EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCN([C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC(=C(C=C5)C)C)OCC=C)CCCCO)CCCCO)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C48H62N2O8/c1-6-24-50(47(53)54-32-35-16-10-9-11-17-35)44-31-42(49-56-8-3)40-29-36(18-12-14-25-51)39(19-13-15-26-52)45-41-30-38(57-37-21-20-33(4)34(5)28-37)22-23-43(41)58-48(44,46(40)45)55-27-7-2/h7,9-11,16-17,20-23,28-30,36,39,44-46,51-52H,2,6,8,12-15,18-19,24-27,31-32H2,1,3-5H3/t36-,39+,44-,45+,46+,48+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C=C5)O)F)C(=O)N(C4=O)C6=CC(=C(C(=C6)[N+](=O)[O-])N(C)C)[N+](=O)[O-])C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C35H30FN5O9/c1-35-23(32(44)39(34(35)46)18-7-5-4-6-8-18)16-22-20(29(35)17-9-12-27(42)24(36)13-17)10-11-21-28(22)33(45)38(31(21)43)19-14-25(40(47)48)30(37(2)3)26(15-19)41(49)50/h4-10,12-15,21-23,28-29,42H,11,16H2,1-3H3/t21-,22+,23-,28-,29-,35+/m0/s1
SMILES: C1=C(N(N=N1)C[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O)CCCCO
InChI: InChI=1S/C12H22N4O4/c17-4-2-1-3-8-5-13-15-16(8)6-9-11(19)12(20)10(7-18)14-9/h5,9-12,14,17-20H,1-4,6-7H2/t9-,10-,11-,12-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C3=C(C[C@@H](O2)C(=O)C)C(=O)C=CC3=O)NC(=O)C(F)(F)F)OC4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C25H23F3N2O10/c1-11(31)19-9-15-17(32)7-8-18(33)21(15)23(39-19)40-20-10-16(29-24(34)25(26,27)28)22(12(2)37-20)38-14-5-3-13(4-6-14)30(35)36/h3-8,12,16,19-20,22-23H,9-10H2,1-2H3,(H,29,34)/t12-,16-,19+,20-,22+,23-/m0/s1
SMILES: CCCC(=O)N(CC1=CC=C(C=C1)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C28H33ClN2O7/c1-3-4-23(34)31(14-16-5-7-18(29)8-6-16)21-13-20(28(36)30-9-10-32)24-19-11-17(15-33)12-22(37-2)26(19)38-27(24)25(21)35/h5-8,11-13,21,24-25,27,32-33,35H,3-4,9-10,14-15H2,1-2H3,(H,30,36)/t21-,24+,25+,27+/m1/s1
SMILES: CCCCC/C=C\CC\1=C[C@H]([C@H](/C1=C\C=C\[C@@H](CCC(=O)OC)OC(=O)C)O)OC(=O)C
InChI: InChI=1S/C25H36O7/c1-5-6-7-8-9-10-12-20-17-23(32-19(3)27)25(29)22(20)14-11-13-21(31-18(2)26)15-16-24(28)30-4/h9-11,13-14,17,21,23,25,29H,5-8,12,15-16H2,1-4H3/b10-9-,13-11+,22-14-/t21-,23+,25-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C23H32N4O2S/c1-6-14-27-21(18-10-12-19(29-5)13-11-18)25-26-23(27)30-17(4)22(28)24-20-9-7-8-15(2)16(20)3/h6,10-13,15-17,20H,1,7-9,14H2,2-5H3,(H,24,28)/t15-,16+,17+,20+/m0/s1
SMILES: CC(C)NC[C@H](COC1=CC=CC=C1[C@H]2C[C@@H]3CC[C@H]2C3)O
InChI: InChI=1S/C19H29NO2/c1-13(2)20-11-16(21)12-22-19-6-4-3-5-17(19)18-10-14-7-8-15(18)9-14/h3-6,13-16,18,20-21H,7-12H2,1-2H3/t14-,15+,16-,18+/m1/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)C(C4)(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C30H29NO3/c1-31-16-15-29-22-18-30(20-9-5-3-6-10-20,21-11-7-4-8-12-21)27(32)28(29)34-26-24(33-2)14-13-19(25(26)29)17-23(22)31/h3-14,22-23,28H,15-18H2,1-2H3/t22-,23+,28-,29-/m0/s1
SMILES: CCOC1(C[C@@H]([C@H]([C@@H](O1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC
InChI: InChI=1S/C24H32O5/c1-4-27-24(28-5-2)16-22(25-17-20-12-8-6-9-13-20)23(19(3)29-24)26-18-21-14-10-7-11-15-21/h6-15,19,22-23H,4-5,16-18H2,1-3H3/t19-,22-,23-/m0/s1
SMILES: CCN1C=C(C(=N1)C)/C=C\2/C[C@@H]3[C@H]4CC=C5C[C@@H](CC[C@@]5([C@@H]4CC[C@@]3(C2=O)C)C)O
InChI: InChI=1S/C26H36N2O2/c1-5-28-15-18(16(2)27-28)12-17-13-23-21-7-6-19-14-20(29)8-10-25(19,3)22(21)9-11-26(23,4)24(17)30/h6,12,15,20-23,29H,5,7-11,13-14H2,1-4H3/b17-12-/t20-,21+,22-,23-,25+,26+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)O
InChI: InChI=1S/C24H23N5O12P2/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(39-23)10-38-43(36,37)41-42(33,34)35)40-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=CC=C5O)C(=O)N(C4=O)C6=CC=CC=C6
InChI: InChI=1S/C29H23NO5/c1-15-13-23(32)26-21(27(15)33)14-20-17(24(26)18-9-5-6-10-22(18)31)11-12-19-25(20)29(35)30(28(19)34)16-7-3-2-4-8-16/h2-11,13,19-20,24-25,31H,12,14H2,1H3/t19-,20+,24+,25-/m0/s1
SMILES: CCOC([C@]1([C@@H]([C@H](C(=C(N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)Cl)C(=O)OCC)O)OCC
InChI: InChI=1S/C24H31ClN2O7/c1-5-31-22(29)20-19(16-10-8-11-17(25)14-16)18(21(28)34-13-9-12-26)15(4)27-24(20,30)23(32-6-2)33-7-3/h8,10-11,14,19-20,23,27,30H,5-7,9,13H2,1-4H3/t19-,20-,24-/m0/s1
SMILES: COC1=CC(=CC2=C1[C@H]([C@H](CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5)O
InChI: InChI=1S/C29H33NO3/c1-32-27-20-24(31)19-23-11-14-26(21-7-3-2-4-8-21)28(29(23)27)22-9-12-25(13-10-22)33-18-17-30-15-5-6-16-30/h2-4,7-10,12-13,19-20,26,28,31H,5-6,11,14-18H2,1H3/t26-,28+/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)CNC(=O)C)CSC4=NN=C(S4)C
InChI: InChI=1S/C25H29N3O4S2/c1-15-22(14-33-25-28-27-17(3)34-25)31-24(21-10-4-18(5-11-21)12-26-16(2)30)32-23(15)20-8-6-19(13-29)7-9-20/h4-11,15,22-24,29H,12-14H2,1-3H3,(H,26,30)/t15-,22+,23+,24+/m1/s1
SMILES: COC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)O
InChI: InChI=1S/C27H32O14/c1-36-12-4-2-11(3-5-12)25-22(33)18(29)14-7-6-13(8-16(14)40-25)39-27-24(35)21(32)20(31)17(41-27)10-38-26-23(34)19(30)15(28)9-37-26/h2-8,15,17,19-28,30-35H,9-10H2,1H3/t15-,17-,19+,20-,21+,22?,23-,24-,25?,26+,27-/m1/s1
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(OC([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C3=CSC(=N3)N)CCC(=C)[C@H]([C@H](C)CC4=CC=CC=C4)OC(=O)C)O
InChI: InChI=1S/C37H48N2O12S/c1-7-20(2)17-21(3)13-14-27(41)49-31-29(42)35(16-15-22(4)28(48-24(6)40)23(5)18-25-11-9-8-10-12-25)50-30(26-19-52-34(38)39-26)36(47,32(43)44)37(31,51-35)33(45)46/h8-14,19-21,23,28-31,42,47H,4,7,15-18H2,1-3,5-6H3,(H2,38,39)(H,43,44)(H,45,46)/b14-13+/t20-,21+,23+,28+,29+,30?,31+,35-,36+,37-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)I)C(=O)N(C3=O)C7=CC=C(C=C7)I
InChI: InChI=1S/C34H28I2N2O5/c1-16-13-18(14-17(2)30(16)39)27-23-11-12-24-28(33(42)37(31(24)40)21-7-3-19(35)4-8-21)25(23)15-26-29(27)34(43)38(32(26)41)22-9-5-20(36)6-10-22/h3-11,13-14,24-29,39H,12,15H2,1-2H3/t24-,25+,26+,27-,28-,29+/m0/s1
SMILES: C[C@H]1[C@@H](C(=O)O[C@H]2[C@@H]([C@@H]([C@]3([C@@H]([C@@H]([C@@H]4[C@H]([C@@]3([C@@]2(C)O)O[C@]4(COC(=O)C5=C1N=CC=C5)C)O)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-26(50-19(5)40)30(52-21(7)42)35(14-47-17(3)38)29(51-20(6)41)25(49-18(4)39)23-27(43)36(35,34(28,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,25-30,43,46H,13-14H2,1-9H3/t15-,16-,23+,25+,26-,27+,28-,29+,30-,33-,34-,35+,36-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3=NC(=CS3)C4=CC=C(S4)C[N+](C)(C)CCO)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C22H27N3O5S3/c1-11-17-16(12(2)27)20(28)24(17)18(21(29)30)19(11)33-22-23-14(10-31-22)15-6-5-13(32-15)9-25(3,4)7-8-26/h5-6,10-12,16-17,26-27H,7-9H2,1-4H3/p+1/t11-,12-,16-,17-/m1/s1
SMILES: C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)O[C@@H]3[C@@H]([C@H]([C@@H](O3)[C@@H](COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C48H41O13P/c49-44(36-23-11-3-12-24-36)54-33-40(57-45(50)37-25-13-4-14-26-37)41-42(58-46(51)38-27-15-5-16-28-38)43(59-47(52)39-29-17-6-18-30-39)48(60-41)61-62(53,55-31-34-19-7-1-8-20-34)56-32-35-21-9-2-10-22-35/h1-30,40-43,48H,31-33H2/t40-,41+,42+,43-,48-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C18H17N3O4S/c19-26(24,25)11-8-9-16-15(10-11)12-5-3-6-13(12)18(20-16)14-4-1-2-7-17(14)21(22)23/h1-5,7-10,12-13,18,20H,6H2,(H2,19,24,25)/t12-,13+,18+/m0/s1
SMILES: CCCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)Br
InChI: InChI=1S/C28H22BrNO4/c1-2-15-34-27(33)16-11-13-17(14-12-16)30-25(31)23-22-18-7-3-5-9-20(18)28(29,24(23)26(30)32)21-10-6-4-8-19(21)22/h3-14,22-24H,2,15H2,1H3/t22?,23-,24-,28?/m0/s1
SMILES: C[C@@]1(CC[C@@H]2CC[C@@]3(OC[C@@]2(C1)OO3)C)C4=CC=CC=C4
InChI: InChI=1S/C18H24O3/c1-16(14-6-4-3-5-7-14)10-8-15-9-11-17(2)19-13-18(15,12-16)21-20-17/h3-7,15H,8-13H2,1-2H3/t15-,16+,17-,18-/m1/s1
SMILES: CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)[C@@H]4CC=CC[C@H]4C(=O)O
InChI: InChI=1S/C25H29N3O3/c1-18-5-4-6-21(17-18)28-15-13-27(14-16-28)20-11-9-19(10-12-20)26-24(29)22-7-2-3-8-23(22)25(30)31/h2-6,9-12,17,22-23H,7-8,13-16H2,1H3,(H,26,29)(H,30,31)/t22-,23-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@]3(CC[C@@]2(C[C@H]3C14OCCO4)C(C)(C)O)C
InChI: InChI=1S/C16H26O3/c1-10-12-14(4)5-6-15(12,13(2,3)17)9-11(14)16(10)18-7-8-19-16/h10-12,17H,5-9H2,1-4H3/t10-,11+,12+,14-,15-/m0/s1
SMILES: CO[C@@H]1[C@H]([C@@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O)N4C[C@H]([C@@H](C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C30H33NO5/c1-33-30-26(27(32)28-25(35-30)19-34-29(36-28)22-15-9-4-10-16-22)31-17-23(20-11-5-2-6-12-20)24(18-31)21-13-7-3-8-14-21/h2-16,23-30,32H,17-19H2,1H3/t23-,24-,25+,26-,27-,28+,29+,30-/m0/s1
SMILES: C1[C@H]([C@H]([C@H]([NH2+]1)[C@@H](CO)[NH3+])O)O.[Cl-].[Cl-]
InChI: InChI=1S/C6H14N2O3.2ClH/c7-3(2-9)5-6(11)4(10)1-8-5;;/h3-6,8-11H,1-2,7H2;2*1H/t3-,4-,5-,6-;;/m1../s1
SMILES: C1CN(CCN1[C@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C5=CC=CC=C5)C(=O)C6=CC=CO6
InChI: InChI=1S/C27H25N3O4S/c31-27(23-13-6-18-34-23)30-16-14-29(15-17-30)26-22-12-5-8-19-7-4-11-21(24(19)22)25(26)28-35(32,33)20-9-2-1-3-10-20/h1-13,18,25-26,28H,14-17H2/t25-,26-/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Br)O)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC=CC(=C6)C(=O)O
InChI: InChI=1S/C28H20Br2Cl2N2O7/c29-11-33-25(40)27(31)10-18-15(21(28(27,32)26(33)41)17-9-13(30)4-7-19(17)35)5-6-16-20(18)23(37)34(22(16)36)14-3-1-2-12(8-14)24(38)39/h1-5,7-9,16,18,20-21,35H,6,10-11H2,(H,38,39)/t16-,18+,20-,21+,27+,28-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2C[C@H]3[C@@H]4CCC5=C([C@H]4CC[C@@]3([C@H](C2)NC6=CC(=CC=C6)Br)C)C=CC(=C5)OC
InChI: InChI=1S/C33H38BrNO4S/c1-21-7-11-27(12-8-21)40(36,37)39-26-19-31-30-13-9-22-17-25(38-3)10-14-28(22)29(30)15-16-33(31,2)32(20-26)35-24-6-4-5-23(34)18-24/h4-8,10-12,14,17-18,26,29-32,35H,9,13,15-16,19-20H2,1-3H3/t26-,29+,30+,31-,32-,33-/m0/s1
SMILES: CCCCCCCCCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O
InChI: InChI=1S/C21H43NO10/c1-2-3-4-5-6-7-8-9-22-10-13(25)16(27)20(14(26)11-23)32-21-19(30)18(29)17(28)15(12-24)31-21/h13-30H,2-12H2,1H3/t13-,14+,15+,16+,17-,18-,19+,20+,21-/m0/s1
SMILES: CC1(CC(=O)[C@H]2[C@H](NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=C1)C5=CC=C(C=C5)SC)C
InChI: InChI=1S/C29H28N2O2S/c1-29(2)16-24-26(25(32)17-29)27(18-9-12-21(34-3)13-10-18)31-22-14-11-20(15-23(22)30-24)28(33)19-7-5-4-6-8-19/h4-16,26-27,30-31H,17H2,1-3H3/t26-,27+/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@@]3(CCC[C@]([C@H]3CC2)(C)CNCC4=CC(=C(C(=C4)OC)OC)OC)C
InChI: InChI=1S/C30H43NO3/c1-20(2)22-9-11-24-23(17-22)10-12-27-29(3,13-8-14-30(24,27)4)19-31-18-21-15-25(32-5)28(34-7)26(16-21)33-6/h9,11,15-17,20,27,31H,8,10,12-14,18-19H2,1-7H3/t27-,29-,30+/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CCC(=C2CS(=O)C3=CC=CC=C3)C=O)(C)C
InChI: InChI=1S/C21H28O2S/c1-20(2)12-7-13-21(3)18(16(14-22)10-11-19(20)21)15-24(23)17-8-5-4-6-9-17/h4-6,8-9,14,19H,7,10-13,15H2,1-3H3/t19-,21+,24?/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)CCCC(=O)O)CN(C)C[C@H](C5=CC(=CC=C5)O)O
InChI: InChI=1S/C40H46N2O8/c1-26-36(24-42(2)23-35(45)33-8-4-9-34(44)21-33)49-40(50-39(26)30-14-12-27(25-43)13-15-30)31-18-16-29(17-19-31)32-7-3-6-28(20-32)22-41-37(46)10-5-11-38(47)48/h3-4,6-9,12-21,26,35-36,39-40,43-45H,5,10-11,22-25H2,1-2H3,(H,41,46)(H,47,48)/t26-,35-,36+,39+,40+/m1/s1
SMILES: C[C@H](CCS(=N)(=O)C1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2(CCCC3=O)C
InChI: InChI=1S/C20H29NO2S/c1-15(12-14-24(21,23)16-7-4-3-5-8-16)17-10-11-18-19(22)9-6-13-20(17,18)2/h3-5,7-8,15,17-18,21H,6,9-14H2,1-2H3/t15-,17-,18+,20-,24?/m1/s1
SMILES: C1CN2CC3=CC4=C(C=C3[C@@]15[C@@H]2C[C@H](C=C5)O)OCO4
InChI: InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15-,16-/m0/s1
SMILES: CC(C)[C@H](C(=O)O)N1CC2=C3C(=C(C=C2C1=O)O)C[C@H]([C@@](O3)(C)CC/C=C(\C)/CCC=C(C)C)O
InChI: InChI=1S/C28H39NO6/c1-16(2)9-7-10-18(5)11-8-12-28(6)23(31)14-20-22(30)13-19-21(25(20)35-28)15-29(26(19)32)24(17(3)4)27(33)34/h9,11,13,17,23-24,30-31H,7-8,10,12,14-15H2,1-6H3,(H,33,34)/b18-11+/t23-,24-,28-/m1/s1
SMILES: CC1=NC(=C2C(=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7)NC
InChI: InChI=1S/C40H43N5O9P2/c1-30-43-39(41-2)38-40(44-30)45(29-42-38)37-23-35(54-56(47,50-26-33-19-11-5-12-20-33)51-27-34-21-13-6-14-22-34)36(53-37)28-52-55(46,48-24-31-15-7-3-8-16-31)49-25-32-17-9-4-10-18-32/h3-22,29,35-37H,23-28H2,1-2H3,(H,41,43,44)/t35-,36+,37+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@H]2[C@H]([C@@H]([C@@H](O2)N3C(=O)NC(=CN3)N)O)O
InChI: InChI=1S/C15H18N4O6/c16-10-6-17-19(15(23)18-10)13-12(21)11(20)9(25-13)7-24-14(22)8-4-2-1-3-5-8/h1-6,9,11-13,17,20-21H,7,16H2,(H,18,23)/t9-,11+,12-,13+/m0/s1
SMILES: COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CC[C@]4(CCCC[C@@H]4[C@@H]3C5=CC6=C(C=C5)OCO6)O
InChI: InChI=1S/C28H34N2O6S/c1-34-27(32)24-18-6-2-3-8-22(18)37-26(24)29-23(31)15-30-13-12-28(33)11-5-4-7-19(28)25(30)17-9-10-20-21(14-17)36-16-35-20/h9-10,14,19,25,33H,2-8,11-13,15-16H2,1H3,(H,29,31)/t19-,25+,28+/m1/s1
SMILES: CC(C)C[C@H](C(=O)N)NC(=O)C1=C[C@H]([C@@H]([C@@H](C1)O)O)OC2=C(C=C(C=C2)C#N)Br
InChI: InChI=1S/C20H24BrN3O5/c1-10(2)5-14(19(23)27)24-20(28)12-7-15(25)18(26)17(8-12)29-16-4-3-11(9-22)6-13(16)21/h3-4,6,8,10,14-15,17-18,25-26H,5,7H2,1-2H3,(H2,23,27)(H,24,28)/t14-,15-,17-,18-/m1/s1
SMILES: CC1([C@@H]2C=C[C@](C1=O)([C@@H]3[C@H]2C(=O)C=C3)OC)C
InChI: InChI=1S/C14H16O3/c1-13(2)8-6-7-14(17-3,12(13)16)9-4-5-10(15)11(8)9/h4-9,11H,1-3H3/t8-,9+,11+,14-/m1/s1
SMILES: CC(=O)NCSC[C@@H](C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-])N
InChI: InChI=1S/C12H20N4O7S/c1-6(17)14-5-24-4-7(13)12(18)15-8-2-21-11-9(23-16(19)20)3-22-10(8)11/h7-11H,2-5,13H2,1H3,(H,14,17)(H,15,18)/t7-,8-,9-,10+,11+/m0/s1
SMILES: CN(C)[C@H]1[C@H]2CC[C@@H]([C@@H]1C3=CC=CC=C3)C[C@@H]2OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H27NO2/c1-24(2)22-19-14-13-18(21(22)16-9-5-3-6-10-16)15-20(19)26-23(25)17-11-7-4-8-12-17/h3-12,18-22H,13-15H2,1-2H3/t18-,19+,20+,21+,22+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C)CCO)O)C(=C5)C(=O)C6CCCCC6)O)C
InChI: InChI=1S/C32H49NO4/c1-28-12-9-23(35)19-30(28)15-16-32(24(20-30)27(36)22-7-5-4-6-8-22)25(28)10-13-29(2)26(32)11-14-31(29,37)21-33(3)17-18-34/h15-16,20,22-23,25-26,34-35,37H,4-14,17-19,21H2,1-3H3/t23?,25-,26-,28-,29+,30+,31-,32-/m1/s1
SMILES: C[C@@H]1C[C@@H](CC([C@]1(/C=C/[C@@H](C)OC(=O)C)O)(C)C)OC(=O)C
InChI: InChI=1S/C17H28O5/c1-11-9-15(22-14(4)19)10-16(5,6)17(11,20)8-7-12(2)21-13(3)18/h7-8,11-12,15,20H,9-10H2,1-6H3/b8-7+/t11-,12-,15+,17-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CC2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C21H28N2O/c1-16-7-3-6-10-20(16)22-21(24)15-23(2)14-17-11-12-18-8-4-5-9-19(18)13-17/h4-5,8-9,11-13,16,20H,3,6-7,10,14-15H2,1-2H3,(H,22,24)/t16-,20+/m1/s1
SMILES: C1=CC=C2[C@@H]3[C@@H]4[C@H]([C@H](N3N=CC2=C1)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C26H17Cl2N3O3/c27-16-7-5-14(6-8-16)24(32)23-21-20(22-19-4-2-1-3-15(19)13-29-31(22)23)25(33)30(26(21)34)18-11-9-17(28)10-12-18/h1-13,20-23H/t20-,21+,22+,23-/m0/s1
SMILES: CC[C@@]1([C@H]2[C@@H]([C@@H](N1)C3=CC(=CC=C3)F)C(=O)N(C2=O)CC)C(=O)OCC
InChI: InChI=1S/C19H23FN2O4/c1-4-19(18(25)26-6-3)14-13(16(23)22(5-2)17(14)24)15(21-19)11-8-7-9-12(20)10-11/h7-10,13-15,21H,4-6H2,1-3H3/t13-,14-,15-,19+/m0/s1
SMILES: CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1[C@H](C(=NO1)C2=CC=C(C=C2)C(=N)N)O)C(=O)O
InChI: InChI=1S/C20H27N5O7/c1-2-3-8-31-20(30)24-13(19(28)29)10-23-15(26)9-14-17(27)16(25-32-14)11-4-6-12(7-5-11)18(21)22/h4-7,13-14,17,27H,2-3,8-10H2,1H3,(H3,21,22)(H,23,26)(H,24,30)(H,28,29)/t13-,14-,17+/m0/s1
SMILES: CCC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4[C@@H]5C[C@H]([C@H]4C3=O)C=C5
InChI: InChI=1S/C24H22N2O3/c1-2-14-6-3-4-9-19(14)25-22(27)17-7-5-8-18(13-17)26-23(28)20-15-10-11-16(12-15)21(20)24(26)29/h3-11,13,15-16,20-21H,2,12H2,1H3,(H,25,27)/t15-,16+,20-,21+
SMILES: CCCC[Sn](CCCC)(CCCC)/C=C/[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C(N=CN=C43)NC5CC5)OC(O2)(C)C
InChI: InChI=1S/C17H20N5O3.3C4H9.Sn/c1-4-10-12-13(25-17(2,3)24-12)16(23-10)22-8-20-11-14(21-9-5-6-9)18-7-19-15(11)22;3*1-3-4-2;/h1,4,7-10,12-13,16H,5-6H2,2-3H3,(H,18,19,21);3*1,3-4H2,2H3;/t10-,12-,13-,16-;;;;/m1..../s1
SMILES: CC1=C(C(=C(C2=C1O[C@]3([C@@]2(C(=C(C(=O)C3)C(=O)C)O)C)OC)O)C(=O)C)O
InChI: InChI=1S/C19H20O8/c1-7-14(23)12(9(3)21)15(24)13-16(7)27-19(26-5)6-10(22)11(8(2)20)17(25)18(13,19)4/h23-25H,6H2,1-5H3/t18-,19+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@@H](C(=O)N(C1=O)C3=CC=C(C=C3)OC)C(=O)OC4=CC=CC=C24
InChI: InChI=1S/C20H17NO5/c1-11-16-14-5-3-4-6-15(14)26-20(24)17(16)19(23)21(18(11)22)12-7-9-13(25-2)10-8-12/h3-11,16-17H,1-2H3/t11-,16-,17-/m0/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)CO)C
InChI: InChI=1S/C27H42O5/c1-17(5-10-25(30)31-4)22-8-9-23-21-7-6-19-15-20(32-18(2)29)11-14-27(19,16-28)24(21)12-13-26(22,23)3/h6-7,17,19-24,28H,5,8-16H2,1-4H3/t17-,19-,20-,21+,22-,23+,24+,26-,27-/m1/s1
SMILES: CCOC1=CC=CC=C1N2C(=O)[C@@H]3[C@@H](C2=O)C45CCCCC4=CC3[C@@H]6[C@@H]5C(=O)N(C6=O)C7=CC=CC=C7OCC
InChI: InChI=1S/C32H32N2O6/c1-3-39-22-14-7-5-12-20(22)33-28(35)24-19-17-18-11-9-10-16-32(18,26(24)30(33)37)27-25(19)29(36)34(31(27)38)21-13-6-8-15-23(21)40-4-2/h5-8,12-15,17,19,24-27H,3-4,9-11,16H2,1-2H3/t19?,24-,25+,26-,27+,32?
SMILES: CCCCCCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)CO)OC)C(=O)NCCO)C(=O)C(=O)CC
InChI: InChI=1S/C27H39IN2O8/c1-4-6-7-8-10-30(27(36)21(33)5-2)20-14-18(26(35)29-9-11-31)15-22(24(20)34)38-25-19(28)12-17(16-32)13-23(25)37-3/h12-13,15,20,22,24,31-32,34H,4-11,14,16H2,1-3H3,(H,29,35)/t20-,22+,24+/m1/s1
SMILES: C1=CC=C2C(=C1)C3[C@H]4[C@@H](C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)C6=CC=C(C=C6)CC7=CC=NC=C7
InChI: InChI=1S/C30H21BrN2O2/c31-30-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)30)26-27(30)29(35)33(28(26)34)20-11-9-18(10-12-20)17-19-13-15-32-16-14-19/h1-16,25-27H,17H2/t25?,26-,27+,30?/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)C(=O)OC)C5=CC(=CC=C5)O
InChI: InChI=1S/C25H21NO7/c1-11-8-18(28)17-10-16-14(19(21(17)22(11)29)12-4-3-5-13(27)9-12)6-7-15-20(16)24(31)26(23(15)30)25(32)33-2/h3-6,8-9,15-16,19-20,27H,7,10H2,1-2H3/t15-,16+,19-,20-/m0/s1
SMILES: C1CCN(CC1)CCCOCC2[C@H]3[C@@H]2CN(C3)CC4=CC(=CC(=C4)Cl)Cl
InChI: InChI=1S/C21H30Cl2N2O/c22-17-9-16(10-18(23)11-17)12-25-13-19-20(14-25)21(19)15-26-8-4-7-24-5-2-1-3-6-24/h9-11,19-21H,1-8,12-15H2/t19-,20+,21?
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)C4=NC5=CC=CC=C5N=C4)CSC6=CC=CC=N6
InChI: InChI=1S/C33H30N4O4S/c1-21-29(20-42-30-11-4-5-16-34-30)40-33(41-31(21)23-14-12-22(19-38)13-15-23)24-7-6-8-25(17-24)36-32(39)28-18-35-26-9-2-3-10-27(26)37-28/h2-18,21,29,31,33,38H,19-20H2,1H3,(H,36,39)/t21-,29+,31+,33+/m1/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@@H](C2=O)N=[N+]=[N-])C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H13N5O3/c1-10-2-6-12(7-3-10)20-15(14(16(20)22)18-19-17)11-4-8-13(9-5-11)21(23)24/h2-9,14-15H,1H3/t14-,15+/m0/s1
SMILES: CCCCCC[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@@H]([C@]3(O2)O1)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C22H42O4Si/c1-7-8-9-10-11-18-19-14-12-16-17(23)13-15-20(22(16,24-18)25-19)26-27(5,6)21(2,3)4/h16-20,23H,7-15H2,1-6H3/t16-,17+,18+,19+,20+,22+/m1/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CCC4=O)C)O
InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15+,16-,18-,19-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OCCO)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C36H32O11/c37-21-22-42-36-31(47-35(41)27-19-11-4-12-20-27)30(46-34(40)26-17-9-3-10-18-26)29(45-33(39)25-15-7-2-8-16-25)28(44-36)23-43-32(38)24-13-5-1-6-14-24/h1-20,28-31,36-37H,21-23H2/t28-,29+,30+,31-,36-/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]1C(=O)C2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C20H20O3/c1-14-17(19(14)20(22)16-10-6-3-7-11-16)12-18(21)23-13-15-8-4-2-5-9-15/h2-11,14,17,19H,12-13H2,1H3/t14-,17+,19-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\[C@H]([C@]34C[C@H]3CCC4=C)OC5SC6=CC=CC=C6S5)C
InChI: InChI=1S/C34H48OS2/c1-22(2)10-8-11-23(3)27-17-18-28-25(12-9-19-33(27,28)5)20-31(34-21-26(34)16-15-24(34)4)35-32-36-29-13-6-7-14-30(29)37-32/h6-7,13-14,20,22-23,26-28,31-32H,4,8-12,15-19,21H2,1-3,5H3/b25-20+/t23-,26-,27-,28+,31-,33-,34+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=CC=CC=C7O)C8=CC=C(C=C8)OC)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C47H40Cl2N6O6/c1-53(2)30-15-11-28(12-16-30)50-51-29-13-17-31(18-14-29)54-43(57)35-22-21-33-36(41(35)45(54)59)25-37-44(58)55(52-39-23-10-27(48)24-38(39)49)46(60)47(37,26-8-19-32(61-3)20-9-26)42(33)34-6-4-5-7-40(34)56/h4-21,23-24,35-37,41-42,52,56H,22,25H2,1-3H3/t35-,36+,37-,41-,42+,47+/m0/s1
SMILES: COC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)N3CCC[C@@H]4[C@H]3CCCC4)OC
InChI: InChI=1S/C21H27N3O4S/c1-26-16-10-15(11-17(12-16)27-2)20-22-23-21(28-20)29-13-19(25)24-9-5-7-14-6-3-4-8-18(14)24/h10-12,14,18H,3-9,13H2,1-2H3/t14-,18-/m1/s1
SMILES: COC1([C@]2([C@](C23CCC(CC3)C4=CC=CC=C4)(C(=[NH+]1)N)C#N)C#N)OC
InChI: InChI=1S/C20H22N4O2/c1-25-20(26-2)19(13-22)17(18(19,12-21)16(23)24-20)10-8-15(9-11-17)14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H2,23,24)/p+1/t15?,17?,18-,19+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N3CC[C@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C23H33N3O2/c1-18(27)19-6-8-22(9-7-19)25-14-12-24(13-15-25)17-23(28)26-11-10-20-4-2-3-5-21(20)16-26/h6-9,20-21H,2-5,10-17H2,1H3/p+1/t20-,21-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)N[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)O)(C)O
InChI: InChI=1S/C30H56N2O10/c1-12-21-30(8,38)24(35)19(6)26(36)31-15(2)14-29(7,39-11)25(17(4)22(33)18(5)27(37)41-21)42-28-23(34)20(32(9)10)13-16(3)40-28/h15-25,28,33-35,38H,12-14H2,1-11H3,(H,31,36)/t15-,16-,17+,18-,19-,20-,21-,22+,23-,24-,25-,28+,29-,30-/m1/s1
SMILES: C[C@H](C[C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C)O)C(C)C
InChI: InChI=1S/C28H46O3/c1-16(2)17(3)13-24(30)18(4)21-7-8-22-26-23(10-12-28(21,22)6)27(5)11-9-20(29)14-19(27)15-25(26)31/h15-18,20-24,26,29-30H,7-14H2,1-6H3/t17-,18+,20+,21-,22+,23+,24-,26+,27+,28-/m1/s1
SMILES: CC[C@]1([C@H]([C@@](CCC1=O)(CC2=CC=CC=C2)O)O)C(=O)N3CCC[C@H]3COC
InChI: InChI=1S/C22H31NO5/c1-3-22(20(26)23-13-7-10-17(23)15-28-2)18(24)11-12-21(27,19(22)25)14-16-8-5-4-6-9-16/h4-6,8-9,17,19,25,27H,3,7,10-15H2,1-2H3/t17-,19-,21+,22-/m0/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@@H]4[C@]1([C@H](C(=O)O2)N(O4)CC5=CC(=CC=C5)C=CC(=O)OCC(F)(F)F)C(=O)NCCC(=O)NCCO)OC6(O3)CC7=CC=CC=C7C6
InChI: InChI=1S/C35H36F3N3O10/c36-35(37,38)19-47-26(44)9-8-20-4-3-5-21(14-20)18-41-29-31(45)48-24-17-34(29,32(46)40-11-10-25(43)39-12-13-42)30(51-41)28-27(24)49-33(50-28)15-22-6-1-2-7-23(22)16-33/h1-9,14,24,27-30,42H,10-13,15-19H2,(H,39,43)(H,40,46)/t24-,27+,28+,29+,30-,34+/m1/s1
SMILES: C[C@H]1[C@@H](C[C@@H](CC12OCCO2)C(=C)C)[C@@H](CC3=CNC4=CC=CC=C43)[N+](=O)[O-]
InChI: InChI=1S/C22H28N2O4/c1-14(2)16-10-19(15(3)22(12-16)27-8-9-28-22)21(24(25)26)11-17-13-23-20-7-5-4-6-18(17)20/h4-7,13,15-16,19,21,23H,1,8-12H2,2-3H3/t15-,16-,19+,21+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=C(ON=C2C3=CC=CC=C3)C
InChI: InChI=1S/C21H26N2O4/c1-13-8-7-11-17(14(13)2)22-18(24)12-26-21(25)19-15(3)27-23-20(19)16-9-5-4-6-10-16/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3,(H,22,24)/t13-,14+,17-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(CC2=CC=CC=C2)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=CC=CC=C4I)C(=O)NCCO)C(C)C
InChI: InChI=1S/C34H45IN2O6/c1-22(2)26-14-13-23(3)17-30(26)42-21-32(39)37(20-24-9-5-4-6-10-24)28-18-25(34(41)36-15-16-38)19-31(33(28)40)43-29-12-8-7-11-27(29)35/h4-12,19,22-23,26,28,30-31,33,38,40H,13-18,20-21H2,1-3H3,(H,36,41)/t23-,26+,28+,30-,31-,33-/m0/s1
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H37N3O12/c1-13(21(28)26(36)30-19(25(29)35)11-18-9-7-6-8-10-18)38-27-24(41-17(5)34)23(40-16(4)33)22(39-15(3)32)20(42-27)12-37-14(2)31/h6-10,13,19-24,27H,11-12,28H2,1-5H3,(H2,29,35)(H,30,36)/t13-,19+,20-,21+,22-,23+,24-,27-/m1/s1