EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2.CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2OC
InChI: InChI=1S/C17H21NO2.C17H23NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2;1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h3-11,15,18H,12-13H2,1-2H3;5-8,10-12,15H,4,9,13H2,1-3H3/t;15-,17+/m.1/s1
SMILES: C1CN(CC[NH+]1CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C4=CC=CC(=C4)C(F)(F)F
InChI: InChI=1S/C20H22F3N3O2/c21-20(22,23)14-4-3-5-15(12-14)25-10-8-24(9-11-25)13-26-18(27)16-6-1-2-7-17(16)19(26)28/h1-5,12,16-17H,6-11,13H2/p+1/t16-,17+
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)/C(=C/C2=CC=CC=C2)/C#N
InChI: InChI=1S/C18H22N2O/c1-13-7-6-10-17(14(13)2)20-18(21)16(12-19)11-15-8-4-3-5-9-15/h3-5,8-9,11,13-14,17H,6-7,10H2,1-2H3,(H,20,21)/b16-11+/t13-,14-,17+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl
InChI: InChI=1S/C17H21ClN2O4/c18-14-10-13(20(22)23)7-8-16(14)24-11-17(21)19-9-3-5-12-4-1-2-6-15(12)19/h7-8,10,12,15H,1-6,9,11H2/t12-,15-/m0/s1
SMILES: CCNC(=O)NCC1=CC=C(C=C1)C2O[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CN5CCOCCOCCOCCOCCOCC5
InChI: InChI=1S/C40H55N3O9/c1-2-41-40(45)42-28-31-8-14-35(15-9-31)39-51-36(29-43-16-18-46-20-22-48-24-26-50-27-25-49-23-21-47-19-17-43)37(33-6-4-3-5-7-33)38(52-39)34-12-10-32(30-44)11-13-34/h3-15,36-39,44H,2,16-30H2,1H3,(H2,41,42,45)/t36-,37-,38+,39?/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@@H]2[C@@H]3CCCC[C@@]3(CCN2CC#N)O
InChI: InChI=1S/C19H26N2O3/c1-23-14-6-7-17(24-2)15(13-14)18-16-5-3-4-8-19(16,22)9-11-21(18)12-10-20/h6-7,13,16,18,22H,3-5,8-9,11-12H2,1-2H3/t16-,18+,19-/m0/s1
SMILES: CN1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@H]2C3=C(C(=CC=C3)OC)O)(CCSC)C(=O)O
InChI: InChI=1S/C18H22N2O6S/c1-20-15(22)11-12(16(20)23)18(17(24)25,7-8-27-3)19-13(11)9-5-4-6-10(26-2)14(9)21/h4-6,11-13,19,21H,7-8H2,1-3H3,(H,24,25)/t11-,12-,13-,18+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC5=C(C4)SC(=[N+]6CCCCC6)S5)C)C.F[P-](F)(F)(F)(F)F
InChI: InChI=1S/C33H54NS2.F6P/c1-22(2)10-9-11-23(3)26-14-15-27-25-13-12-24-20-29-30(36-31(35-29)34-18-7-6-8-19-34)21-33(24,5)28(25)16-17-32(26,27)4;1-7(2,3,4,5)6/h22-28H,6-21H2,1-5H3;/q+1;-1/t23-,24+,25+,26-,27+,28+,32-,33+;/m1./s1
SMILES: CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@@H]([C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C)NCC5=CC=CC=C5
InChI: InChI=1S/C33H44N2O8/c1-20(2)17-23(30(37)38-19-22-15-11-8-12-16-22)35-29(36)24(34-18-21-13-9-7-10-14-21)25-26-27(41-32(3,4)40-26)28-31(39-25)43-33(5,6)42-28/h7-16,20,23-28,31,34H,17-19H2,1-6H3,(H,35,36)/t23-,24+,25+,26-,27-,28+,31+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)[C@@H](C)OC(=O)CN2C(=CSC2=O)C
InChI: InChI=1S/C17H26N2O4S/c1-10-6-5-7-14(12(10)3)18-16(21)13(4)23-15(20)8-19-11(2)9-24-17(19)22/h9-10,12-14H,5-8H2,1-4H3,(H,18,21)/t10-,12-,13+,14-/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[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)O)C)CCCNCC3=NC=CN3)C)O)(C)O
InChI: InChI=1S/C36H67N5O9/c1-11-27-36(8,47)31(44)25(6)41(16-12-13-37-19-28-38-14-15-39-28)20-21(2)18-35(7,46)32(23(4)29(42)24(5)33(45)49-27)50-34-30(43)26(40(9)10)17-22(3)48-34/h14-15,21-27,29-32,34,37,42-44,46-47H,11-13,16-20H2,1-10H3,(H,38,39)/t21-,22-,23+,24-,25-,26+,27-,29+,30-,31-,32-,34+,35-,36-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H](C(=C(C[C@@]1(C)O)NC2=CC=CC=C2)C(=O)OCC)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C25H28ClNO5/c1-4-31-23(28)21-19(27-18-9-7-6-8-10-18)15-25(3,30)22(24(29)32-5-2)20(21)16-11-13-17(26)14-12-16/h6-14,20,22,27,30H,4-5,15H2,1-3H3/t20-,22+,25+/m0/s1
SMILES: CCCCOC1=C(C=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4OC)ON2C5=CC=CC=C5)OCC
InChI: InChI=1S/C30H32N2O6/c1-4-6-18-37-24-17-16-20(19-25(24)36-5-2)27-26-28(38-32(27)21-12-8-7-9-13-21)30(34)31(29(26)33)22-14-10-11-15-23(22)35-3/h7-17,19,26-28H,4-6,18H2,1-3H3/t26-,27-,28-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)CC(=O)OC(C)(C)C)[C@H](C)C(=O)SC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H41NO5SSi/c1-17(24(30)33-19-14-12-11-13-15-19)22-21(18(2)32-34(9,10)26(6,7)8)23(29)27(22)16-20(28)31-25(3,4)5/h11-15,17-18,21-22H,16H2,1-10H3/t17-,18+,21+,22+/m0/s1
SMILES: CC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C
InChI: InChI=1S/C15H21NO6/c1-8-3-5-10(6-4-8)21-15-12(16-9(2)18)14(20)13(19)11(7-17)22-15/h3-6,11-15,17,19-20H,7H2,1-2H3,(H,16,18)/t11-,12-,13-,14-,15-/m1/s1
SMILES: C1=CC=C(C=C1)/C=C/C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C17H18N2O6/c20-9-12-13(21)14(22)16(25-12)19-8-11(15(23)18-17(19)24)7-6-10-4-2-1-3-5-10/h1-8,12-14,16,20-22H,9H2,(H,18,23,24)/b7-6+/t12-,13-,14-,16-/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C=CC5=CC(=C(C=C5)O)OC)C6=CC=CC=C6)C7=CC(=CC=C7)Cl
InChI: InChI=1S/C39H37ClN2O6/c1-38(2,3)42-34(44)27-16-15-26-28(33(27)36(42)46)21-30-35(45)41(25-12-8-11-24(40)20-25)37(47)39(30,23-9-6-5-7-10-23)29(26)17-13-22-14-18-31(43)32(19-22)48-4/h5-15,17-20,27-30,33,43H,16,21H2,1-4H3/t27-,28+,29-,30-,33-,39-/m0/s1
SMILES: CC1(OC[C@H](O1)[C@H]([C@@H](C#CC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)OCC7=CC=CC=C7)C
InChI: InChI=1S/C51H56O9/c1-51(2)58-37-46(60-51)47(54-32-39-21-10-4-11-22-39)43(52)29-18-30-44-48(55-33-40-23-12-5-13-24-40)50(57-35-42-27-16-7-17-28-42)49(56-34-41-25-14-6-15-26-41)45(59-44)36-53-31-38-19-8-3-9-20-38/h3-17,19-28,43-50,52H,30-37H2,1-2H3/t43-,44+,45-,46+,47+,48+,49-,50-/m1/s1
SMILES: CC(=O)O[C@H]1C=CO[C@H]2[C@H]1O[C@@H](OC2)C3=CC=CC=C3
InChI: InChI=1S/C15H16O5/c1-10(16)19-12-7-8-17-13-9-18-15(20-14(12)13)11-5-3-2-4-6-11/h2-8,12-15H,9H2,1H3/t12-,13+,14-,15+/m0/s1
SMILES: CCNC(=O)NCC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CSC4=CC=CC=N4
InChI: InChI=1S/C28H33N3O4S/c1-3-29-28(33)31-16-20-7-13-23(14-8-20)27-34-24(18-36-25-6-4-5-15-30-25)19(2)26(35-27)22-11-9-21(17-32)10-12-22/h4-15,19,24,26-27,32H,3,16-18H2,1-2H3,(H2,29,31,33)/t19-,24+,26+,27+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C(=CC(=C6)Br)OC)O)C(=O)N(C5=O)C7=CC=CC=C7)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C40H32BrCl2N3O7/c1-52-24-11-8-20(9-12-24)40-29(37(49)46(39(40)51)44-31-15-10-22(42)18-30(31)43)19-27-25(34(40)28-16-21(41)17-32(53-2)35(28)47)13-14-26-33(27)38(50)45(36(26)48)23-6-4-3-5-7-23/h3-13,15-18,26-27,29,33-34,44,47H,14,19H2,1-2H3/t26-,27+,29-,33-,34+,40+/m0/s1
SMILES: CCCC1CCC(NCC1)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C3CC3
InChI: InChI=1S/C20H36N2O5S/c1-3-4-11-5-8-13(21-10-9-11)19(26)22-14(12-6-7-12)18-16(24)15(23)17(25)20(27-18)28-2/h11-18,20-21,23-25H,3-10H2,1-2H3,(H,22,26)/t11?,13?,14?,15-,16+,17+,18+,20+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)[C@H](CC(=C)C)O
InChI: InChI=1S/C26H40O2/c1-16(2)14-24(28)17(3)21-8-9-22-20-7-6-18-15-19(27)10-12-25(18,4)23(20)11-13-26(21,22)5/h15,17,20-24,28H,1,6-14H2,2-5H3/t17-,20-,21+,22-,23-,24-,25-,26+/m0/s1
SMILES: CCC[C@@H](C(=O)N(CCC)CCC)N1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C30H40N2O6/c1-5-8-24(29(33)31(15-6-2)16-7-3)32-18-23(21-11-14-25-26(17-21)38-19-37-25)27(30(34)35)28(32)20-9-12-22(36-4)13-10-20/h9-14,17,23-24,27-28H,5-8,15-16,18-19H2,1-4H3,(H,34,35)/t23-,24+,27-,28+/m1/s1
SMILES: CC(=O)NC1=CC(=CC=C1)S[C@]23CCC4(C[C@@]2(CC[C@@H]5C3=CC[C@]6([C@H]5CC[C@@H]6OC(=O)C)C)O)OCC(CO4)(C)C
InChI: InChI=1S/C33H45NO6S/c1-21(35)34-23-7-6-8-24(17-23)41-33-16-15-32(38-19-29(3,4)20-39-32)18-31(33,37)14-11-25-26-9-10-28(40-22(2)36)30(26,5)13-12-27(25)33/h6-8,12,17,25-26,28,37H,9-11,13-16,18-20H2,1-5H3,(H,34,35)/t25-,26-,28-,30-,31+,33-/m0/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F)O
InChI: InChI=1S/C45H33F6NO5/c1-2-10-25-13-9-16-32(39(25)54)38-30-17-18-31-37(42(57)52(41(31)56)29-20-27(44(46,47)48)19-28(21-29)45(49,50)51)34(30)22-35-40(55)33(24-11-5-3-6-12-24)23-36(53)43(35,38)26-14-7-4-8-15-26/h2-9,11-17,19-21,23,31,34-35,37-38,54H,1,10,18,22H2/t31-,34+,35-,37-,38+,43-/m0/s1
SMILES: C[C@@]12CC(=O)[C@@H]3[C@@]1(CC[C@@H]2O[Si](C)(C)C(C)(C)C)CCC34OCCO4
InChI: InChI=1S/C20H34O4Si/c1-17(2,3)25(5,6)24-15-7-8-19-9-10-20(22-11-12-23-20)16(19)14(21)13-18(15,19)4/h15-16H,7-13H2,1-6H3/t15-,16+,18-,19+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C5=NC6=CC=CC=C6C(=O)O5
InChI: InChI=1S/C23H16N2O4/c26-21-18-13-5-6-14(11-13)19(18)22(27)25(21)15-9-7-12(8-10-15)20-24-17-4-2-1-3-16(17)23(28)29-20/h1-10,13-14,18-19H,11H2/t13-,14+,18+,19-
SMILES: C1[C@H]2C=C[C@@H]1[C@@]3([C@H]2[C@H](OCC3=O)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C25H22O6/c26-21-15-29-20(14-30-23(27)16-7-3-1-4-8-16)22-18-11-12-19(13-18)25(21,22)31-24(28)17-9-5-2-6-10-17/h1-12,18-20,22H,13-15H2/t18-,19+,20-,22-,25-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=CC=C5O)C(=O)N(C4=O)C6=CC=CC=C6)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C33H26ClFN2O5/c1-33-23(30(40)37(32(33)42)18-11-14-25(35)24(34)15-18)16-22-19(28(33)20-9-5-6-10-26(20)38)12-13-21-27(22)31(41)36(29(21)39)17-7-3-2-4-8-17/h2-12,14-15,21-23,27-28,38H,13,16H2,1H3/t21-,22+,23-,27-,28+,33+/m0/s1
SMILES: CCOC(=O)C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H24ClN3O4/c1-2-27-17(24)11-16-18(25)22-14-5-3-4-6-15(14)23(16)19(26)21-13-9-7-12(20)8-10-13/h7-10,14-16H,2-6,11H2,1H3,(H,21,26)(H,22,25)/t14-,15+,16+/m1/s1
SMILES: COC(=O)C1=CC=CC2=C1N[C@H]([C@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H18ClNO2/c1-24-20(23)17-7-3-6-16-14-4-2-5-15(14)18(22-19(16)17)12-8-10-13(21)11-9-12/h2-4,6-11,14-15,18,22H,5H2,1H3/t14-,15+,18-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](CC[NH2+]1)C3=C(N2C)C=C(C=C3)OC
InChI: InChI=1S/C14H20N2O/c1-9-14-12(6-7-15-9)11-5-4-10(17-3)8-13(11)16(14)2/h4-5,8-9,12,14-15H,6-7H2,1-3H3/p+1/t9-,12-,14-/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(C)[C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC(=O)NCC)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C44H69N3O8/c1-6-9-10-11-12-13-14-15-16-23-40(50)47(4)39-31-37(46-52-5)35-29-32(21-17-19-26-48)34(22-18-20-27-49)41-36-30-33(54-43(51)45-8-3)24-25-38(36)55-44(39,42(35)41)53-28-7-2/h7,24-25,29-30,32,34,39,41-42,48-49H,2,6,8-23,26-28,31H2,1,3-5H3,(H,45,51)/t32-,34+,39-,41+,42+,44+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=CC(=CC=C3)F
InChI: InChI=1S/C19H22FN3O5/c1-12-5-2-3-8-19(12)17(26)23(18(27)22-19)10-16(25)28-11-15(24)21-14-7-4-6-13(20)9-14/h4,6-7,9,12H,2-3,5,8,10-11H2,1H3,(H,21,24)(H,22,27)/t12-,19-/m0/s1
SMILES: C1CC1CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CCCCCO)CC3=CC=CC=C3)O)O)CC4=CC=CC=C4
InChI: InChI=1S/C28H38N2O4/c31-17-9-3-8-16-29-24(18-21-10-4-1-5-11-21)26(32)27(33)25(19-22-12-6-2-7-13-22)30(28(29)34)20-23-14-15-23/h1-2,4-7,10-13,23-27,31-33H,3,8-9,14-20H2/t24-,25-,26+,27+/m1/s1
SMILES: C1C[C@@H](N(C1)C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC(=CC=C6)C=COCCO)OC(O5)(C7CC7)C8CC8)C(=O)NCCO
InChI: InChI=1S/C34H43N3O10/c38-13-11-35-30(40)24-5-2-12-36(24)32(42)33-18-25-26-27(46-34(45-26,22-6-7-22)23-8-9-23)29(33)47-37(28(33)31(41)44-25)19-21-4-1-3-20(17-21)10-15-43-16-14-39/h1,3-4,10,15,17,22-29,38-39H,2,5-9,11-14,16,18-19H2,(H,35,40)/t24-,25-,26+,27+,28+,29-,33+/m1/s1
SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N=C2[C@H]3C=CC=C4[C@@H]3C(=CC=C4)C2=NC5=C(C=CC=C5C(C)C)C(C)C
InChI: InChI=1S/C36H42N2/c1-21(2)26-15-11-16-27(22(3)4)33(26)37-35-30-19-9-13-25-14-10-20-31(32(25)30)36(35)38-34-28(23(5)6)17-12-18-29(34)24(7)8/h9-24,30,32H,1-8H3/t30-,32-/m0/s1
SMILES: CC(=O)OC[C@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H19N5O7/c1-7(22)25-4-10-12(26-8(2)23)13(27-9(3)24)16(28-10)21-6-20-11-14(17)18-5-19-15(11)21/h5-6,10,12-13,16H,4H2,1-3H3,(H2,17,18,19)/t10-,12-,13-,16+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(OC(C)(C)C)F)N=[N+]=[N-]
InChI: InChI=1S/C14H21FN5O5P/c1-8-6-20(13(22)17-12(8)21)11-5-9(18-19-16)10(24-11)7-23-26(15)25-14(2,3)4/h6,9-11H,5,7H2,1-4H3,(H,17,21,22)/t9-,10+,11+,26?/m0/s1
SMILES: C[C@]12CCC(C[C@@H]1C=C[C@@H]3[C@H]2C(=O)CC(C3)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC
InChI: InChI=1S/C23H30O9/c1-21-8-9-22(17(25)29-2,18(26)30-3)11-14(21)7-6-13-10-23(19(27)31-4,20(28)32-5)12-15(24)16(13)21/h6-7,13-14,16H,8-12H2,1-5H3/t13-,14-,16-,21-/m0/s1
SMILES: C1CP(=O)([C@H]2[C@@H]1O2)C3=CC=CC(=C3)[N+](=O)[O-]
InChI: InChI=1S/C10H10NO4P/c12-11(13)7-2-1-3-8(6-7)16(14)5-4-9-10(16)15-9/h1-3,6,9-10H,4-5H2/t9-,10+,16?/m1/s1
SMILES: CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2)C3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C17H21F3N2O3S/c1-26(24,25)22(14-4-2-3-13(9-14)17(18,19)20)10-16(23)21-15-8-11-5-6-12(15)7-11/h2-4,9,11-12,15H,5-8,10H2,1H3,(H,21,23)/t11-,12+,15-/m1/s1
SMILES: COC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OCC7=CC=CC=C7F)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C50H55F2N3O10/c1-3-26-63-50-46(54(49(58)61-2)30-33-14-18-37(51)19-15-33)29-44(53-64-31-34-16-20-38(21-17-34)55(59)60)41-27-35(10-6-8-24-56)40(12-7-9-25-57)47(48(41)50)42-28-39(22-23-45(42)65-50)62-32-36-11-4-5-13-43(36)52/h3-5,11,13-23,27-28,35,40,46-48,56-57H,1,6-10,12,24-26,29-32H2,2H3/t35-,40+,46-,47+,48+,50+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(CC2=CC=C(C=C2)OC(F)(F)F)C[C@@]3(CC[C@@H]4[C@@]3(CCC=C(CC[C@@H](CC5=CC(=C4C=C5)C(=O)C6=CC7=CC=CC=C7S6)O)C)C)O)C(C)C
InChI: InChI=1S/C50H60F3NO6S/c1-31(2)39-20-13-33(4)25-43(39)59-47(57)54(29-34-14-18-38(19-15-34)60-50(51,52)53)30-49(58)24-22-42-40-21-16-35(26-37(55)17-12-32(3)9-8-23-48(42,49)5)27-41(40)46(56)45-28-36-10-6-7-11-44(36)61-45/h6-7,9-11,14-16,18-19,21,27-28,31,33,37,39,42-43,55,58H,8,12-13,17,20,22-26,29-30H2,1-5H3/t33-,37-,39+,42-,43-,48-,49+/m0/s1
SMILES: COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C2=CC(=C(C=C2)C#C)CC3CCC(CC3)OC)O)O)O
InChI: InChI=1S/C23H32O6/c1-4-15-7-8-16(12-17(15)11-14-5-9-18(28-3)10-6-14)23-22(26)21(25)20(24)19(29-23)13-27-2/h1,7-8,12,14,18-26H,5-6,9-11,13H2,2-3H3/t14?,18?,19-,20-,21+,22-,23+/m1/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@@H]1[C@@H]([C@@H](O[C@@H](O1)C2=CC=C(C=C2)CNC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)CO)C
InChI: InChI=1S/C49H67N3O5/c1-4-6-8-10-12-17-33-52(34-18-13-11-9-7-5-2)36-46-38(3)47(41-25-23-40(37-53)24-26-41)57-48(56-46)42-27-21-39(22-28-42)35-50-49(54)51-43-29-31-45(32-30-43)55-44-19-15-14-16-20-44/h14-16,19-32,38,46-48,53H,4-13,17-18,33-37H2,1-3H3,(H2,50,51,54)/t38-,46+,47+,48+/m0/s1
SMILES: CC(=O)OCC[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)O)(C)C)C
InChI: InChI=1S/C18H32O3/c1-13(19)21-12-8-15-17(4)10-6-9-16(2,3)14(17)7-11-18(15,5)20/h14-15,20H,6-12H2,1-5H3/t14-,15+,17-,18+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)C[NH+](C)CC(=O)NC2CC2
InChI: InChI=1S/C16H29N3O2/c1-11-5-4-6-14(12(11)2)18-16(21)10-19(3)9-15(20)17-13-7-8-13/h11-14H,4-10H2,1-3H3,(H,17,20)(H,18,21)/p+1/t11-,12-,14-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC
InChI: InChI=1S/C21H30N2O5S/c1-15-7-3-5-9-18(15)22-20(24)16-11-13-23(14-12-16)29(26,27)19-10-6-4-8-17(19)21(25)28-2/h4,6,8,10,15-16,18H,3,5,7,9,11-14H2,1-2H3,(H,22,24)/t15-,18+/m1/s1
SMILES: CCOC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)[N+](=O)[O-]
InChI: InChI=1S/C19H26N2O6/c1-4-26-17-10-9-14(11-16(17)21(24)25)19(23)27-13(3)18(22)20-15-8-6-5-7-12(15)2/h9-13,15H,4-8H2,1-3H3,(H,20,22)/t12-,13-,15+/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@@H]3CCC[C@]([C@@H]3CC2)(C)C(=O)O
InChI: InChI=1S/C19H26O2/c1-12(2)13-6-8-15-14(11-13)7-9-17-16(15)5-4-10-19(17,3)18(20)21/h6,8,11-12,16-17H,4-5,7,9-10H2,1-3H3,(H,20,21)/t16-,17+,19-/m0/s1
SMILES: [H][C@]1([C@@H]([C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C(C1=O)([2H])[2H])CC[C@@H]4[C@H](C)CCCC(C)C)C)C)OC)[2H]
InChI: InChI=1S/C28H48O2/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-20-16-21(29)17-26(30-6)28(20,5)25(22)14-15-27(23,24)4/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27-,28+/m1/s1/i16D2,17D/t17-,19+,20+,22-,23+,24-,25-,26-,27+,28-/m0
SMILES: CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CCC(C4(C)C)O)CO)C)C)O)O
InChI: InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23?,26+,29+,30-,31+,32+/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N[C@@H](C)CCCC(C)C
InChI: InChI=1S/C19H33N3O3/c1-13(2)8-7-10-15(4)20-16(23)12-22-17(24)19(21-18(22)25)11-6-5-9-14(19)3/h13-15H,5-12H2,1-4H3,(H,20,23)(H,21,25)/t14-,15+,19+/m1/s1
SMILES: CC(C)[C@@H]1[C@@H](C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)NC5=CC(=CC=C5)Br
InChI: InChI=1S/C26H24BrNO/c1-15(2)22-23-18-10-3-5-12-20(18)24(21-13-6-4-11-19(21)23)25(22)26(29)28-17-9-7-8-16(27)14-17/h3-15,22-25H,1-2H3,(H,28,29)/t22-,23?,24?,25-/m0/s1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=NC=CC(=C6)Cl
InChI: InChI=1S/C23H15ClN2O2/c24-12-9-10-25-17(11-12)26-22(27)20-18-13-5-1-2-6-14(13)19(21(20)23(26)28)16-8-4-3-7-15(16)18/h1-11,18-21H/t18?,19?,20-,21-/m1/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN(C)C4CCN(CC4)C
InChI: InChI=1S/C22H36N2O2/c1-15-6-5-9-22(2)13-20-17(12-19(15)22)18(21(25)26-20)14-24(4)16-7-10-23(3)11-8-16/h16-20H,1,5-14H2,2-4H3/t17-,18-,19+,20-,22-/m1/s1
SMILES: CC(C)NC(=O)O[C@@H]1CC[C@@]2([C@@H]([C@]1(C)CO)CC[C@H]([C@H]2CC(=O)NCC3=CC=C(C=C3)F)O)C
InChI: InChI=1S/C26H39FN2O5/c1-16(2)29-24(33)34-22-11-12-25(3)19(20(31)9-10-21(25)26(22,4)15-30)13-23(32)28-14-17-5-7-18(27)8-6-17/h5-8,16,19-22,30-31H,9-15H2,1-4H3,(H,28,32)(H,29,33)/t19-,20-,21+,22-,25+,26+/m1/s1
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)O
InChI: InChI=1S/C25H32O15/c1-9-4-16(27)38-13-5-10(2-3-11(9)13)37-23-21(32)18(29)14(7-35-23)40-25-22(33)19(30)15(8-36-25)39-24-20(31)17(28)12(26)6-34-24/h2-5,12,14-15,17-26,28-33H,6-8H2,1H3/t12-,14-,15-,17+,18+,19+,20-,21-,22-,23+,24+,25+/m1/s1
SMILES: CCC1=CC=CC=C1NC(=O)CN(C)CC(=O)N[C@@H]2CCCC[C@@H]2C
InChI: InChI=1S/C20H31N3O2/c1-4-16-10-6-8-12-18(16)22-20(25)14-23(3)13-19(24)21-17-11-7-5-9-15(17)2/h6,8,10,12,15,17H,4-5,7,9,11,13-14H2,1-3H3,(H,21,24)(H,22,25)/t15-,17+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)[N+](=O)[O-])O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C17H23NO12/c19-5-9-11(20)13(22)15(24)17(29-9)30-10-6-27-16(14(23)12(10)21)28-8-3-1-7(2-4-8)18(25)26/h1-4,9-17,19-24H,5-6H2/t9-,10-,11+,12+,13+,14-,15-,16+,17+/m1/s1
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2N=CN=C3Cl)O)O)CF
InChI: InChI=1S/C11H12ClFN4O2/c12-10-7-11(15-3-14-10)17(4-16-7)6-1-5(2-13)8(18)9(6)19/h3-6,8-9,18-19H,1-2H2/t5-,6-,8-,9+/m1/s1
SMILES: C1CC1N2C3=NC(=C(C=C3C(=O)N(C2=O)N)F)N4C[C@@H]([C@@H](C4)CO)CO
InChI: InChI=1S/C16H20FN5O4/c17-12-3-11-13(21(10-1-2-10)16(26)22(18)15(11)25)19-14(12)20-4-8(6-23)9(5-20)7-24/h3,8-10,23-24H,1-2,4-7,18H2/t8-,9+
SMILES: C1[C@@H]2[C@H]([C@H](C3=C1NC4=CC=CC=C43)C5=CC=CC=C5[N+](=O)[O-])C(=O)NC2=O
InChI: InChI=1S/C20H15N3O4/c24-19-12-9-14-16(10-5-1-3-7-13(10)21-14)17(18(12)20(25)22-19)11-6-2-4-8-15(11)23(26)27/h1-8,12,17-18,21H,9H2,(H,22,24,25)/t12-,17+,18-/m1/s1
SMILES: C[C@H](C(=O)OCC(=O)NC1=CC=C(C=C1)OC)N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C21H24N2O6/c1-11(23-19(25)17-12-3-4-13(9-12)18(17)20(23)26)21(27)29-10-16(24)22-14-5-7-15(28-2)8-6-14/h5-8,11-13,17-18H,3-4,9-10H2,1-2H3,(H,22,24)/t11-,12-,13+,17-,18+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H](C(=C)[C@H](O1)[C@H](C#C[Si](C)(C)C)O)O)O
InChI: InChI=1S/C13H22O5Si/c1-8-10(15)11(16)13(17-2)18-12(8)9(14)6-7-19(3,4)5/h9-16H,1H2,2-5H3/t9-,10-,11+,12-,13-/m0/s1
SMILES: CCOC(=O)C1=C(NC(=O)N[C@H]1[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C18H28N2O12/c1-2-30-17(28)7-8(15-13(26)11(24)6(4-22)32-15)19-18(29)20-9(7)16-14(27)12(25)10(23)5(3-21)31-16/h5-6,9-16,21-27H,2-4H2,1H3,(H2,19,20,29)/t5-,6-,9-,10-,11-,12+,13-,14+,15+,16+/m1/s1
SMILES: CCSCC1CCO[C@@]2(C1(O[C@@]([C@@H]2O)(C)CO)O)NC(=O)C(=O)NCCCC[C@@H](C(=O)NC)NC(=O)C
InChI: InChI=1S/C23H40N4O9S/c1-5-37-12-15-9-11-35-22(20(33)21(3,13-28)36-23(15,22)34)27-19(32)18(31)25-10-7-6-8-16(17(30)24-4)26-14(2)29/h15-16,20,28,33-34H,5-13H2,1-4H3,(H,24,30)(H,25,31)(H,26,29)(H,27,32)/t15?,16-,20-,21-,22-,23?/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2C[NH+](CC3)C)CC(=O)N(C)C4=CC=CC=C4
InChI: InChI=1S/C22H27N3O/c1-16-9-10-20-18(13-16)19-14-23(2)12-11-21(19)25(20)15-22(26)24(3)17-7-5-4-6-8-17/h4-10,13,19,21H,11-12,14-15H2,1-3H3/p+1/t19-,21-/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CCC(=O)C6)C)C)C)OC1
InChI: InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24H,5-15H2,1-4H3/t16-,17+,18+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
SMILES: C[C@@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C25H36O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-19,23H,5-13H2,1-4H3/t14-,15-,17+,18-,19-,23+,24-,25+/m0/s1
SMILES: CCOC(=O)[C@@H]1CC2C[C@@]34CC(C1=O)C[C@]3(C2)OC(O4)(C)C
InChI: InChI=1S/C17H24O5/c1-4-20-14(19)12-5-10-6-16-8-11(13(12)18)9-17(16,7-10)22-15(2,3)21-16/h10-12H,4-9H2,1-3H3/t10?,11?,12-,16-,17+/m1/s1
SMILES: C[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1O)C)C(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)COC(=O)C
InChI: InChI=1S/C27H49N3O9Si/c1-14(2)20-24(34)30-21(17(5)39-40(10,11)27(7,8)9)25(35)28-19(13-37-18(6)31)26(36)38-12-15(3)22(32)16(4)23(33)29-20/h14-17,19-22,32H,12-13H2,1-11H3,(H,28,35)(H,29,33)(H,30,34)/t15-,16+,17+,19-,20-,21-,22+/m0/s1
SMILES: C1OC[C@@H]2[C@@H]1[C@@](C([C@]2(CC3=CC=CC=C3)C/C=C/C4=CC=CC=C4)O)(CC5=CC=CC=C5)C/C=C/C6=CC=CC=C6
InChI: InChI=1S/C39H40O2/c40-37-38(27-33-19-9-3-10-20-33,25-13-23-31-15-5-1-6-16-31)35-29-41-30-36(35)39(37,28-34-21-11-4-12-22-34)26-14-24-32-17-7-2-8-18-32/h1-24,35-37,40H,25-30H2/b23-13+,24-14+/t35-,36-,38+,39+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC=C(C=C2)OC(F)(F)F
InChI: InChI=1S/C17H22F3N3O2S/c1-10-4-3-5-14(11(10)2)21-16(26)23-22-15(24)12-6-8-13(9-7-12)25-17(18,19)20/h6-11,14H,3-5H2,1-2H3,(H,22,24)(H2,21,23,26)/t10-,11-,14-/m1/s1
SMILES: CC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)F)CCC4=CC(=C(C=C34)CCC5=CC=CC=C5)O
InChI: InChI=1S/C27H31FO2/c1-2-27-13-12-20-21(23(27)16-24(28)26(27)30)11-10-18-15-25(29)19(14-22(18)20)9-8-17-6-4-3-5-7-17/h3-7,14-15,20-21,23-24,29H,2,8-13,16H2,1H3/t20-,21+,23-,24+,27-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H]2C(=C(C(=O)O2)P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6)C(C)C
InChI: InChI=1S/C38H40O3P2/c1-27(2)33-25-24-28(3)26-34(33)40-38-36(43(31-20-12-6-13-21-31)32-22-14-7-15-23-32)35(37(39)41-38)42(29-16-8-4-9-17-29)30-18-10-5-11-19-30/h4-23,27-28,33-34,38H,24-26H2,1-3H3/t28-,33+,34-,38+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI: InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h12,20-23,25-26,31H,9-11,13-19H2,1-8H3/t21-,22+,23+,25?,26+,28-,29+,30-/m1/s1
SMILES: CC1=C2C(=CC=C1)C3=C(N2CC4=CC=CC=C4)[C@H]5[C@@]67CCN([C@@H]([C@@]6(C3)O)CC8=C7C(=C(C=C8)O)O5)CC9CC9
InChI: InChI=1S/C34H34N2O3/c1-20-6-5-9-24-25-17-34(38)27-16-23-12-13-26(37)31-28(23)33(34,14-15-35(27)18-22-10-11-22)32(39-31)30(25)36(29(20)24)19-21-7-3-2-4-8-21/h2-9,12-13,22,27,32,37-38H,10-11,14-19H2,1H3/t27-,32+,33+,34-/m1/s1
SMILES: C[C@H]1[C@H]2[C@H](CC3[C@@]2([C@@H](C(=O)C4C3CC[C@@H]5[C@@]4(CC[C@@H](C5)OC(=O)C)C)OC(=O)C)C)O[C@]16CCC(CO6)C
InChI: InChI=1S/C31H46O7/c1-16-9-12-31(35-15-16)17(2)25-24(38-31)14-23-22-8-7-20-13-21(36-18(3)32)10-11-29(20,5)26(22)27(34)28(30(23,25)6)37-19(4)33/h16-17,20-26,28H,7-15H2,1-6H3/t16?,17-,20-,21-,22?,23?,24-,25-,26?,28+,29-,30-,31+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CI)O)F
InChI: InChI=1S/C11H15FIN2O6P/c1-6-3-15(11(17)14-10(6)16)9-2-7(12)8(21-9)4-20-22(18,19)5-13/h3,7-9H,2,4-5H2,1H3,(H,18,19)(H,14,16,17)/t7-,8+,9+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)CC(=O)O[C@@H]5C[C@H](O[C@H]5N6C=NC7=C(N=CN=C76)N)CO)C
InChI: InChI=1S/C24H28N10O7/c1-24(2)40-16-11(39-23(17(16)41-24)34-9-32-15-19(26)28-7-30-21(15)34)4-13(36)38-12-3-10(5-35)37-22(12)33-8-31-14-18(25)27-6-29-20(14)33/h6-12,16-17,22-23,35H,3-5H2,1-2H3,(H2,25,27,29)(H2,26,28,30)/t10-,11+,12+,16+,17+,22+,23+/m0/s1