EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C(C=C(C(=C52)O[C@H]3[C@H](CC4)O)OC)F
InChI: InChI=1S/C18H22FNO3/c1-20-6-5-18-10-3-4-13(21)17(18)23-16-14(22-2)8-11(19)9(15(16)18)7-12(10)20/h8,10,12-13,17,21H,3-7H2,1-2H3/t10-,12+,13-,17-,18-/m0/s1
SMILES: C1C2=C(C=C(C=C2)Br)[C@@H]3[C@@H](N1CC4=C3C=CC(=C4)Br)CCCO
InChI: InChI=1S/C19H19Br2NO/c20-14-5-6-16-13(8-14)11-22-10-12-3-4-15(21)9-17(12)19(16)18(22)2-1-7-23/h3-6,8-9,18-19,23H,1-2,7,10-11H2/t18-,19+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CN=[N+]=[N-])N=[N+]=[N-])O)C
InChI: InChI=1S/C9H14N6O4/c1-9(2)18-7-5(16)6(17-8(7)19-9)4(13-15-11)3-12-14-10/h4-8,16H,3H2,1-2H3/t4-,5+,6-,7-,8-/m1/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]45[C@H]3CC[C@@H]4CC(CC5)O)OCOC
InChI: InChI=1S/C24H40O3/c1-23-10-8-19(27-15-26-2)14-16(23)3-5-20-21(23)9-12-24-11-7-18(25)13-17(24)4-6-22(20)24/h16-22,25H,3-15H2,1-2H3/t16-,17+,18?,19+,20+,21-,22-,23-,24+/m0/s1
SMILES: CCOC1=CC=CC=C1NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C17H19NO4/c1-2-22-13-6-4-3-5-12(13)18-16(19)14-10-7-8-11(9-10)15(14)17(20)21/h3-8,10-11,14-15H,2,9H2,1H3,(H,18,19)(H,20,21)/t10-,11+,14-,15-/m0/s1
SMILES: C1C[C@@H]2C[C@@H]1C[C@@H]2CC(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F
InChI: InChI=1S/C17H19FN2O5/c18-14-4-3-13(20(23)24)8-15(14)19-16(21)9-25-17(22)7-12-6-10-1-2-11(12)5-10/h3-4,8,10-12H,1-2,5-7,9H2,(H,19,21)/t10-,11-,12-/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3
InChI: InChI=1S/C21H26N2O3S/c24-20(23-12-11-15-5-1-2-6-16(15)13-23)14-26-21(25)10-9-19-22-17-7-3-4-8-18(17)27-19/h3-4,7-8,15-16H,1-2,5-6,9-14H2/t15-,16-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2CC(C(O2)COC(=O)CCC(=O)OC[C@@H]3[C@@H]([C@@H]([C@H](C(O3)O)O)O)O)N=[N+]=[N-]
InChI: InChI=1S/C20H27N5O12/c1-8-5-25(20(33)22-18(8)31)12-4-9(23-24-21)10(36-12)6-34-13(26)2-3-14(27)35-7-11-15(28)16(29)17(30)19(32)37-11/h5,9-12,15-17,19,28-30,32H,2-4,6-7H2,1H3,(H,22,31,33)/t9?,10?,11-,12-,15+,16+,17-,19?/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)N2C(=O)[C@@H]3[C@H](N4CCCN4[C@@H]3C2=O)C5=CC=C(C=C5)F)C
InChI: InChI=1S/C23H24FN3O2/c1-13-11-14(2)19(15(3)12-13)27-22(28)18-20(16-5-7-17(24)8-6-16)25-9-4-10-26(25)21(18)23(27)29/h5-8,11-12,18,20-21H,4,9-10H2,1-3H3/t18-,20-,21+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CC4=CCCCC4)[C@@]5(C2=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)NC1=CC=C(C=C1)N1CCOCC1
InChI: InChI=1S/C62H59N5O8/c1-41(44-17-8-3-9-18-44)63-61(72)66-52-32-27-43(26-25-42-15-6-2-7-16-42)39-51(52)62(60(66)71)53(58(69)64-48-28-30-49(31-29-48)65-33-36-73-37-34-65)55-59(70)75-56(46-21-12-5-13-22-46)54(45-19-10-4-11-20-45)67(55)57(62)47-23-14-24-50(40-47)74-38-35-68/h3-5,8-15,17-24,27-32,39-41,53-57,68H,2,6-7,16,33-38H2,1H3,(H,63,72)(H,64,69)/t41-,53-,54-,55-,56+,57+,62-/m1/s1
SMILES: CC(C)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C2=CC(=NO2)NC(=O)N(C)C
InChI: InChI=1S/C16H27N3O8/c1-16(2,9-5-10(18-27-9)17-15(24)19(3)4)7-25-14-13(23)12(22)11(21)8(6-20)26-14/h5,8,11-14,20-23H,6-7H2,1-4H3,(H,17,18,24)/t8-,11-,12+,13-,14-/m1/s1
SMILES: CCOC(=O)/C=C/1\[C@@H]2CCN([C@H]1[C@H]3C[C@@H]2C(=O)OC3)C4=NC=C(C=C4)NC(=O)OC(C)(C)C
InChI: InChI=1S/C24H31N3O6/c1-5-31-20(28)11-17-16-8-9-27(21(17)14-10-18(16)22(29)32-13-14)19-7-6-15(12-25-19)26-23(30)33-24(2,3)4/h6-7,11-12,14,16,18,21H,5,8-10,13H2,1-4H3,(H,26,30)/b17-11+/t14-,16-,18-,21-/m0/s1
SMILES: CCCCCCC(C)(C)C1=CC(=C(C(=C1)OP(=O)(OCC)OCC)[C@H]2CC([C@H]3C[C@@H]2C3(C)C)O)OP(=O)(OCC)OCC
InChI: InChI=1S/C32H56O9P2/c1-10-15-16-17-18-31(6,7)23-19-28(40-42(34,36-11-2)37-12-3)30(24-21-27(33)26-22-25(24)32(26,8)9)29(20-23)41-43(35,38-13-4)39-14-5/h19-20,24-27,33H,10-18,21-22H2,1-9H3/t24-,25-,26+,27?/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1/C=C/COC3=CC=CC4=C3C5=CC=CC=C5C4=O)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-])[C@@H](C)O
InChI: InChI=1S/C32H26N2O8/c1-17-21(10-6-16-41-25-11-5-9-24-27(25)22-7-3-4-8-23(22)30(24)36)29(33-28(17)26(18(2)35)31(33)37)32(38)42-20-14-12-19(13-15-20)34(39)40/h3-15,17-18,26,28,35H,16H2,1-2H3/b10-6+/t17-,18+,26+,28+/m0/s1
SMILES: C[C@@]12C[C@H]([C@H]3[C@H]([C@H]1CC[C@@]2(C(=O)COC(=O)CCC(=O)NCC4=CN=CC=C4)O)CCC5=CC(=O)C=C[C@]35C)O
InChI: InChI=1S/C31H38N2O7/c1-29-11-9-21(34)14-20(29)5-6-22-23-10-12-31(39,30(23,2)15-24(35)28(22)29)25(36)18-40-27(38)8-7-26(37)33-17-19-4-3-13-32-16-19/h3-4,9,11,13-14,16,22-24,28,35,39H,5-8,10,12,15,17-18H2,1-2H3,(H,33,37)/t22-,23+,24+,28+,29-,30+,31-/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@]2(C3=C(C=CC(=C3)Br)NC2=O)N4[C@H]1CCC4
InChI: InChI=1S/C17H19BrN2O3/c1-2-23-15(21)11-9-17(20-7-3-4-14(11)20)12-8-10(18)5-6-13(12)19-16(17)22/h5-6,8,11,14H,2-4,7,9H2,1H3,(H,19,22)/t11-,14-,17+/m0/s1
SMILES: CCOC(=O)N(CCCOC)C[C@@]1(CC[C@@H]2[C@@]1(CCC=C(CC[C@@H](CC3=CC(=C2C=C3)C(=O)C4=CC=CC=C4C5=CC=CC=C5)O)C)C)O
InChI: InChI=1S/C42H53NO6/c1-5-49-40(46)43(25-12-26-48-4)29-42(47)24-22-38-35-21-19-31(27-33(44)20-18-30(2)13-11-23-41(38,42)3)28-37(35)39(45)36-17-10-9-16-34(36)32-14-7-6-8-15-32/h6-10,13-17,19,21,28,33,38,44,47H,5,11-12,18,20,22-27,29H2,1-4H3/t33-,38-,41-,42+/m0/s1
SMILES: CC(=O)N\1[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O/C1=N\[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O)O)O
InChI: InChI=1S/C22H30N2O14/c1-7(25)24-13-14(30)15(31)16(32)18(13)38-22(24)23-21-20(36-11(5)29)19(35-10(4)28)17(34-9(3)27)12(37-21)6-33-8(2)26/h12-21,30-32H,6H2,1-5H3/b23-22-/t12-,13-,14-,15+,16-,17-,18-,19+,20-,21+/m1/s1
SMILES: C1C[C@@H]2CCN([C@@H]2[C@@H](C1)C3=CC4=C(C=C3)OCO4)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C23H25NO4/c25-23(26-14-16-5-2-1-3-6-16)24-12-11-17-7-4-8-19(22(17)24)18-9-10-20-21(13-18)28-15-27-20/h1-3,5-6,9-10,13,17,19,22H,4,7-8,11-12,14-15H2/t17-,19+,22+/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C25H21ClN2O4/c1-2-31-20-14-12-18(13-15-20)27-24(29)21-22(16-8-10-17(26)11-9-16)28(32-23(21)25(27)30)19-6-4-3-5-7-19/h3-15,21-23H,2H2,1H3/t21-,22-,23-/m0/s1
SMILES: CN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=C3C=CC(=C4)NCC5CCCC5)O)Cl
InChI: InChI=1S/C25H31ClN2O/c1-28-11-10-18-13-22(26)24(29)14-21(18)25-20-8-7-19(12-17(20)6-9-23(25)28)27-15-16-4-2-3-5-16/h7-8,12-14,16,23,25,27,29H,2-6,9-11,15H2,1H3/t23-,25+/m0/s1
SMILES: CC(=C)[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)O
InChI: InChI=1S/C20H30O4/c1-12(2)13-6-9-20(24)14(10-13)15(21)11-16-18(3,17(22)23)7-5-8-19(16,20)4/h13-14,16,24H,1,5-11H2,2-4H3,(H,22,23)/t13-,14+,16-,18+,19-,20+/m0/s1
SMILES: [C@H]12[C@H]3C(=O)[C@@H]4[C@H](C1=O)[C@@]5([C@]2([C@]3([C@]4(C5(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C11H4Cl6O2/c12-7-1-2-6(19)4-3(5(1)18)9(7,14)11(16,17)10(4,15)8(2,7)13/h1-4H/t1-,2-,3-,4+,7+,8-,9+,10-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C(C)(C)C
InChI: InChI=1S/C27H29BrCl2N2O5/c1-12-8-14(9-13(2)20(12)33)19-15-6-7-16-18(22(35)32(21(16)34)25(3,4)5)17(15)10-26(29)23(36)31(11-28)24(37)27(19,26)30/h6,8-9,16-19,33H,7,10-11H2,1-5H3/t16-,17+,18-,19-,26+,27-/m0/s1
SMILES: CCCCCCC#C[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)N=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C48H52NO5P/c1-3-4-5-6-7-23-34-44-46(49-55(41-28-17-10-18-29-41,42-30-19-11-20-31-42)43-32-21-12-22-33-43)48(53-36-40-26-15-9-16-27-40)47(45(54-44)37-51-38(2)50)52-35-39-24-13-8-14-25-39/h8-22,24-33,44-48H,3-7,35-37H2,1-2H3/t44-,45-,46+,47+,48-/m1/s1
SMILES: C\1CN(C(=O)/C1=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CSC4=NC5=CC=CC=C5S4)SC2)C(=O)[O-])CC6=CC=[N+](C=C6)CC(=O)NC7=CC=C(C=C7)O
InChI: InChI=1S/C35H30N6O7S3/c42-24-7-5-23(6-8-24)36-27(43)17-39-12-9-20(10-13-39)16-40-14-11-21(31(40)45)15-22-18-49-33-29(32(46)41(33)30(22)34(47)48)38-28(44)19-50-35-37-25-3-1-2-4-26(25)51-35/h1-10,12-13,15,29,33H,11,14,16-19H2,(H3-,36,38,42,43,44,47,48)/b21-15+/t29-,33-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)SC5=CC=CC=C5C(=O)OC)C
InChI: InChI=1S/C23H30O6S/c1-13-9-10-17-14(2)20(30-18-8-6-5-7-15(18)19(24)25-4)26-21-23(17)16(13)11-12-22(3,27-21)28-29-23/h5-8,13-14,16-17,20-21H,9-12H2,1-4H3/t13-,14-,16+,17+,20-,21-,22-,23-/m1/s1
SMILES: C[C@]12[C@H](C(=NN1)C(=O)OC)C(=O)N(C2=O)C3=CC=CC=C3Cl
InChI: InChI=1S/C14H12ClN3O4/c1-14-9(10(16-17-14)12(20)22-2)11(19)18(13(14)21)8-6-4-3-5-7(8)15/h3-6,9,17H,1-2H3/t9-,14-/m1/s1
SMILES: CC(=CCC/C(=C/[C@@H]1[C@@]2(C[C@@H](C=CC2=O)OC(=O)C3=C(C=C(C=C3)Cl)Cl)CC(=O)O1)/C)C
InChI: InChI=1S/C25H26Cl2O5/c1-15(2)5-4-6-16(3)11-22-25(14-23(29)32-22)13-18(8-10-21(25)28)31-24(30)19-9-7-17(26)12-20(19)27/h5,7-12,18,22H,4,6,13-14H2,1-3H3/b16-11+/t18-,22-,25+/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1Cl)N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C20H21ClN2O5/c1-10(20(27)28-9-15(24)22-14-5-3-2-4-13(14)21)23-18(25)16-11-6-7-12(8-11)17(16)19(23)26/h2-5,10-12,16-17H,6-9H2,1H3,(H,22,24)/t10-,11-,12+,16-,17+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C([C@@H]2O)Cl)CC[C@@H]4[C@@]3(C/C(=C\O)/C(=O)C4)C
InChI: InChI=1S/C21H29ClO3/c1-20-8-7-16-14(15(20)5-6-17(22)19(20)25)4-3-13-9-18(24)12(11-23)10-21(13,16)2/h6,11,13-16,19,23,25H,3-5,7-10H2,1-2H3/b12-11+/t13-,14-,15-,16-,19-,20-,21-/m0/s1
SMILES: COC1=CC=CC2=C1N[C@H]([C@@H]3[C@@H]2C=CC3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H18N2O3/c1-24-17-10-4-9-16-14-7-3-8-15(14)18(20-19(16)17)12-5-2-6-13(11-12)21(22)23/h2-7,9-11,14-15,18,20H,8H2,1H3/t14-,15-,18-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C24H33FN2O4/c1-15-5-4-6-21(16(15)2)26-22(28)17(3)31-24(30)19-11-13-27(14-12-19)23(29)18-7-9-20(25)10-8-18/h7-10,15-17,19,21H,4-6,11-14H2,1-3H3,(H,26,28)/t15-,16-,17-,21+/m1/s1
SMILES: CC1=C2[C@@H]3[C@@H](CC[C@]2(C=CC1=O)C)[C@@](C(=O)O3)(C)[Se]C4=CC=CC=C4
InChI: InChI=1S/C21H22O3Se/c1-13-16(22)10-12-20(2)11-9-15-18(17(13)20)24-19(23)21(15,3)25-14-7-5-4-6-8-14/h4-8,10,12,15,18H,9,11H2,1-3H3/t15-,18+,20+,21-/m1/s1
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=CC=CC=C6Cl
InChI: InChI=1S/C23H20ClN3O3/c1-12-8-9-15-13(11-12)23(22(30)25-15)19-18(17-7-4-10-26(17)23)20(28)27(21(19)29)16-6-3-2-5-14(16)24/h2-3,5-6,8-9,11,17-19H,4,7,10H2,1H3,(H,25,30)/t17-,18+,19-,23-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CSC3=NC4=C(N3)C=C(C=C4)OC)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=CC=C6)C
InChI: InChI=1S/C37H42N2O4S/c1-24-8-7-18-36(2)31(17-19-37(36,42)23-44-35-38-32-16-14-28(43-3)22-33(32)39-35)29-15-12-25(20-27(40)13-11-24)21-30(29)34(41)26-9-5-4-6-10-26/h4-6,8-10,12,14-16,21-22,27,31,40,42H,7,11,13,17-20,23H2,1-3H3,(H,38,39)/t27-,31-,36-,37+/m0/s1
SMILES: CN1CC[C@H]2[C@H](C1)CCCC2NC(=O)C3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C18H23F3N2O/c1-23-10-9-15-13(11-23)3-2-4-16(15)22-17(24)12-5-7-14(8-6-12)18(19,20)21/h5-8,13,15-16H,2-4,9-11H2,1H3,(H,22,24)/t13-,15-,16?/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC4=CC=CC=C43)C(=O)[C@]56CC[C@](C5(C)C)(C(=O)O6)C)O)C7=C(C=C(C[C@H](CC1)O)C=C7)C(=O)C8=CC=CC=C8)C
InChI: InChI=1S/C50H57NO6/c1-33-13-12-25-47(4)42(40-23-21-34(29-38(52)22-20-33)30-41(40)43(53)36-15-7-6-8-16-36)24-26-49(47,56)32-51(31-37-18-11-17-35-14-9-10-19-39(35)37)44(54)50-28-27-48(5,45(55)57-50)46(50,2)3/h6-11,13-19,21,23,30,38,42,52,56H,12,20,22,24-29,31-32H2,1-5H3/t38-,42-,47-,48-,49+,50+/m0/s1
SMILES: C1CCN2CCC[C@@H]([C@H]2C1)COC(=O)CC3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI: InChI=1S/C27H29NO4/c29-24(32-18-19-9-8-16-28-15-7-6-14-23(19)28)17-27(20-10-2-1-3-11-20)25(30)21-12-4-5-13-22(21)26(27)31/h1-5,10-13,19,23H,6-9,14-18H2/t19-,23-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)F)COC(=O)C(C)(C)C
InChI: InChI=1S/C17H25FO9/c1-8(19)24-12-11(7-23-16(22)17(4,5)6)27-15(18)14(26-10(3)21)13(12)25-9(2)20/h11-15H,7H2,1-6H3/t11-,12+,13+,14-,15-/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H](N1C(C2=CC=CC=C2)C3=CC=CC=C3)CO)O)O)O
InChI: InChI=1S/C19H23NO4/c21-12-15-18(23)19(24)16(22)11-20(15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-19,21-24H,11-12H2/t15-,16+,18-,19-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@H](O[C@H]1N2C3=NC(=NC=C3SC2=O)N)CO
InChI: InChI=1S/C12H14N4O5S/c1-5(18)20-7-2-6(4-17)21-10(7)16-9-8(22-12(16)19)3-14-11(13)15-9/h3,6-7,10,17H,2,4H2,1H3,(H2,13,14,15)/t6-,7+,10+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC3=NN=NN3C2=O)OC(=O)C
InChI: InChI=1S/C13H15N5O6/c1-7(19)22-6-10-9(23-8(2)20)5-12(24-10)17-4-3-11-14-15-16-18(11)13(17)21/h3-4,9-10,12H,5-6H2,1-2H3/t9-,10+,12+/m0/s1
SMILES: COC1=CC2=C(C=C1)C3=CC[C@H]4[C@]3(CC2)CN(C4)CC5=CC=CC=C5
InChI: InChI=1S/C23H25NO/c1-25-20-8-9-21-18(13-20)11-12-23-16-24(14-17-5-3-2-4-6-17)15-19(23)7-10-22(21)23/h2-6,8-10,13,19H,7,11-12,14-16H2,1H3/t19-,23+/m1/s1
SMILES: CC(=O)N[C@H]1[C@@H]([C@@H]([C@@H](O[C@@H]1O)COC)OC)OC
InChI: InChI=1S/C11H21NO6/c1-6(13)12-8-10(17-4)9(16-3)7(5-15-2)18-11(8)14/h7-11,14H,5H2,1-4H3,(H,12,13)/t7-,8-,9+,10-,11-/m0/s1
SMILES: CC1(O[C@H]([C@H]([C@@H](O1)COCC2=CC=CC=C2)O)CC3=CC=CC=C3)C
InChI: InChI=1S/C21H26O4/c1-21(2)24-18(13-16-9-5-3-6-10-16)20(22)19(25-21)15-23-14-17-11-7-4-8-12-17/h3-12,18-20,22H,13-15H2,1-2H3/t18-,19-,20+/m0/s1
SMILES: CN1[C@@H]2[C@@H]([C@@H](N1)C3=CC=CS3)C(=O)N(C2=O)CC4=CC=CC=C4
InChI: InChI=1S/C17H17N3O2S/c1-19-15-13(14(18-19)12-8-5-9-23-12)16(21)20(17(15)22)10-11-6-3-2-4-7-11/h2-9,13-15,18H,10H2,1H3/t13-,14+,15-/m1/s1
SMILES: CCN(CC)C(=O)NCCCC(C)(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=CC5=C(C=C4)OCO5
InChI: InChI=1S/C36H52N4O10S/c1-5-39(6-2)34(42)37-17-10-16-36(3,4)23-40(51(44,45)26-13-14-30-31(20-26)49-24-48-30)21-29(41)28(19-25-11-8-7-9-12-25)38-35(43)50-32-22-47-33-27(32)15-18-46-33/h7-9,11-14,20,27-29,32-33,41H,5-6,10,15-19,21-24H2,1-4H3,(H,37,42)(H,38,43)/t27-,28-,29+,32-,33+/m0/s1
SMILES: CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC=C(O3)C=C7)[N@+](CCC6=CC(=C5OC)OC)(C)[O-])OC)OC
InChI: InChI=1S/C38H42N2O7/c1-39-17-15-25-21-31(42-3)35(44-5)37-33(25)29(39)19-23-7-11-28(12-8-23)47-38-34-26(22-32(43-4)36(38)45-6)16-18-40(2,41)30(34)20-24-9-13-27(46-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-,40-/m1/s1
SMILES: C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CCC3=NNN=N3)C(=O)O
InChI: InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CCCC(=O)O)N2CC3=CC=C(C=C3)F
InChI: InChI=1S/C17H19FN2O5S2/c18-12-6-4-11(5-7-12)8-20-13-9-27(24,25)10-14(13)26-17(20)19-15(21)2-1-3-16(22)23/h4-7,13-14H,1-3,8-10H2,(H,22,23)/t13-,14+/m1/s1
SMILES: CC(=O)OC[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]2OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(41-15(5)33)25(42-16(6)34)28(46-19)47-24-22(40-14(4)32)20(10-38-12(2)30)45-27(44-18(8)36)26(24)43-17(7)35/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28+/m1/s1
SMILES: CN(CC=C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2CN3C=C(N=N3)C4=CCCC4
InChI: InChI=1S/C20H29N5O/c1-3-9-23(2)20(26)18-13-24-10-8-16(18)11-17(24)12-25-14-19(21-22-25)15-6-4-5-7-15/h3,6,14,16-18H,1,4-5,7-13H2,2H3/t16-,17-,18+/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3(C(=O)C[C@@]2([C@]1(C(=O)CCl)OC(=O)C(C)(C)C)C)F)C
InChI: InChI=1S/C27H34ClFO5/c1-15-11-19-18-8-7-16-12-17(30)9-10-24(16,5)26(18,29)20(31)13-25(19,6)27(15,21(32)14-28)34-22(33)23(2,3)4/h9-10,12,15,18-19H,7-8,11,13-14H2,1-6H3/t15-,18-,19-,24-,25-,26-,27-/m0/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C(=O)NC3=CC=CC=C3OC(F)F)C(=O)[O-]
InChI: InChI=1S/C16H15F2NO4/c17-16(18)23-11-4-2-1-3-10(11)19-14(20)12-8-5-6-9(7-8)13(12)15(21)22/h1-6,8-9,12-13,16H,7H2,(H,19,20)(H,21,22)/p-1/t8-,9+,12-,13+/m1/s1
SMILES: CC1=C[C@H]2[C@H](CC3(C[C@H]2[C@H](C)COCC4=CC=C(C=C4)OC)OCCO3)[C@@H](C1)[C@H](COS(=O)(=O)C5=CC=C(C=C5)C)C(C)C
InChI: InChI=1S/C36H50O7S/c1-24(2)35(23-43-44(37,38)30-13-7-25(3)8-14-30)32-18-26(4)17-31-33(19-36(20-34(31)32)41-15-16-42-36)27(5)21-40-22-28-9-11-29(39-6)12-10-28/h7-14,17,24,27,31-35H,15-16,18-23H2,1-6H3/t27-,31-,32-,33+,34+,35-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2C[NH+](CC3)C)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C20H22N2O/c1-14-8-9-18-16(12-14)17-13-21(2)11-10-19(17)22(18)20(23)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3/p+1/t17-,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)CO)O)O)O
InChI: InChI=1S/C12H20O10/c13-1-3-5(14)6(15)8(17)12(20-3)22-10-4-2-19-11(21-4)9(18)7(10)16/h3-18H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
SMILES: CCCN1C(=O)[C@@H]2[C@H](N(O[C@@H]2C1=O)C3=CC=CC=C3)C4=CC=NC=C4
InChI: InChI=1S/C19H19N3O3/c1-2-12-21-18(23)15-16(13-8-10-20-11-9-13)22(25-17(15)19(21)24)14-6-4-3-5-7-14/h3-11,15-17H,2,12H2,1H3/t15-,16-,17+/m1/s1
SMILES: C[C@H]1[C@@H](C[C@]2([C@H]([C@@H]([C@@H]([C@@H](O2)[C@H](C#C)OC)C)O[Si](C)(C)C(C)(C)C)C)O[C@@H]1C(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C31H60O5Si2/c1-18-24(32-13)28-22(5)27(36-38(16,17)30(10,11)12)23(6)31(34-28)19-25(21(4)26(33-31)20(2)3)35-37(14,15)29(7,8)9/h1,20-28H,19H2,2-17H3/t21-,22-,23-,24-,25+,26+,27+,28+,31-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC
InChI: InChI=1S/C21H27NO5/c1-14-6-4-5-7-18(14)22-20(24)15(2)27-19(23)13-10-16-8-11-17(12-9-16)21(25)26-3/h8-15,18H,4-7H2,1-3H3,(H,22,24)/b13-10+/t14-,15-,18-/m1/s1
SMILES: C[C@H]1CCC[C@@H](N1C)/C=C/[C@H]2[C@@H]3CCCC[C@@H]3C[C@H]4[C@@H]2[C@@H](OC4=O)C
InChI: InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18+,19-,20-,21+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@H](C)[NH+](C)CC(=O)NC2=C(C=CC=C2C)C
InChI: InChI=1S/C22H35N3O2/c1-14-9-8-12-19(17(14)4)23-22(27)18(5)25(6)13-20(26)24-21-15(2)10-7-11-16(21)3/h7,10-11,14,17-19H,8-9,12-13H2,1-6H3,(H,23,27)(H,24,26)/p+1/t14-,17-,18-,19+/m0/s1
SMILES: C[C@@H]1C[C@H]2C3C[C@@H](C4=CC(=O)C=C[C@@]4(C3[C@H](C[C@@]2([C@H]1C(=O)C(=O)O)C)O)C)F
InChI: InChI=1S/C22H27FO5/c1-10-6-13-12-8-15(23)14-7-11(24)4-5-21(14,2)18(12)16(25)9-22(13,3)17(10)19(26)20(27)28/h4-5,7,10,12-13,15-18,25H,6,8-9H2,1-3H3,(H,27,28)/t10-,12?,13+,15+,16+,17-,18?,21+,22+/m1/s1
SMILES: C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(C(=O)[C@]3(C(=O)C2C(=O)C4=C(C=CC(=C14)C5=CC=CC=C5)O)O)C(=O)N)N(C)C)O
InChI: InChI=1S/C28H28N2O8/c1-11-15-13(12-7-5-4-6-8-12)9-10-14(31)17(15)22(32)18-16(11)23(33)20-21(30(2)3)24(34)19(27(29)37)26(36)28(20,38)25(18)35/h4-11,16,18-21,23,31,33,38H,1-3H3,(H2,29,37)/t11-,16+,18?,19?,20+,21-,23-,28-/m0/s1
SMILES: C[C@@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CCC3(OCCO3)C
InChI: InChI=1S/C20H34O2/c1-15-8-9-16-17(7-6-10-18(16,2)3)19(15,4)11-12-20(5)21-13-14-22-20/h7,15-16H,6,8-14H2,1-5H3/t15-,16+,19+/m1/s1
SMILES: CN1[C@H]2C[C@H]([C@@H]([C@@H]1[C@H](C2)OC)C(=O)OC)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H23NO5/c1-19-12-9-13(24-17(20)11-7-5-4-6-8-11)15(18(21)23-3)16(19)14(10-12)22-2/h4-8,12-16H,9-10H2,1-3H3/t12-,13+,14-,15-,16-/m0/s1
SMILES: COC(=O)[C@H]1CCC=C[C@H]1N2[C@@H](COC2=O)C3=CC=CC=C3
InChI: InChI=1S/C17H19NO4/c1-21-16(19)13-9-5-6-10-14(13)18-15(11-22-17(18)20)12-7-3-2-4-8-12/h2-4,6-8,10,13-15H,5,9,11H2,1H3/t13-,14+,15-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@H]2CC[C@]4([C@H]3CC(=O)NC4=O)C)C
InChI: InChI=1S/C21H31NO4/c1-12(23)26-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(24)22-19(21)25/h13-17H,4-11H2,1-3H3,(H,22,24,25)/t13-,14-,15+,16+,17-,20-,21-/m0/s1
SMILES: CC1=C(C(=O)N(C1=O)[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2N=[N+]=[N-])COCC3=CC=CC=C3)O)OCC4=CC=CC=C4)C
InChI: InChI=1S/C26H28N4O6/c1-16-17(2)26(33)30(25(16)32)21-23(35-14-19-11-7-4-8-12-19)22(31)20(36-24(21)28-29-27)15-34-13-18-9-5-3-6-10-18/h3-12,20-24,31H,13-15H2,1-2H3/t20-,21-,22-,23-,24-/m1/s1
SMILES: C=C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)OC(=O)C5CC5
InChI: InChI=1S/C23H26N2O2/c1-2-15-14-25-12-10-17(15)13-21(25)22(27-23(26)16-7-8-16)19-9-11-24-20-6-4-3-5-18(19)20/h2-6,9,11,15-17,21-22H,1,7-8,10,12-14H2/p+1/t15-,17-,21+,22-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)N=[N+]=[N-]
InChI: InChI=1S/C17H17N5O5/c1-10-8-22(17(25)19-15(10)23)14-7-12(20-21-18)13(27-14)9-26-16(24)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3,(H,19,23,25)/t12-,13+,14?/m0/s1
SMILES: CC1=CC(=O)[C@@H]2C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C)[C@@H]([C@@]2(C1=O)C)C5=CC=C(C6=CC=CC=C56)O
InChI: InChI=1S/C27H25N3O5/c1-14-12-22(32)19-13-20-18(10-11-29-25(34)28(3)26(35)30(20)29)23(27(19,2)24(14)33)17-8-9-21(31)16-7-5-4-6-15(16)17/h4-10,12,19-20,23,31H,11,13H2,1-3H3/t19-,20+,23-,27+/m0/s1
SMILES: C[C@]12CCC3(CC1=CC[C@H]4[C@H]2CC[C@]5([C@@H]4CC[C@]56CO6)C)OCCO3
InChI: InChI=1S/C22H32O3/c1-19-9-10-22(23-11-12-24-22)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-21(20)14-25-21/h3,16-18H,4-14H2,1-2H3/t16-,17+,18+,19-,20-,21-/m0/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@@H]3CCCC[C@]3(CCN2C(=O)/C=C/C4=CC=CC=C4)O
InChI: InChI=1S/C25H29NO3/c1-29-22-13-6-5-11-20(22)24-21-12-7-8-16-25(21,28)17-18-26(24)23(27)15-14-19-9-3-2-4-10-19/h2-6,9-11,13-15,21,24,28H,7-8,12,16-18H2,1H3/b15-14+/t21-,24-,25+/m0/s1
SMILES: COC1=C(C=C2[C@H]3C[C@@H](CC[C@H]3N=C(C2=C1)C4=CC=C(C=C4)F)O)OCC(F)F
InChI: InChI=1S/C22H22F3NO3/c1-28-19-10-17-15(9-20(19)29-11-21(24)25)16-8-14(27)6-7-18(16)26-22(17)12-2-4-13(23)5-3-12/h2-5,9-10,14,16,18,21,27H,6-8,11H2,1H3/t14-,16-,18-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CN(C)CC(=O)NC2=CC(=CC=C2)OC
InChI: InChI=1S/C20H31N3O3/c1-14-7-5-10-18(15(14)2)22-20(25)13-23(3)12-19(24)21-16-8-6-9-17(11-16)26-4/h6,8-9,11,14-15,18H,5,7,10,12-13H2,1-4H3,(H,21,24)(H,22,25)/t14-,15+,18+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4=CC=NC=C4)CC=C5[C@@]3(CC[C@@H](C5)O)C
InChI: InChI=1S/C24H33NO/c1-23-11-7-18(26)15-17(23)3-4-19-21-6-5-20(16-9-13-25-14-10-16)24(21,2)12-8-22(19)23/h3,9-10,13-14,18-22,26H,4-8,11-12,15H2,1-2H3/t18-,19-,20+,21-,22-,23-,24+/m0/s1
SMILES: CC(=O)NCCO/N=C/1\CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC(=O)[C@@H]2C1)CCC4=O)C)C
InChI: InChI=1S/C23H34N2O4/c1-14(26)24-10-11-29-25-15-6-8-22(2)18-7-9-23(3)17(4-5-21(23)28)16(18)13-20(27)19(22)12-15/h16-19H,4-13H2,1-3H3,(H,24,26)/b25-15+/t16-,17-,18-,19-,22+,23-/m0/s1
SMILES: C[C@H]1CO[C@@]2(O1)[C@@]3([C@@]([C@@]3(C(=[NH+]2)N)C#N)(C)C4=CC=C(C=C4)C5=CC=CC=C5)C#N
InChI: InChI=1S/C23H20N4O2/c1-15-12-28-23(29-15)22(14-25)20(2,21(22,13-24)19(26)27-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,12H2,1-2H3,(H2,26,27)/p+1/t15-,20-,21-,22+,23+/m0/s1
SMILES: COC(=O)C1=C[C@@H]([C@H](N1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H20N2O4/c1-30-24(27)22-16-21(17-8-4-2-5-9-17)23(18-10-6-3-7-11-18)25(22)19-12-14-20(15-13-19)26(28)29/h2-16,21,23H,1H3/t21-,23-/m1/s1
SMILES: CN1[C@H]2CC[C@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12-,13-,14+/m0/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC=NC=C3)CC4=CC5=CC=CC=C5C=C4)CC6=CC=CC=C6)O)O
InChI: InChI=1S/C36H35N3O3/c40-34-32(22-26-9-3-1-4-10-26)38(24-28-17-19-37-20-18-28)36(42)39(33(35(34)41)23-27-11-5-2-6-12-27)25-29-15-16-30-13-7-8-14-31(30)21-29/h1-21,32-35,40-41H,22-25H2/t32-,33-,34+,35+/m1/s1
SMILES: CCCCNC(=O)[C@@H]1[C@H]([C@H](CN1C(=O)C2=CC(=CC=C2)N(C)C)O)O
InChI: InChI=1S/C18H27N3O4/c1-4-5-9-19-17(24)15-16(23)14(22)11-21(15)18(25)12-7-6-8-13(10-12)20(2)3/h6-8,10,14-16,22-23H,4-5,9,11H2,1-3H3,(H,19,24)/t14-,15-,16-/m0/s1
SMILES: C[C@]12C[C@@H]3[C@@H](O3)C[C@@H]1CC[C@@H]4[C@@H]2C(=O)C[C@]5([C@H]4CC[C@@H]5C6(OCCO6)CO)C
InChI: InChI=1S/C23H34O5/c1-21-11-18-17(28-18)9-13(21)3-4-14-15-5-6-19(23(12-24)26-7-8-27-23)22(15,2)10-16(25)20(14)21/h13-15,17-20,24H,3-12H2,1-2H3/t13-,14-,15-,17-,18+,19-,20+,21-,22-/m0/s1
SMILES: COC(=[W])[C@@H]1[C@H]([C@]1(CO)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H17ClO2.W/c1-21-11-16-17(13-7-9-15(19)10-8-13)18(16,12-20)14-5-3-2-4-6-14;/h2-10,16-17,20H,12H2,1H3;/t16-,17-,18-;/m1./s1
SMILES: C1CN(C[C@H]([C@@H]1C2=CC=CC=C2)CO)[C@@H](CO)C3=CC=CC=C3
InChI: InChI=1S/C20H25NO2/c22-14-18-13-21(20(15-23)17-9-5-2-6-10-17)12-11-19(18)16-7-3-1-4-8-16/h1-10,18-20,22-23H,11-15H2/t18-,19-,20-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C16H20N2O3/c1-12-6-2-4-8-14(12)17-16(19)11-10-13-7-3-5-9-15(13)18(20)21/h3,5,7,9-12,14H,2,4,6,8H2,1H3,(H,17,19)/b11-10+/t12-,14-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)P(=O)(O)OC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O
InChI: InChI=1S/C22H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(23)32(29,30)31-22-20(27)18(25)17(24)19(26)21(22)28/h17-22,24-28H,2-15H2,1H3,(H,29,30)/t17?,18-,19-,20-,21+,22?/m0/s1
SMILES: COC1=C(C=C(C=C1)C2(C[C@H]3CC(C[C@H]3C2)C(=O)OC)C#N)OC
InChI: InChI=1S/C19H23NO4/c1-22-16-5-4-15(8-17(16)23-2)19(11-20)9-13-6-12(18(21)24-3)7-14(13)10-19/h4-5,8,12-14H,6-7,9-10H2,1-3H3/t12?,13-,14+,19?