EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCOC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC4=C5C=CC(=CC5=CC(=N4)N6CCOCC6)OC)C(=O)NS(=O)(=O)C7CC7
InChI: InChI=1S/C39H52N6O11S/c1-38(2,3)56-37(49)40-30-8-6-16-53-15-5-7-25-22-39(25,36(48)43-57(50,51)28-10-11-28)42-33(46)31-21-27(23-45(31)35(30)47)55-34-29-12-9-26(52-4)19-24(29)20-32(41-34)44-13-17-54-18-14-44/h5,7,9,12,19-20,25,27-28,30-31H,6,8,10-11,13-18,21-23H2,1-4H3,(H,40,49)(H,42,46)(H,43,48)/b7-5-/t25-,27-,30+,31+,39-/m1/s1
SMILES: CC(=CCC[C@H]([C@H]1CC=C2[C@@]1(CCC3(C2)OCCO3)C)C(=O)OC)C
InChI: InChI=1S/C21H32O4/c1-15(2)6-5-7-17(19(22)23-4)18-9-8-16-14-21(24-12-13-25-21)11-10-20(16,18)3/h6,8,17-18H,5,7,9-14H2,1-4H3/t17-,18-,20+/m1/s1
SMILES: C1[C@H]([C@@H](N(O1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)[Se]C4=CC=CC=C4
InChI: InChI=1S/C22H20ClNOSe/c23-19-13-11-17(12-14-19)15-24-22(18-7-3-1-4-8-18)21(16-25-24)26-20-9-5-2-6-10-20/h1-14,21-22H,15-16H2/t21-,22+/m1/s1
SMILES: C1[C@@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
InChI: InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m0/s1
SMILES: CCCO/N=C/C=C/[C@H]1CC[C@]2([C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C)O
InChI: InChI=1S/C25H41NO3/c1-4-16-29-26-15-5-6-18-9-14-25(28)22-8-7-19-17-20(27)10-12-23(19,2)21(22)11-13-24(18,25)3/h5-6,15,18-22,27-28H,4,7-14,16-17H2,1-3H3/b6-5+,26-15+/t18-,19+,20-,21-,22+,23-,24+,25-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC3(C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)C6=CC=CC=C6)O
InChI: InChI=1S/C29H25ClN2O5S/c1-17-15-32(28(35)31-27(17)34)26-14-22(33)23(37-26)16-36-29(18-7-3-2-4-8-18)20-9-5-6-10-24(20)38-25-12-11-19(30)13-21(25)29/h2-13,15,22-23,26,33H,14,16H2,1H3,(H,31,34,35)/t22-,23+,26+,29?/m0/s1
SMILES: CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O[C@H]3C[C@H](CC[C@@H]3C(C)C)C
InChI: InChI=1S/C22H31N3O2S/c1-5-16-7-9-17(10-8-16)21-23-22(25-24-21)28-13-20(26)27-19-12-15(4)6-11-18(19)14(2)3/h7-10,14-15,18-19H,5-6,11-13H2,1-4H3,(H,23,24,25)/t15-,18+,19-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]([C@@H]2C(=O)NC[C@H](C[C@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O)C(=O)N(CC6=CC=CC=C6)CC7=CC=CC=C7
InChI: InChI=1S/C44H47N3O5/c48-36(24-35(22-29-12-4-1-5-13-29)42(50)46-41-37-19-11-10-18-32(37)25-38(41)49)26-45-43(51)39-33-20-21-34(23-33)40(39)44(52)47(27-30-14-6-2-7-15-30)28-31-16-8-3-9-17-31/h1-21,33-36,38-41,48-49H,22-28H2,(H,45,51)(H,46,50)/t33-,34+,35-,36-,38+,39+,40+,41-/m0/s1
SMILES: CC(=O)OC[C@@]12[C@H](C(=O)[C@]([C@]([C@]1(CC[C@@H]([C@]23CO3)OC(=O)C)O)(C)CCC4=COC=C4)(C)O)O
InChI: InChI=1S/C24H32O10/c1-14(25)32-12-22-19(28)18(27)21(4,29)20(3,8-5-16-7-10-31-11-16)24(22,30)9-6-17(34-15(2)26)23(22)13-33-23/h7,10-11,17,19,28-30H,5-6,8-9,12-13H2,1-4H3/t17-,19-,20-,21-,22-,23+,24-/m0/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=C(C(=CC(=C8)Br)OC)O)C(=O)N(C7=O)CCCC(=O)O)C
InChI: InChI=1S/C39H36BrClN4O8S/c1-17-22-14-19(41)7-10-28(22)54-34(17)26-16-29(43(3)42-26)45-36(50)25-15-23-20(8-9-21-31(23)37(51)44(35(21)49)11-5-6-30(46)47)32(39(25,2)38(45)52)24-12-18(40)13-27(53-4)33(24)48/h7-8,10,12-14,16,21,23,25,31-32,48H,5-6,9,11,15H2,1-4H3,(H,46,47)/t21-,23+,25-,31-,32+,39+/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)COCC1=CC=CC=C1
InChI: InChI=1S/C70H73NO8/c1-9-25-53(26-10-1)43-72-51-61-41-63(67(76-47-57-33-17-5-18-34-57)69(78-49-59-37-21-7-22-38-59)65(61)74-45-55-29-13-3-14-30-55)71-64-42-62(52-73-44-54-27-11-2-12-28-54)66(75-46-56-31-15-4-16-32-56)70(79-50-60-39-23-8-24-40-60)68(64)77-48-58-35-19-6-20-36-58/h1-41,62-71H,42-52H2/t62-,63+,64+,65-,66-,67+,68+,69+,70+/m1/s1
SMILES: C[C@H]1[C@H]2[C@@H](NC(=O)[C@]2([C@H]([C@@H](C1=C)O[Si](C)(C)C(C)(C)C)/C=C/C[C@H](C)C[C@H](C)C=O)[C@@H](C=O)OC(=O)C)CC3=CC=CC=C3
InChI: InChI=1S/C36H53NO6Si/c1-23(19-24(2)21-38)15-14-18-29-33(43-44(9,10)35(6,7)8)26(4)25(3)32-30(20-28-16-12-11-13-17-28)37-34(41)36(29,32)31(22-39)42-27(5)40/h11-14,16-18,21-25,29-33H,4,15,19-20H2,1-3,5-10H3,(H,37,41)/b18-14+/t23-,24-,25+,29-,30-,31+,32-,33+,36+/m0/s1
SMILES: CN(C)C1=NC2=C(C=NN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C(=N1)N7CCCCC7
InChI: InChI=1S/C38H38N6O7/c1-42(2)38-40-32(43-21-13-6-14-22-43)28-23-39-44(33(28)41-38)34-31(51-37(47)27-19-11-5-12-20-27)30(50-36(46)26-17-9-4-10-18-26)29(49-34)24-48-35(45)25-15-7-3-8-16-25/h3-5,7-12,15-20,23,29-31,34H,6,13-14,21-22,24H2,1-2H3/t29-,30-,31-,34-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C5=CC=CC=C5)[C@@H]1C6=C(C=C(C=C6)OC)O)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C32H28N4O6/c1-32-24(28(38)34(29(32)39)19-9-5-3-6-10-19)18-25-22(27(32)23-14-13-21(42-2)17-26(23)37)15-16-33-30(40)35(31(41)36(25)33)20-11-7-4-8-12-20/h3-15,17,24-25,27,37H,16,18H2,1-2H3/t24-,25+,27+,32+/m0/s1
SMILES: CC[C@@H](C)N(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)[C@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C26H29ClN2O/c1-3-19(2)29(26(30)24-16-23(24)20-10-5-4-6-11-20)18-22-13-9-15-28(22)17-21-12-7-8-14-25(21)27/h4-15,19,23-24H,3,16-18H2,1-2H3/t19-,23+,24+/m1/s1
SMILES: CC1=CN=C2C3=C(C(=O)N(C(=O)N3)CCN4C[C@@H]5CCC6=C([C@@H]5C4)C=CC=C6OC)SC2=N1
InChI: InChI=1S/C24H25N5O3S/c1-13-10-25-20-19-21(33-22(20)26-13)23(30)29(24(31)27-19)9-8-28-11-14-6-7-16-15(17(14)12-28)4-3-5-18(16)32-2/h3-5,10,14,17H,6-9,11-12H2,1-2H3,(H,27,31)/t14-,17+/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=C4CNC(=O)NC56CC7CC(C5)CC(C7)C6)CN(CC=C)C8CCCC8
InChI: InChI=1S/C45H57N3O4/c1-3-20-48(39-9-5-6-10-39)28-41-30(2)42(36-14-12-31(29-49)13-15-36)52-43(51-41)37-18-16-35(17-19-37)40-11-7-4-8-38(40)27-46-44(50)47-45-24-32-21-33(25-45)23-34(22-32)26-45/h3-4,7-8,11-19,30,32-34,39,41-43,49H,1,5-6,9-10,20-29H2,2H3,(H2,46,47,50)/t30-,32?,33?,34?,41+,42+,43+,45?/m1/s1
SMILES: CC1=CC(=CC=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)NC(=O)/C=C/C5=CC(=CC(=C5)OC)OC
InChI: InChI=1S/C29H32N6O6/c1-17-5-4-6-19(9-17)13-30-27-25-28(32-15-31-27)35(16-33-25)29-24(26(38)22(14-36)41-29)34-23(37)8-7-18-10-20(39-2)12-21(11-18)40-3/h4-12,15-16,22,24,26,29,36,38H,13-14H2,1-3H3,(H,34,37)(H,30,31,32)/b8-7+/t22-,24-,26-,29-/m1/s1
SMILES: C1CCN(CC1)CCCOCC2[C@H]3[C@@H]2CN(C3)CC4=CC=C(C=C4)C5=NNN=N5
InChI: InChI=1S/C22H32N6O/c1-2-9-27(10-3-1)11-4-12-29-16-21-19-14-28(15-20(19)21)13-17-5-7-18(8-6-17)22-23-25-26-24-22/h5-8,19-21H,1-4,9-16H2,(H,23,24,25,26)/t19-,20+,21?
SMILES: COC[C@@H]1[C@H]([C@@H]([C@@H](N1C(=O)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)COC)OC)OC
InChI: InChI=1S/C28H36N2O8/c1-34-17-22-25(36-3)26(37-4)23(18-35-2)30(22)27(32)24(31)21(15-19-11-7-5-8-12-19)29-28(33)38-16-20-13-9-6-10-14-20/h5-14,21-23,25-26H,15-18H2,1-4H3,(H,29,33)/t21?,22-,23+,25-,26-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H](C2=C([C@H]1NC3=NC4=C(C(=N3)OCC=C)N=CN4[C@H]5C[C@@H]([C@H](O5)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C6=C(C=CC7=CC=CC=C76)C=C2)OC(=O)C)OC(=O)C
InChI: InChI=1S/C49H65N5O10Si2/c1-15-24-58-46-41-45(54(27-50-41)37-25-35(64-66(13,14)49(8,9)10)36(63-37)26-59-65(11,12)48(5,6)7)52-47(53-46)51-40-39-34(23-22-32-21-20-31-18-16-17-19-33(31)38(32)39)42(60-28(2)55)44(62-30(4)57)43(40)61-29(3)56/h15-23,27,35-37,40,42-44H,1,24-26H2,2-14H3,(H,51,52,53)/t35-,36+,37+,40+,42+,43-,44-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@@H]1OC2=CC(=C(C=C2)O)C(C)(C)C)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H33NO10/c1-12(26)25-20-22(33-15(4)29)21(32-14(3)28)19(11-31-13(2)27)35-23(20)34-16-8-9-18(30)17(10-16)24(5,6)7/h8-10,19-23,30H,11H2,1-7H3,(H,25,26)/t19-,20+,21+,22+,23-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)OCC8=CC=C(C=C8)F)C9=CC=CC=C9N6CC1=CC=C(C=C1)F
InChI: InChI=1S/C40H36F2N2O3/c41-28-12-7-25(8-13-28)22-44-32-4-2-1-3-30(32)31-20-40(46-23-26-9-14-29(42)15-10-26)34-19-27-11-16-33(45)37-35(27)39(40,38(47-37)36(31)44)17-18-43(34)21-24-5-6-24/h1-4,7-16,24,34,38,45H,5-6,17-23H2/t34-,38+,39+,40-/m1/s1
SMILES: C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)O)NC5=CC=CC=C45.CN(CCO)C(=N)N
InChI: InChI=1S/C20H22N2O3.C4H11N3O/c1-11-15-9-22-7-6-13-12-4-2-3-5-17(12)21-19(13)18(22)8-14(15)16(10-25-11)20(23)24;1-7(2-3-8)4(5)6/h2-5,10-11,14-15,18,21H,6-9H2,1H3,(H,23,24);8H,2-3H2,1H3,(H3,5,6)/t11-,14-,15-,18-;/m0./s1
SMILES: CC1=CC=C(O1)[C@]2([C@H](O[C@H]3[C@@H]2OC(O3)(C)C)[C@H]4COC(O4)(C)C)OCC#C
InChI: InChI=1S/C20H26O7/c1-7-10-21-20(14-9-8-12(2)23-14)15(13-11-22-18(3,4)25-13)24-17-16(20)26-19(5,6)27-17/h1,8-9,13,15-17H,10-11H2,2-6H3/t13-,15-,16+,17-,20-/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2C3=CC=CC4=CC=CC=C43)OC(=O)C5C(N(C5=O)C6=CC=C(C=C6)OC)CC7=CC8=C(C=C7)OCO8
InChI: InChI=1S/C39H39NO6/c1-38(2)29-18-19-39(38,3)34(28-11-7-9-24-8-5-6-10-27(24)28)35(29)46-37(42)33-30(20-23-12-17-31-32(21-23)45-22-44-31)40(36(33)41)25-13-15-26(43-4)16-14-25/h5-17,21,29-30,33-35H,18-20,22H2,1-4H3/t29-,30?,33?,34-,35-,39+/m1/s1
SMILES: CCOC1=NC2=C3C(=CN(C3=N1)[C@H]4C[C@@H]([C@H](O4)CO)O)CCON2
InChI: InChI=1S/C15H20N4O5/c1-2-22-15-16-13-12-8(3-4-23-18-13)6-19(14(12)17-15)11-5-9(21)10(7-20)24-11/h6,9-11,20-21H,2-5,7H2,1H3,(H,16,17,18)/t9-,10+,11+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O
InChI: InChI=1S/C24H26N2O4/c1-15(2)16-11-13-17(14-12-16)25-23(28)20-9-5-6-10-21(20)26-22(27)18-7-3-4-8-19(18)24(29)30/h3-6,9-15,18-19H,7-8H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)/t18-,19-/m1/s1
SMILES: C1C=C[C@@H]2N1C[C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C21H23NO2/c1-3-8-17(9-4-1)15-23-20-14-22-13-7-12-19(22)21(20)24-16-18-10-5-2-6-11-18/h1-12,19-21H,13-16H2/t19-,20-,21-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(CC[C@]34C)(S)S)C
InChI: InChI=1S/C27H46S2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27(28,29)16-15-25(20,4)24(21)13-14-26(22,23)5/h17-19,21-24,28-29H,6-16H2,1-5H3/t19-,21+,22-,23+,24+,25+,26-/m1/s1
SMILES: CC(C)C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)N[C@@H]4CCOC[C@H]4C(=O)NO
InChI: InChI=1S/C24H28N4O4/c1-15(2)22-25-20-5-3-4-6-21(20)28(22)13-16-7-9-17(10-8-16)23(29)26-19-11-12-32-14-18(19)24(30)27-31/h3-10,15,18-19,31H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t18-,19-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H23NO11S/c1-10(22)28-9-16-17(29-11(2)23)18(30-12(3)24)19(31-13(4)25)20(32-16)33-15-7-5-14(6-8-15)21(26)27/h5-8,16-20H,9H2,1-4H3/t16-,17+,18+,19-,20+/m1/s1
SMILES: CCCCNC(=O)[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)N=[N+]=[N-]
InChI: InChI=1S/C10H18N4O5/c1-2-3-4-12-9(18)10(13-14-11)8(17)7(16)6(5-15)19-10/h6-8,15-17H,2-5H2,1H3,(H,12,18)/t6-,7-,8+,10-/m1/s1
SMILES: C#C[C@]1([C@H](O[C@H]([C@@H]1O)N2C=C(C(=NC2=O)N)F)CO)O
InChI: InChI=1S/C11H12FN3O5/c1-2-11(19)6(4-16)20-9(7(11)17)15-3-5(12)8(13)14-10(15)18/h1,3,6-7,9,16-17,19H,4H2,(H2,13,14,18)/t6-,7+,9-,11-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H](O[C@H]([C@@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CN=CN4)OCCC5=CNC6=CC=CC=C65)COCCCCCN
InChI: InChI=1S/C39H48N4O6/c40-19-10-3-11-20-44-27-35-36(46-24-29-12-4-1-5-13-29)37(47-25-30-14-6-2-7-15-30)38(48-26-32-23-41-28-43-32)39(49-35)45-21-18-31-22-42-34-17-9-8-16-33(31)34/h1-2,4-9,12-17,22-23,28,35-39,42H,3,10-11,18-21,24-27,40H2,(H,41,43)/t35-,36-,37+,38+,39+/m0/s1
SMILES: COC1=CC=C(C=C1)C2=NO[C@H]3[C@H]2/C(=N\NC(=O)C4=CC=CC=C4)/[C@@H]5OC[C@@H]3O5
InChI: InChI=1S/C21H19N3O5/c1-26-14-9-7-12(8-10-14)17-16-18(21-27-11-15(28-21)19(16)29-24-17)22-23-20(25)13-5-3-2-4-6-13/h2-10,15-16,19,21H,11H2,1H3,(H,23,25)/b22-18+/t15-,16+,19+,21+/m0/s1
SMILES: CCOC(=O)N1CCC(CC1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)C5NNC(O5)C6CC6)O)O
InChI: InChI=1S/C22H32N8O6/c1-2-34-22(33)29-7-5-12(6-8-29)26-17-13-18(24-9-23-17)30(10-25-13)21-15(32)14(31)16(35-21)20-28-27-19(36-20)11-3-4-11/h9-12,14-16,19-21,27-28,31-32H,2-8H2,1H3,(H,23,24,26)/t14-,15+,16-,19?,20?,21+/m0/s1
SMILES: CCC(C1=CC(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)(C(C)CN(C)C)O
InChI: InChI=1S/C20H31NO8/c1-5-20(27,11(2)10-21(3)4)12-7-6-8-13(9-12)28-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-9,11,14-17,19,22-24,27H,5,10H2,1-4H3,(H,25,26)/t11?,14-,15-,16+,17-,19+,20?/m0/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC=CC=C4F)C(=O)CC5CCCC5)C(=O)NCCO)CO
InChI: InChI=1S/C31H37FN2O7/c1-40-25-13-19(17-36)12-21-27-22(31(39)33-10-11-35)15-24(28(38)30(27)41-29(21)25)34(16-20-8-4-5-9-23(20)32)26(37)14-18-6-2-3-7-18/h4-5,8-9,12-13,15,18,24,27-28,30,35-36,38H,2-3,6-7,10-11,14,16-17H2,1H3,(H,33,39)/t24-,27+,28+,30+/m1/s1
SMILES: COC(=O)C1([C@H]2[C@@H]1[C@H]3[C@H](C3(C(=O)OC)C(=O)OC)C=C2)C(=O)OC
InChI: InChI=1S/C16H18O8/c1-21-11(17)15(12(18)22-2)7-5-6-8-10(9(7)15)16(8,13(19)23-3)14(20)24-4/h5-10H,1-4H3/t7-,8-,9-,10-/m1/s1
SMILES: CC1=C(C=CC(=C1)O)N(CC2=NN(N=N2)C)[C@@H]3[C@H]([C@@](OC4=C3C=C(C=C4)[N+](=O)[O-])(C)C(OC)OC)O
InChI: InChI=1S/C23H28N6O7/c1-13-10-15(30)7-8-17(13)28(12-19-24-26-27(3)25-19)20-16-11-14(29(32)33)6-9-18(16)36-23(2,21(20)31)22(34-4)35-5/h6-11,20-22,30-31H,12H2,1-5H3/t20-,21+,23-/m0/s1
SMILES: COC1=CC(=CC(=C1O)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C(=O)OC)C(=O)N(C3=O)C(=O)OC)Br
InChI: InChI=1S/C25H23BrN2O10/c1-36-15-7-9(26)6-13(19(15)29)16-10-4-5-11-17(22(32)27(20(11)30)24(34)37-2)12(10)8-14-18(16)23(33)28(21(14)31)25(35)38-3/h4,6-7,11-12,14,16-18,29H,5,8H2,1-3H3/t11-,12+,14+,16+,17-,18+/m0/s1
SMILES: C[C@@H]1CCC=C2[C@@]1([C@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3CNCCC4=CC(=C(C=C4)O)O)O)C
InChI: InChI=1S/C23H31NO5/c1-13-4-3-5-15-11-19-20(21(27)23(13,15)2)16(22(28)29-19)12-24-9-8-14-6-7-17(25)18(26)10-14/h5-7,10,13,16,19-21,24-27H,3-4,8-9,11-12H2,1-2H3/t13-,16+,19-,20-,21+,23-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3Cl)[N+](=O)[O-])C4=CC(=CC=C4)F
InChI: InChI=1S/C18H14ClFN2O2/c19-16-9-12(22(23)24)8-15-13-5-2-6-14(13)17(21-18(15)16)10-3-1-4-11(20)7-10/h1-5,7-9,13-14,17,21H,6H2/t13-,14+,17-/m0/s1
SMILES: CC1=CC2=C(C=C1C)OC(=O)C=C2CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C20H19NO4/c1-11-7-16-13(9-18(22)25-17(16)8-12(11)2)10-21-19(23)14-5-3-4-6-15(14)20(21)24/h3-4,7-9,14-15H,5-6,10H2,1-2H3/t14-,15+
SMILES: CC1=C2[C@H](C[C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)CC1=O)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C24H34O6/c1-12-17(27)8-9-24(7)11-19(29-14(3)25)20-13(2)18(28)10-16(23(20,5)6)22(21(12)24)30-15(4)26/h16-17,19,21-22,27H,1,8-11H2,2-7H3/t16-,17-,19-,21-,22+,24-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=O)C4=CC(=C(C=C34)OC)O
InChI: InChI=1S/C19H22O4/c1-19-6-5-10-11-9-17(23-2)16(21)8-13(11)15(20)7-12(10)14(19)3-4-18(19)22/h8-10,12,14,21H,3-7H2,1-2H3/t10-,12-,14+,19+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C)C
InChI: InChI=1S/C19H26N4O6/c1-12-6-4-5-7-15(12)20-19(26)21-17(24)11-29-18(25)14-10-13(23(27)28)8-9-16(14)22(2)3/h8-10,12,15H,4-7,11H2,1-3H3,(H2,20,21,24,26)/t12-,15-/m1/s1
SMILES: CC1=CC(=C2C(=C1C)[C@H]3C=CC[C@H]3[C@@H](N2)C4=CC=C(C=C4)C(=O)OC)[N+](=O)[O-]
InChI: InChI=1S/C22H22N2O4/c1-12-11-18(24(26)27)21-19(13(12)2)16-5-4-6-17(16)20(23-21)14-7-9-15(10-8-14)22(25)28-3/h4-5,7-11,16-17,20,23H,6H2,1-3H3/t16-,17+,20-/m0/s1
SMILES: C1=CC(=CC=C1[C@@H]2[C@H](C(=O)NN2)NC(=O)C3=CC=C(C=C3)F)Cl
InChI: InChI=1S/C16H13ClFN3O2/c17-11-5-1-9(2-6-11)13-14(16(23)21-20-13)19-15(22)10-3-7-12(18)8-4-10/h1-8,13-14,20H,(H,19,22)(H,21,23)/t13-,14-/m1/s1
SMILES: CCOP(=O)(OCC)O[C@@H]1[C@H](C([C@H]([C@H](C1OP(=O)(OC)OCCCCCCNC(=O)OCC2=CC=CC=C2)OP(=O)(OCC)OCC)OP(=O)(OCC)OCC)OP(=O)(OCC)OCC)OP(=O)(OCC)OCC
InChI: InChI=1S/C41H79NO26P6/c1-12-52-70(45,53-13-2)64-36-35(63-69(44,50-11)62-32-28-23-22-27-31-42-41(43)51-33-34-29-25-24-26-30-34)37(65-71(46,54-14-3)55-15-4)39(67-73(48,58-18-7)59-19-8)40(68-74(49,60-20-9)61-21-10)38(36)66-72(47,56-16-5)57-17-6/h24-26,29-30,35-40H,12-23,27-28,31-33H2,1-11H3,(H,42,43)/t35?,36-,37-,38-,39+,40?,69?/m0/s1
SMILES: CCC1=CC=C(C=C1)[C@@H](CNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)N(C)C
InChI: InChI=1S/C23H33N3O3/c1-4-16-9-11-17(12-10-16)20(25(2)3)15-24-21(27)13-14-26-22(28)18-7-5-6-8-19(18)23(26)29/h9-12,18-20H,4-8,13-15H2,1-3H3,(H,24,27)/t18-,19-,20+/m0/s1
SMILES: CCCNC(=O)NC(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C17H23N3O6/c1-2-8-18-17(25)19-13(21)10-26-14(22)7-9-20-15(23)11-5-3-4-6-12(11)16(20)24/h3-4,11-12H,2,5-10H2,1H3,(H2,18,19,21,25)/t11-,12+
SMILES: CC1CCC2C1C(OC=C2C=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C16H24O8/c1-7-2-3-9-8(4-17)6-22-15(11(7)9)24-16-14(21)13(20)12(19)10(5-18)23-16/h4,6-7,9-16,18-21H,2-3,5H2,1H3/t7?,9?,10-,11?,12-,13+,14-,15?,16+/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC=C(C=C6)C7=CC=CC=C7)CCCCO)CCCCO)N(CCOCCO)C(=O)C8CC8
InChI: InChI=1S/C54H63N3O11/c1-2-30-65-54-50(56(26-31-64-32-29-60)53(61)40-16-17-40)35-48(55-66-36-37-14-20-42(21-15-37)57(62)63)46-33-41(12-6-8-27-58)45(13-7-9-28-59)51(52(46)54)47-34-44(24-25-49(47)68-54)67-43-22-18-39(19-23-43)38-10-4-3-5-11-38/h2-5,10-11,14-15,18-25,33-34,40-41,45,50-52,58-60H,1,6-9,12-13,16-17,26-32,35-36H2/t41-,45+,50-,51+,52+,54+/m0/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)OC5=CC(=C(C=C5)OC)C=O)CCCCO)CCCCO)OCC=C)N(CC6=CC=CC7=CC=CC=C76)C(=O)CCC8CCCC8
InChI: InChI=1S/C58H72N2O9/c1-6-32-66-58-53(60(54(64)29-24-39-16-7-8-17-39)37-42-21-15-20-40-18-9-10-22-46(40)42)36-50(59-69-57(2,3)4)48-34-41(19-11-13-30-61)47(23-12-14-31-62)55(56(48)58)49-35-45(26-28-52(49)68-58)67-44-25-27-51(65-5)43(33-44)38-63/h6,9-10,15,18,20-22,25-28,33-35,38-39,41,47,53,55-56,61-62H,1,7-8,11-14,16-17,19,23-24,29-32,36-37H2,2-5H3/t41-,47+,53-,55+,56+,58+/m0/s1
SMILES: C[C@@]1\2CC[C@@H](C1(C)C)[C@@H](/C2=N/O)[Se]CC3CCCCO3
InChI: InChI=1S/C16H27NO2Se/c1-15(2)12-7-8-16(15,3)14(17-18)13(12)20-10-11-6-4-5-9-19-11/h11-13,18H,4-10H2,1-3H3/b17-14-/t11?,12-,13+,16+/m1/s1
SMILES: CC1=CC=C(O1)/C=C/C(=O)C2=C([C@H]3C=C(C=C[C@H]3NC2=O)Br)C4=CC=CC=C4
InChI: InChI=1S/C23H18BrNO3/c1-14-7-9-17(28-14)10-12-20(26)22-21(15-5-3-2-4-6-15)18-13-16(24)8-11-19(18)25-23(22)27/h2-13,18-19H,1H3,(H,25,27)/b12-10+/t18-,19+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)NCC(=O)NC)C
InChI: InChI=1S/C15H24N2O7/c1-14(2)21-8-9(22-14)11-13(24-15(3,4)23-11)20-10(8)12(19)17-6-7(18)16-5/h8-11,13H,6H2,1-5H3,(H,16,18)(H,17,19)/t8-,9+,10+,11+,13-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O
InChI: InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22?,23-,25+/m0/s1
SMILES: C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)CN5CCN(CC5)CCCO[N+](=O)[O-])O)C)O)F)C)F
InChI: InChI=1S/C31H43F2N3O9/c1-19-13-21-22-15-24(32)23-14-20(37)5-6-28(23,2)30(22,33)25(38)16-29(21,3)31(19,41)26(39)18-44-27(40)17-35-10-8-34(9-11-35)7-4-12-45-36(42)43/h5-6,14,19,21-22,24-25,38,41H,4,7-13,15-18H2,1-3H3/t19-,21?,22?,24+,25+,28+,29+,30+,31+/m1/s1
SMILES: CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@H]2C3=C(C=C(C=C3)OC)O)(C)C(=O)O
InChI: InChI=1S/C19H24N2O6/c1-4-5-8-21-16(23)13-14(17(21)24)19(2,18(25)26)20-15(13)11-7-6-10(27-3)9-12(11)22/h6-7,9,13-15,20,22H,4-5,8H2,1-3H3,(H,25,26)/t13-,14-,15-,19+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](S1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2OC)CO)O)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H38O14S/c1-14(30)36-13-20-22(38-15(2)31)24(39-16(3)32)26(40-17(4)33)28(43-20)42-25-23(37-12-18-9-7-6-8-10-18)21(34)19(11-29)41-27(25)35-5/h6-10,19-29,34H,11-13H2,1-5H3/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28-/m1/s1
SMILES: CCCC1=C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)CC4)C)C
InChI: InChI=1S/C22H30O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h12-13,16-18H,4-11H2,1-3H3/t16-,17-,18-,21+,22-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)CCC4=CC(=O)CC[C@]34[C@@H]5CN5
InChI: InChI=1S/C26H43NO2Si/c1-24(2,3)30(5,6)29-23-10-9-20-19-8-7-17-15-18(28)11-14-26(17,22-16-27-22)21(19)12-13-25(20,23)4/h15,19-23,27H,7-14,16H2,1-6H3/t19-,20-,21-,22-,23-,25-,26+/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CCC3C2[C@H](C[C@]4(C3CC[C@@H]4O)C)O
InChI: InChI=1S/C19H28O3/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/h9,13-17,21-22H,3-8,10H2,1-2H3/t13?,14?,15-,16-,17?,18-,19-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C(=O)OC
InChI: InChI=1S/C38H35ClN4O7S/c1-16-11-19(12-17(2)31(16)44)30-21-8-9-22-29(35(47)43(33(22)45)37(49)50-6)24(21)14-25-34(46)42(36(48)38(25,30)4)28-15-26(40-41(28)5)32-18(3)23-13-20(39)7-10-27(23)51-32/h7-8,10-13,15,22,24-25,29-30,44H,9,14H2,1-6H3/t22-,24+,25-,29-,30-,38+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CCCCC(=O)O)O
InChI: InChI=1S/C16H22N2O8/c1-9-7-18(16(24)17-15(9)23)12-6-10(19)11(26-12)8-25-14(22)5-3-2-4-13(20)21/h7,10-12,19H,2-6,8H2,1H3,(H,20,21)(H,17,23,24)/t10-,11+,12+/m0/s1
SMILES: CCS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C63H66O11S/c1-2-75-63-60(70-43-51-34-20-8-21-35-51)58(69-42-50-32-18-7-19-33-50)56(67-40-48-28-14-5-15-29-48)54(73-63)45-71-62-59(74-61(64)52-36-22-9-23-37-52)57(68-41-49-30-16-6-17-31-49)55(66-39-47-26-12-4-13-27-47)53(72-62)44-65-38-46-24-10-3-11-25-46/h3-37,53-60,62-63H,2,38-45H2,1H3/t53-,54-,55-,56-,57+,58+,59+,60+,62+,63-/m1/s1
SMILES: CC1([C@H]2[C@@H]1C=C([C@@H](C2)OC)[C@H]3CCCC[C@]3(C=C)O)C
InChI: InChI=1S/C18H28O2/c1-5-18(19)9-7-6-8-13(18)12-10-14-15(17(14,2)3)11-16(12)20-4/h5,10,13-16,19H,1,6-9,11H2,2-4H3/t13-,14+,15-,16-,18+/m1/s1
SMILES: CC(C)C[C@@H](C(=O)NC1=CC=CC=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C30H28N2O3/c1-17(2)16-23(28(33)31-18-10-4-3-5-11-18)32-29(34)26-24-19-12-6-7-13-20(19)25(27(26)30(32)35)22-15-9-8-14-21(22)24/h3-15,17,23-27H,16H2,1-2H3,(H,31,33)/t23-,24?,25?,26-,27-/m0/s1
SMILES: CC1CCC2(CC1)[C@@H]3[C@@H]([C@@H]4N2CCC4)C(=O)N(C3=O)C5=CC=CC=C5
InChI: InChI=1S/C21H26N2O2/c1-14-9-11-21(12-10-14)18-17(16-8-5-13-22(16)21)19(24)23(20(18)25)15-6-3-2-4-7-15/h2-4,6-7,14,16-18H,5,8-13H2,1H3/t14?,16-,17-,18-,21?/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NC[C@H](C3=CC=CO3)N4CCCC4
InChI: InChI=1S/C21H29N3O4/c25-19(9-12-24-20(26)15-6-1-2-7-16(15)21(24)27)22-14-17(18-8-5-13-28-18)23-10-3-4-11-23/h5,8,13,15-17H,1-4,6-7,9-12,14H2,(H,22,25)/t15-,16-,17-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC(=C2)CC3=CC=C(C=C3)Cl)O)O)O
InChI: InChI=1S/C18H19ClO5/c19-13-6-4-11(5-7-13)8-12-2-1-3-14(9-12)24-18-17(22)16(21)15(20)10-23-18/h1-7,9,15-18,20-22H,8,10H2/t15-,16+,17-,18+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)C(=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H16N2O4/c22-19(23)12-7-8-17-16(10-12)14-5-2-6-15(14)18(20-17)11-3-1-4-13(9-11)21(24)25/h1-5,7-10,14-15,18,20H,6H2,(H,22,23)/p-1/t14-,15-,18+/m0/s1
SMILES: CC(C)C(C)CCC(C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19?,20?,22-,23?,24+,25?,26?,27-,28+/m0/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@H]3C4C5=CC=CC=C5C([C@@]3(C2=O)C)C6=CC=CC=C46
InChI: InChI=1S/C26H21NO2/c1-15-8-7-9-16(14-15)27-24(28)23-21-17-10-3-5-12-19(17)22(26(23,2)25(27)29)20-13-6-4-11-18(20)21/h3-14,21-23H,1-2H3/t21?,22?,23-,26+/m1/s1
SMILES: C[C@H]1[C@H]2[C@@H](C[C@H](N1)C(=O)O)C3=CC=CC=C3N2
InChI: InChI=1S/C13H16N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,9,11-12,14-15H,6H2,1H3,(H,16,17)/t7-,9-,11-,12-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)CCC(=O)C2=CC=CS2
InChI: InChI=1S/C19H27NO4S/c1-12-6-4-7-15(13(12)2)20-19(23)14(3)24-18(22)10-9-16(21)17-8-5-11-25-17/h5,8,11-15H,4,6-7,9-10H2,1-3H3,(H,20,23)/t12-,13+,14+,15+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)OC)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C28H21NO6/c1-15-10-12-16(13-11-15)23-21-22(27(33)29(26(21)32)17-6-5-7-18(14-17)34-2)28(35-23)24(30)19-8-3-4-9-20(19)25(28)31/h3-14,21-23H,1-2H3/t21-,22+,23-/m1/s1