-6-13-33(30)31/h5-7,9-13,15-16,18-19,24,32,36,42,44H,8,14,17,20-23,25-26H2,1-4H3/t32-,36-,39-,40+/m0/s1
SMILES: CCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C4CCCCC4)O2
InChI: InChI=1S/C18H25NO4/c1-2-10-22-17(21)14-13-8-9-18(23-13)11-19(16(20)15(14)18)12-6-4-3-5-7-12/h8-9,12-15H,2-7,10-11H2,1H3/t13-,14-,15+,18-/m1/s1
SMILES: CC(=CCC/C(=C/CO/N=C/1\C[C@H]([C@H]([C@H]2[C@@H]1CC[C@@H]3[C@H]2C(=O)N(C3=O)C4=C(C=C(C=C4)F)F)O)O)/C)C
InChI: InChI=1S/C28H34F2N2O5/c1-15(2)5-4-6-16(3)11-12-37-31-21-14-23(33)26(34)24-18(21)8-9-19-25(24)28(36)32(27(19)35)22-10-7-17(29)13-20(22)30/h5,7,10-11,13,18-19,23-26,33-34H,4,6,8-9,12,14H2,1-3H3/b16-11+,31-21+/t18-,19-,23-,24+,25-,26-/m1/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)C[C@@H]3[C@@H](O2)C[C@H]([C@@H](O3)CC4=CC[C@@H]5[C@@H](O4)CCCO5)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C27H46O7Si/c1-26(2,3)35(6,7)34-24-15-22-21(14-23-25(32-22)16-29-27(4,5)33-23)31-20(24)13-17-10-11-18-19(30-17)9-8-12-28-18/h10,18-25H,8-9,11-16H2,1-7H3/t18-,19+,20+,21-,22+,23+,24-,25-/m1/s1
SMILES: C1C[C@@H]2[C@@H](N(N=C2/C(=C/C3=CC=CO3)/C1)C(=O)CSC4=NC=NN4)C5=CC=CO5
InChI: InChI=1S/C20H19N5O3S/c26-17(11-29-20-21-12-22-23-20)25-19(16-7-3-9-28-16)15-6-1-4-13(18(15)24-25)10-14-5-2-8-27-14/h2-3,5,7-10,12,15,19H,1,4,6,11H2,(H,21,22,23)/b13-10+/t15-,19+/m0/s1
SMILES: CCOC1=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/C22H28N2O4S/c1-5-28-17-10-11-18-19(14-17)29-21(15-6-8-16(27-4)9-7-15)20(25)22(26)24(18)13-12-23(2)3/h6-11,14,20-21,25H,5,12-13H2,1-4H3/t20-,21+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC#CC#C[C@H]1[C@@H](O1)CCCCCCCC=C)OC(=O)CCC#CC#C[C@H]2[C@@H](O2)CCCCCCCC=C
InChI: InChI=1S/C58H88O8/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-27-30-39-46-56(59)62-49-51(64-58(61)48-41-34-32-38-45-55-53(66-55)43-36-29-26-15-12-9-6-3)50-63-57(60)47-40-33-31-37-44-54-52(65-54)42-35-28-25-14-11-8-5-2/h5-6,51-55H,2-4,7-30,35-36,39-43,46-50H2,1H3/t51?,52-,53-,54-,55-/m0/s1
SMILES: C1CN2C[C@@H]([C@H]([C@@H](C2[C@H]1O)O)OC(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C15H19NO5/c17-10-6-7-16-8-11(18)14(13(19)12(10)16)21-15(20)9-4-2-1-3-5-9/h1-5,10-14,17-19H,6-8H2/t10-,11-,12?,13+,14+/m0/s1
SMILES: C[C@]12CCC(=O)C([C@@H]1CC=C3[C@@H]2CC[C@@]4([C@@]3(C[C@@H]([C@H]4C(C/C=C/C(C)(C)O)C(=O)OC)O)C)C)(C)C
InChI: InChI=1S/C31H48O5/c1-27(2,35)15-9-10-19(26(34)36-8)25-22(32)18-31(7)21-11-12-23-28(3,4)24(33)14-16-29(23,5)20(21)13-17-30(25,31)6/h9,11,15,19-20,22-23,25,32,35H,10,12-14,16-18H2,1-8H3/b15-9+/t19?,20-,22-,23-,25+,29+,30-,31+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@H]2N=[N+]=[N-]
InChI: InChI=1S/C14H18N4O2S/c1-9-2-6-12(7-3-9)21(19,20)17-14-11-5-4-10(8-11)13(14)16-18-15/h2-3,6-7,10-11,13-14,17H,4-5,8H2,1H3/t10-,11+,13-,14-/m1/s1
SMILES: CN([C@@H]1CC[C@]2(CCCO2)C[C@H]1N3CCCC3)C(=O)COC4=CC=CC(=C4)C(F)(F)F
InChI: InChI=1S/C23H31F3N2O3/c1-27(21(29)16-30-18-7-4-6-17(14-18)23(24,25)26)19-8-10-22(9-5-13-31-22)15-20(19)28-11-2-3-12-28/h4,6-7,14,19-20H,2-3,5,8-13,15-16H2,1H3/t19-,20-,22-/m1/s1
SMILES: CCCC1([C@@H]([C@@H](N[C@@H]([C@H]1C)C2=CC=CC=C2)C3=CC=CC=C3)C)O
InChI: InChI=1S/C22H29NO/c1-4-15-22(24)16(2)20(18-11-7-5-8-12-18)23-21(17(22)3)19-13-9-6-10-14-19/h5-14,16-17,20-21,23-24H,4,15H2,1-3H3/t16-,17-,20-,21+,22?/m1/s1
SMILES: CC[C@]12CC(=C3C4(C1N(CC4)C[C@H]5[C@@H]2O5)C6=CC=CC=C6N3)C(=O)OC
InChI: InChI=1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/t15-,17-,19?,20+,21?/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=COC8=C(C7)C=C(C=C8)O)C(=O)N(C5=O)C9=CC=C(C=C9)C=C
InChI: InChI=1S/C44H37N3O6/c1-3-26-11-15-31(16-12-26)46-40(49)34-19-18-33-35(38(34)42(46)51)23-36-41(50)47(45-30-13-9-25(2)10-14-30)43(52)44(36,29-7-5-4-6-8-29)39(33)28-21-27-22-32(48)17-20-37(27)53-24-28/h3-18,20,22,24,34-36,38-39,45,48H,1,19,21,23H2,2H3/t34-,35+,36-,38-,39-,44+/m0/s1
SMILES: C1C[C@H]2[C@@H]3[C@H]([C@H]([NH+]2C1)C(=O)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C22H19ClN2O3/c23-14-8-10-15(11-9-14)25-21(27)17-16-7-4-12-24(16)19(18(17)22(25)28)20(26)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-19H,4,7,12H2/p+1/t16-,17+,18+,19-/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(=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)CN(C)[C@H](C)C8=CC9=CC=CC=C9C=C8
InChI: InChI=1S/C50H57N3O4/c1-32-46(30-53(3)33(2)43-20-17-39-8-4-5-9-45(39)25-43)56-48(57-47(32)41-13-11-34(31-54)12-14-41)42-18-15-40(16-19-42)44-10-6-7-35(24-44)29-51-49(55)52-50-26-36-21-37(27-50)23-38(22-36)28-50/h4-20,24-25,32-33,36-38,46-48,54H,21-23,26-31H2,1-3H3,(H2,51,52,55)/t32-,33-,36?,37?,38?,46+,47+,48+,50?/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4O)C)O
InChI: InChI=1S/C19H30O3/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/h11-14,16-17,20,22H,3-10H2,1-2H3/t11-,12-,13-,14-,16-,17+,18-,19-/m0/s1
SMILES: CCOC(=O)C1=NO[C@@]2([C@H]1CC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)/C(=N\NC(=O)OCC)/C
InChI: InChI=1S/C30H43N3O7/c1-7-37-26(35)25-24-16-23-21-10-9-19-15-20(39-18(4)34)11-13-28(19,5)22(21)12-14-29(23,6)30(24,40-33-25)17(3)31-32-27(36)38-8-2/h9,20-24H,7-8,10-16H2,1-6H3,(H,32,36)/b31-17-/t20-,21?,22?,23?,24-,28-,29-,30+/m0/s1
SMILES: CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)C
InChI: InChI=1S/C19H28N2O5/c1-5-25-19(24)17-12(3)16(13(4)20-17)18(23)26-10-15(22)21-14-9-7-6-8-11(14)2/h11,14,20H,5-10H2,1-4H3,(H,21,22)/t11-,14-/m0/s1
SMILES: CC(=O)O[C@H]1C[C@H](N([C@@H]1CO[Si](C)(C)C(C)(C)C)C(=O)OCC2=CC=CC=C2)CO
InChI: InChI=1S/C22H35NO6Si/c1-16(25)29-20-12-18(13-24)23(19(20)15-28-30(5,6)22(2,3)4)21(26)27-14-17-10-8-7-9-11-17/h7-11,18-20,24H,12-15H2,1-6H3/t18-,19+,20-/m0/s1
SMILES: CC(C)(CCCNS(=O)(=O)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=CC=CC5=C4OCO5
InChI: InChI=1S/C32H45N3O11S2/c1-32(2,14-8-15-33-47(3,38)39)20-35(48(40,41)28-12-7-11-26-29(28)45-21-44-26)18-25(36)24(17-22-9-5-4-6-10-22)34-31(37)46-27-19-43-30-23(27)13-16-42-30/h4-7,9-12,23-25,27,30,33,36H,8,13-21H2,1-3H3,(H,34,37)/t23-,24-,25+,27-,30+/m0/s1
SMILES: CCC1C(/C=C(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)O[C@@H]2[C@@H]([C@H]([C@H]([C@@H](O2)C)O[C@@H]3C[C@]([C@@H]([C@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)C
InChI: InChI=1S/C38H63NO12/c1-11-29-22(4)16-20(2)12-13-27(41)21(3)17-26(14-15-40)34(23(5)28(42)18-30(43)49-29)51-37-33(44)32(39(9)10)35(24(6)48-37)50-31-19-38(8,46)36(45)25(7)47-31/h12-13,15-16,21-26,28-29,31-37,42,44-46H,11,14,17-19H2,1-10H3/b13-12+,20-16+/t21?,22?,23?,24-,25+,26?,28?,29?,31+,32+,33+,34?,35-,36+,37+,38-/m0/s1
SMILES: COC(=O)[C@@]1(C[C@H]2CN([C@@H]1C=C2)C(=O)CCl)C3=CC4=CC=CC=C4N3
InChI: InChI=1S/C19H19ClN2O3/c1-25-18(24)19(15-8-13-4-2-3-5-14(13)21-15)9-12-6-7-16(19)22(11-12)17(23)10-20/h2-8,12,16,21H,9-11H2,1H3/t12-,16+,19-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCCC1=C2[C@@H]3C[C@H]([C@H](N2C4=CC=CC=C41)C(=O)OC)N(C=C3/C=C/C(=O)OC)CC5=CC=CC=C5
InChI: InChI=1S/C35H44N2O5Si/c1-35(2,3)43(6,7)42-20-19-27-26-15-11-12-16-29(26)37-32(27)28-21-30(33(37)34(39)41-5)36(22-24-13-9-8-10-14-24)23-25(28)17-18-31(38)40-4/h8-18,23,28,30,33H,19-22H2,1-7H3/b18-17+/t28-,30-,33+/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)C3=C(C=C(C=C3)NC(=O)C)F
InChI: InChI=1S/C19H22FN3O4/c1-11-5-3-4-8-19(11)17(26)23(18(27)22-19)10-16(25)14-7-6-13(9-15(14)20)21-12(2)24/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,21,24)(H,22,27)/t11-,19-/m0/s1
SMILES: C1COCCN1C(=O)[C@@H]2[C@@H]([C@H]2[C@@H](C#N)N[C@@H](CO)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H27N3O3/c25-15-19(26-20(16-28)17-7-3-1-4-8-17)22-21(18-9-5-2-6-10-18)23(22)24(29)27-11-13-30-14-12-27/h1-10,19-23,26,28H,11-14,16H2/t19-,20+,21-,22-,23-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3[C@](O[C@@H](CN3C2(C)C)C(C)(C)[Se]C4=CC=CC=C4)(C)C5=CC=CC=C5
InChI: InChI=1S/C30H41NO2Se/c1-21-17-18-24-25(19-21)32-27-30(6,22-13-9-7-10-14-22)33-26(20-31(27)28(24,2)3)29(4,5)34-23-15-11-8-12-16-23/h7-16,21,24-27H,17-20H2,1-6H3/t21-,24-,25-,26+,27+,30+/m1/s1
SMILES: C1C[C@H](CC=C1)[C@H]2[C@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)C(=O)O
InChI: InChI=1S/C19H21NO2/c21-19(22)13-9-10-17-16(11-13)14-7-4-8-15(14)18(20-17)12-5-2-1-3-6-12/h1-2,4,7,9-12,14-15,18,20H,3,5-6,8H2,(H,21,22)/t12-,14-,15-,18-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)[C@H](C)OC(=O)C)CN4CCC[C@H]4C(=O)OC(C)(C)C
InChI: InChI=1S/C33H44N2O8/c1-20-28(18-35-16-8-11-27(35)31(39)43-33(4,5)6)41-32(42-29(20)24-14-12-23(19-36)13-15-24)25-9-7-10-26(17-25)34-30(38)21(2)40-22(3)37/h7,9-10,12-15,17,20-21,27-29,32,36H,8,11,16,18-19H2,1-6H3,(H,34,38)/t20-,21+,27+,28+,29+,32+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4
InChI: InChI=1S/C24H24N2O5S/c27-21(25-19-12-6-7-13-20(19)32-16-8-2-1-3-9-16)15-31-22(28)14-26-23(29)17-10-4-5-11-18(17)24(26)30/h1-3,6-9,12-13,17-18H,4-5,10-11,14-15H2,(H,25,27)/t17-,18-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCN3C4=CC=CC=C4N=N3)[C@]5(C1=O)[C@@H]([C@H]6C(=O)O[C@@H]([C@@H](N6[C@@H]5C7=CC(=CC=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)N1CCN(CC1)C1=NC=CC=N1
InChI: InChI=1S/C56H51N9O9/c1-71-33-34-73-55(70)64-44-23-22-37(13-11-26-63-45-21-9-8-20-43(45)59-60-63)35-42(44)56(53(64)69)46(51(67)61-27-29-62(30-28-61)54-57-24-12-25-58-54)48-52(68)74-49(39-16-6-3-7-17-39)47(38-14-4-2-5-15-38)65(48)50(56)40-18-10-19-41(36-40)72-32-31-66/h2-10,12,14-25,35-36,46-50,66H,26-34H2,1H3/t46-,47-,48-,49+,50+,56-/m0/s1
SMILES: CCCC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@@H]1O)CO)O)O
InChI: InChI=1S/C10H19NO6/c1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)/t5-,7-,8+,9+,10-/m0/s1
SMILES: C1C[C@H]2[C@@]3(C1)[C@H](C[C@H]([C@H]3C4=CC=CC=C4)O)CO2
InChI: InChI=1S/C16H20O2/c17-13-9-12-10-18-14-7-4-8-16(12,14)15(13)11-5-2-1-3-6-11/h1-3,5-6,12-15,17H,4,7-10H2/t12-,13-,14+,15-,16-/m1/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CN=[N+]=[N-])O)O
InChI: InChI=1S/C8H14N4O5/c1-3(13)11-5-7(15)6(14)4(2-10-12-9)17-8(5)16/h4-8,14-16H,2H2,1H3,(H,11,13)/t4-,5+,6-,7-,8?/m1/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)OCC3=NOC(=C3)C4=CC=CO4
InChI: InChI=1S/C19H18N2O6/c22-17(26-11-12-10-16(27-20-12)15-6-3-9-25-15)7-8-21-18(23)13-4-1-2-5-14(13)19(21)24/h1-3,6,9-10,13-14H,4-5,7-8,11H2/t13-,14-/m1/s1
SMILES: CC(C)C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCC(=O)OC)OCC2=CC=CC=C2)OC)OC
InChI: InChI=1S/C21H32O7/c1-14(2)11-16-18(24-4)19(25-5)20(21(28-16)27-13-17(22)23-3)26-12-15-9-7-6-8-10-15/h6-10,14,16,18-21H,11-13H2,1-5H3/t16-,18-,19+,20+,21+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@H]1CC=C2NN)CCC4=CC(=CC[C@@]34C)NN
InChI: InChI=1S/C19H30N4/c1-18-9-7-13(22-20)11-12(18)3-4-14-15-5-6-17(23-21)19(15,2)10-8-16(14)18/h6-7,11,14-16,22-23H,3-5,8-10,20-21H2,1-2H3/t14-,15-,16-,18-,19+/m1/s1
SMILES: CC1=CC(=CC2=C1N[C@@H]([C@H]3[C@@H]2C=CC3)C4=CN=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H17N3O2/c1-11-8-13(21(22)23)9-16-14-5-2-6-15(14)18(20-17(11)16)12-4-3-7-19-10-12/h2-5,7-10,14-15,18,20H,6H2,1H3/t14-,15+,18+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]([C@@H]2OC1=O)N3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C15H11NO4/c17-12-7-8-5-6-11(13(8)20-12)16-14(18)9-3-1-2-4-10(9)15(16)19/h1-6,8,11,13H,7H2/t8-,11+,13+/m0/s1
SMILES: C#CC1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)O)C(=O)N
InChI: InChI=1S/C11H14N3O7PS/c1-2-5-7(10(12)17)13-4-14(5)11-9(16)8(15)6(21-11)3-20-22(18,19)23/h1,4,6,8-9,11,15-16H,3H2,(H2,12,17)(H2,18,19,23)/t6-,8-,9-,11-/m1/s1
SMILES: C[C@@H]1CC2=C([C@H](NC3=CC=CC=C3N2)C4=CC=CC=C4[N+](=O)[O-])C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C22H21N3O5/c1-12-11-16-19(21(26)18(12)22(27)30-2)20(13-7-3-6-10-17(13)25(28)29)24-15-9-5-4-8-14(15)23-16/h3-10,12,18,20,23-24H,11H2,1-2H3/t12-,18+,20-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)COC(=O)C3=CC4=C(C=C3)OCCO4
InChI: InChI=1S/C20H25NO5/c22-19(21-9-3-5-14-4-1-2-6-16(14)21)13-26-20(23)15-7-8-17-18(12-15)25-11-10-24-17/h7-8,12,14,16H,1-6,9-11,13H2/t14-,16+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](NN2C(=NN=C2S1)C)C3=CC=C(C=C3)C(=O)OC
InChI: InChI=1S/C16H18N4O4S/c1-4-24-15(22)13-12(19-20-9(2)17-18-16(20)25-13)10-5-7-11(8-6-10)14(21)23-3/h5-8,12-13,19H,4H2,1-3H3/t12-,13-/m1/s1