EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@H]4C[C@H]5[C@H](C[C@H]([C@@H]([C@H]5C(=O)OBr)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC)CN4CC3
InChI: InChI=1S/C33H39BrN2O9/c1-35-23-14-19(39-2)7-8-20(23)21-9-10-36-16-18-13-27(31(43-6)28(33(38)45-34)22(18)15-24(36)29(21)35)44-32(37)17-11-25(40-3)30(42-5)26(12-17)41-4/h7-8,11-12,14,18,22,24,27-28,31H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
SMILES: C/C=C\[C@H](C)/C=C(\C)/[C@H]([C@@H](CO)[C@@H]1[C@@H](CO[C@@H](O1)C2=CC(=C(C=C2)OC)OC)C)O
InChI: InChI=1S/C24H36O6/c1-7-8-15(2)11-16(3)22(26)19(13-25)23-17(4)14-29-24(30-23)18-9-10-20(27-5)21(12-18)28-6/h7-12,15,17,19,22-26H,13-14H2,1-6H3/b8-7-,16-11+/t15-,17+,19+,22+,23-,24-/m0/s1
SMILES: C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@H](C4)C(=O)O)C)CO
InChI: InChI=1S/C20H32O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h13-16,21H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15-,16+,18+,19-,20+/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)C(C[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCO[C@@H]1C[C@@H](CC[C@H]1C(C)C)C
InChI: InChI=1S/C29H61O4Si2.3C4H9.Sn/c1-22(2)25-16-15-23(3)19-27(25)31-21-30-18-17-26(33-35(13,14)29(8,9)10)24(4)20-32-34(11,12)28(5,6)7;3*1-3-4-2;/h18,22-27H,15-17,19-21H2,1-14H3;3*1,3-4H2,2H3;/t23-,24-,25+,26+,27-;;;;/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)OCC=C)CN4CC[C@@H](C4)O
InChI: InChI=1S/C28H36N2O6/c1-3-14-34-28(33)29-15-20-4-10-23(11-5-20)27-35-25(17-30-13-12-24(32)16-30)19(2)26(36-27)22-8-6-21(18-31)7-9-22/h3-11,19,24-27,31-32H,1,12-18H2,2H3,(H,29,33)/t19-,24+,25+,26+,27+/m1/s1
SMILES: CCCC(=O)O[C@@]1(CCC2[C@@]1(CCC3C2C=C(C4=CC(=O)C[C@@H]([C@]34C)C)C)C)C(=O)C
InChI: InChI=1S/C27H38O4/c1-7-8-24(30)31-27(18(4)28)12-10-21-20-13-16(2)23-15-19(29)14-17(3)26(23,6)22(20)9-11-25(21,27)5/h13,15,17,20-22H,7-12,14H2,1-6H3/t17-,20?,21?,22?,25-,26+,27-/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C
InChI: InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16-,17+,18+,19-,22+,23+,24-/m1/s1
SMILES: CCNC(=O)NC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN(C)[C@@H](C)C4=CC=CC=C4
InChI: InChI=1S/C31H39N3O4/c1-5-32-31(36)33-27-17-15-26(16-18-27)30-37-28(19-34(4)22(3)24-9-7-6-8-10-24)21(2)29(38-30)25-13-11-23(20-35)12-14-25/h6-18,21-22,28-30,35H,5,19-20H2,1-4H3,(H2,32,33,36)/t21-,22+,28+,29+,30+/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)C(N[C@@H]3C(=O)OC)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI: InChI=1S/C27H22F2N2O5/c1-35-20-13-11-19(12-14-20)31-24(32)21-22(25(31)33)27(30-23(21)26(34)36-2,15-3-7-17(28)8-4-15)16-5-9-18(29)10-6-16/h3-14,21-23,30H,1-2H3/t21-,22+,23-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)(C3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3O)(C4(C)C)O)O[Si](CC)(CC)CC)C)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C36H62O10Si2/c1-13-47(14-2,15-3)45-25-20-36(41)32(40)30-34(12,31(39)29(43-23(8)37)28(22(25)7)33(36,10)11)26(46-48(16-4,17-5)18-6)19-27-35(30,21-42-27)44-24(9)38/h25-27,29-30,32,40-41H,13-21H2,1-12H3/t25-,26-,27+,29+,30?,32-,34+,35-,36+/m0/s1
SMILES: C1CN(CCN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)C(=O)C4=CC=CO4
InChI: InChI=1S/C18H20N2O5/c21-16(13-2-1-9-25-13)19-5-7-20(8-6-19)17(22)14-11-3-4-12(10-11)15(14)18(23)24/h1-4,9,11-12,14-15H,5-8,10H2,(H,23,24)/p-1/t11-,12+,14+,15+/m1/s1
SMILES: CC(=O)NC1=CC=C(C=C1)S[C@H]2CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OCCN7CC7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C44H59N3O8S/c1-3-24-53-44-40(56-34-16-13-32(14-17-34)45-30(2)50)29-38(46-55-41-12-6-9-25-52-41)36-27-31(10-4-7-22-48)35(11-5-8-23-49)42(43(36)44)37-28-33(15-18-39(37)54-44)51-26-21-47-19-20-47/h3,13-18,27-28,31,35,40-43,48-49H,1,4-12,19-26,29H2,2H3,(H,45,50)/t31-,35+,40-,41?,42+,43+,44+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]([NH+]4[C@@H]3C5=CC=CC=C5C=C4)C(=O)OC
InChI: InChI=1S/C23H20N2O4/c1-13-7-9-15(10-8-13)25-21(26)17-18(22(25)27)20(23(28)29-2)24-12-11-14-5-3-4-6-16(14)19(17)24/h3-12,17-20H,1-2H3/p+1/t17-,18+,19+,20+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]([C@@H]2C(=O)[O-])[C@]3(CCC(=O)C=C3)C)C
InChI: InChI=1S/C26H42O3/c1-17(2)7-6-8-18(3)20-9-10-22-23(24(28)29)21(13-16-26(20,22)5)25(4)14-11-19(27)12-15-25/h11,14,17-18,20-23H,6-10,12-13,15-16H2,1-5H3,(H,28,29)/p-1/t18-,20-,21+,22+,23+,25-,26-/m1/s1
SMILES: CCCCCCC1C(OC(=O)C1=C)CC(C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C/C=C/4\CC(C(C(C4=C)O)CCCO)O)C
InChI: InChI=1S/C36H56O5/c1-6-7-8-9-13-28-25(4)35(40)41-33(28)21-23(2)30-17-18-31-26(12-10-19-36(30,31)5)15-16-27-22-32(38)29(14-11-20-37)34(39)24(27)3/h15-16,23,28-34,37-39H,3-4,6-14,17-22H2,1-2,5H3/b26-15-,27-16+/t23?,28?,29?,30-,31+,32?,33?,34?,36-/m1/s1
SMILES: C[C@]1([C@H](N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3OC)C4=CC=CC=C4
InChI: InChI=1S/C23H21NO2/c1-23(17-11-5-3-6-12-17)21(19-15-9-10-16-20(19)26-2)24(22(23)25)18-13-7-4-8-14-18/h3-16,21H,1-2H3/t21-,23-/m1/s1
SMILES: CC(=O)O[C@@]1(CO[C@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC)C[N+](=O)[O-]
InChI: InChI=1S/C23H27NO8/c1-17(25)32-23(15-24(26)27)16-31-22(28-2)20(29-13-18-9-5-3-6-10-18)21(23)30-14-19-11-7-4-8-12-19/h3-12,20-22H,13-16H2,1-2H3/t20-,21-,22+,23+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H](C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C26H26O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(31-26)19-28-16-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2/t23-,24-,25+/m1/s1
SMILES: CCCCN(C)C(=O)C1=CC(=C(C=C1)Cl)NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2
InChI: InChI=1S/C17H22ClN3O3S2/c1-3-4-7-21(2)16(22)11-5-6-12(18)13(8-11)19-17-20-14-9-26(23,24)10-15(14)25-17/h5-6,8,14-15H,3-4,7,9-10H2,1-2H3,(H,19,20)/t14-,15-/m1/s1
SMILES: CCC(=O)O[C@@H]1[C@H]2CCC3C(C2C[C@H]1Br)[C@H](CC4=C[C@H](CC[C@]34C)O)O
InChI: InChI=1S/C21H31BrO4/c1-3-18(25)26-20-13-4-5-15-19(14(13)10-16(20)22)17(24)9-11-8-12(23)6-7-21(11,15)2/h8,12-17,19-20,23-24H,3-7,9-10H2,1-2H3/t12-,13-,14?,15?,16+,17-,19?,20+,21-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H18Cl3NO8/c1-5-9(23-6(2)19)10(24-7(3)20)11(25-8(4)21)12(22-5)26-13(18)14(15,16)17/h5,9-12,18H,1-4H3/t5-,9+,10+,11-,12+/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl
InChI: InChI=1S/C16H18ClNO2/c1-9-3-6-12-13(7-9)16(20)18(15(12)19)11-5-4-10(2)14(17)8-11/h4-5,8-9,12-13H,3,6-7H2,1-2H3/t9-,12-,13+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)CO[C@@]23CC4=C([C@H]5[C@@]26CCN([C@@H]3CC7=C6C(=C(C=C7)O)O5)CC8CC8)NC9=CC=CC=C49.Cl
InChI: InChI=1S/C37H40N2O3.ClH/c1-35(2,3)25-13-10-23(11-14-25)21-41-37-19-27-26-6-4-5-7-28(26)38-32(27)34-36(37)16-17-39(20-22-8-9-22)30(37)18-24-12-15-29(40)33(42-34)31(24)36;/h4-7,10-15,22,30,34,38,40H,8-9,16-21H2,1-3H3;1H/t30-,34+,36+,37-;/m1./s1
SMILES: CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI: InChI=1S/C24H42O3/c1-5-6-14(2)17-7-8-18-22-19(13-21(27)24(17,18)4)23(3)10-9-16(25)11-15(23)12-20(22)26/h14-22,25-27H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
SMILES: CN1C=CC=C1C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H]3CCCC[C@H]3C(=O)N4C[C@H](C[C@H]4C(=O)O)NC(=O)C5=CC=CS5)C(=O)O
InChI: InChI=1S/C29H35N5O8S/c1-32-10-4-8-20(32)24(35)30-16-12-21(28(39)40)33(14-16)26(37)18-6-2-3-7-19(18)27(38)34-15-17(13-22(34)29(41)42)31-25(36)23-9-5-11-43-23/h4-5,8-11,16-19,21-22H,2-3,6-7,12-15H2,1H3,(H,30,35)(H,31,36)(H,39,40)(H,41,42)/t16-,17-,18+,19+,21-,22-/m0/s1
SMILES: CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2(C([C@]5([C@H](C[C@H]([C@@]6([C@@H]5[C@H]4OC6)C)OC)O)C)CC(=O)OC)C
InChI: InChI=1S/C28H38O7/c1-14-16(15-7-8-33-12-15)9-17-22(14)28(4)18(10-21(30)32-6)27(3)19(29)11-20(31-5)26(2)13-34-23(24(26)27)25(28)35-17/h7-8,12,16-20,23-25,29H,9-11,13H2,1-6H3/t16-,17-,18?,19+,20-,23-,24+,25-,26-,27+,28-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C8=CC=CC=C8C=C7)O)C(=O)N(C5=O)C9=CC=C(C=C9)N=NC1=CC=C(C=C1)N(C)C
InChI: InChI=1S/C51H44N6O5/c1-30-13-16-35(17-14-30)54-57-48(60)43-29-42-39(45(51(43,50(57)62)32-10-5-4-6-11-32)41-26-15-31-9-7-8-12-38(31)46(41)58)27-28-40-44(42)49(61)56(47(40)59)37-24-20-34(21-25-37)53-52-33-18-22-36(23-19-33)55(2)3/h4-27,40,42-45,54,58H,28-29H2,1-3H3/t40-,42+,43-,44-,45+,51+/m0/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C(=O)NC3=C(C=CC(=C3)C(=O)O)NCC4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C23H22N2O5/c26-21(19-14-6-7-15(10-14)20(19)23(29)30)25-18-11-16(22(27)28)8-9-17(18)24-12-13-4-2-1-3-5-13/h1-9,11,14-15,19-20,24H,10,12H2,(H,25,26)(H,27,28)(H,29,30)/t14-,15+,19-,20+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CCCC(C)C)[C@H]2CC[C@H]([C@]2(C)CC=C)O
InChI: InChI=1S/C24H38O4S/c1-6-16-24(5)22(14-15-23(24)25)20(9-7-8-18(2)3)17-28-29(26,27)21-12-10-19(4)11-13-21/h6,10-13,18,20,22-23,25H,1,7-9,14-17H2,2-5H3/t20-,22+,23+,24+/m0/s1
SMILES: CN1C(=C(C(=O)N(C1=O)C)[C@H]2C3=CC4=C(C=C3[C@@]56C=C[C@@H](C[C@@H]5[NH+]2C[C@H]6O)OC)OCO4)O
InChI: InChI=1S/C23H25N3O7/c1-24-20(28)18(21(29)25(2)22(24)30)19-12-7-14-15(33-10-32-14)8-13(12)23-5-4-11(31-3)6-16(23)26(19)9-17(23)27/h4-5,7-8,11,16-17,19,27-28H,6,9-10H2,1-3H3/p+1/t11-,16-,17+,19+,23-/m0/s1
SMILES: C[C@@]1(CC[C@H]2[C@@H](O1)C3=CC=CC=C3OC2(C)C)C#CC[NH+](C)C
InChI: InChI=1S/C20H27NO2/c1-19(2)16-11-13-20(3,12-8-14-21(4)5)23-18(16)15-9-6-7-10-17(15)22-19/h6-7,9-10,16,18H,11,13-14H2,1-5H3/p+1/t16-,18-,20-/m0/s1
SMILES: CC1=CC(=CC(=C1)N2C(=O)[C@H]3[C@H]4CCCN4[C@@H]([C@H]3C2=O)C(=O)C5=CC=C(C=C5)Cl)C
InChI: InChI=1S/C24H23ClN2O3/c1-13-10-14(2)12-17(11-13)27-23(29)19-18-4-3-9-26(18)21(20(19)24(27)30)22(28)15-5-7-16(25)8-6-15/h5-8,10-12,18-21H,3-4,9H2,1-2H3/t18-,19+,20+,21+/m1/s1
SMILES: C[C@@]12CC[C@@H](C(=C)[C@H]1C[C@@H]3[C@@H](C(=O)C=C(C3(C)C)[C@@H]4[C@@H]2OC(O4)(C)C)OC(=O)C5=CC=CC=C5)OCOC
InChI: InChI=1S/C31H40O7/c1-18-20-15-21-25(36-28(33)19-11-9-8-10-12-19)23(32)16-22(29(21,2)3)26-27(38-30(4,5)37-26)31(20,6)14-13-24(18)35-17-34-7/h8-12,16,20-21,24-27H,1,13-15,17H2,2-7H3/t20-,21-,24+,25+,26-,27+,31-/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)C23CC4(C2)[C@@H]([C@H]3C5=CC=CC=C5)CN([C@@H]4C6=CC=CC=C6)P(=O)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C40H36NO3P/c1-44-38(42)31-22-24-32(25-23-31)39-27-40(28-39)35(36(39)29-14-6-2-7-15-29)26-41(37(40)30-16-8-3-9-17-30)45(43,33-18-10-4-11-19-33)34-20-12-5-13-21-34/h2-25,35-37H,26-28H2,1H3/t35-,36-,37-,39?,40?/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@]1(CO[C@@]2(C3)C(=O)O/N=C(\C#N)/C4=NC5=CC=CC=C5S4)C
InChI: InChI=1S/C20H19N3O3S/c1-18-11-25-20(9-12(18)7-8-19(18,20)2)17(24)26-23-14(10-21)16-22-13-5-3-4-6-15(13)27-16/h3-6,12H,7-9,11H2,1-2H3/b23-14+/t12-,18+,19-,20+/m1/s1
SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)O)O)O)O
InChI: InChI=1S/C23H22O11/c1-30-11-5-3-10(4-6-11)15-9-14(25)17-13(24)7-12(8-16(17)33-15)32-23-20(28)18(26)19(27)21(34-23)22(29)31-2/h3-9,18-21,23-24,26-28H,1-2H3/t18-,19-,20+,21-,23?/m0/s1
SMILES: CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)C
InChI: InChI=1S/C23H27N3O3/c1-15-7-8-16(2)26(15)18-11-9-17(10-12-18)24-21(27)13-14-25-22(28)19-5-3-4-6-20(19)23(25)29/h7-12,19-20H,3-6,13-14H2,1-2H3,(H,24,27)/t19-,20-/m1/s1
SMILES: CCCCCCCCCC[C@H]1[C@H](OC(O1)(C)C)CC[C@@H]([C@@H]2CC[C@H](O2)[C@H](CCCCCCCCCCC(CC3=CC(OC3=O)(C)O)O)O)O
InChI: InChI=1S/C40H72O9/c1-5-6-7-8-9-14-17-20-23-36-37(48-39(2,3)47-36)25-24-33(43)35-27-26-34(46-35)32(42)22-19-16-13-11-10-12-15-18-21-31(41)28-30-29-40(4,45)49-38(30)44/h29,31-37,41-43,45H,5-28H2,1-4H3/t31?,32-,33-,34-,35-,36-,37+,40?/m0/s1
SMILES: CC(C)([C@H]([C@H]1[C@H](CO[C@H](O1)C2=CC=C(C=C2)OC)OC)O)C(=O)OC
InChI: InChI=1S/C18H26O7/c1-18(2,17(20)23-5)15(19)14-13(22-4)10-24-16(25-14)11-6-8-12(21-3)9-7-11/h6-9,13-16,19H,10H2,1-5H3/t13-,14+,15-,16+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](SC2(C)C)[C@](C3=CC=CC=C3)([C@@H](C)OS(=O)(=O)C4=CC=C(C=C4)C)O
InChI: InChI=1S/C27H36O5S2/c1-18-11-14-22(15-12-18)34(29,30)32-20(3)27(28,21-9-7-6-8-10-21)25-31-24-17-19(2)13-16-23(24)26(4,5)33-25/h6-12,14-15,19-20,23-25,28H,13,16-17H2,1-5H3/t19-,20-,23-,24-,25-,27-/m1/s1
SMILES: CC1=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=C(C=C8)[N+](=O)[O-])O
InChI: InChI=1S/C41H32N2O7/c1-23-9-8-14-30(37(23)45)36-28-19-20-29-35(40(48)42(39(29)47)26-15-17-27(18-16-26)43(49)50)32(28)21-33-38(46)31(24-10-4-2-5-11-24)22-34(44)41(33,36)25-12-6-3-7-13-25/h2-19,22,29,32-33,35-36,45H,20-21H2,1H3/t29-,32+,33-,35-,36+,41-/m0/s1
SMILES: CCCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)Cl)O)C)C
InChI: InChI=1S/C28H38ClFO5/c1-5-6-7-8-24(34)35-15-22(32)25-16(2)11-18-19-13-21(30)20-12-17(31)9-10-27(20,4)28(19,29)23(33)14-26(18,25)3/h9-10,12,16,18-19,21,23,25,33H,5-8,11,13-15H2,1-4H3/t16-,18+,19+,21+,23+,25-,26+,27+,28+/m1/s1
SMILES: COC1=CC=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=CC(=O)NC3=O)CO)O
InChI: InChI=1S/C17H19N3O7/c1-26-10-4-2-3-9(7-10)15(24)19-13-14(23)11(8-21)27-16(13)20-6-5-12(22)18-17(20)25/h2-7,11,13-14,16,21,23H,8H2,1H3,(H,19,24)(H,18,22,25)/t11-,13-,14-,16-/m1/s1
SMILES: CC1=CC[C@]2(CC[C@@]([C@@H]2[C@@H](C1)OC(=O)C3=CC(=C(C=C3)O)OC)(C(C)C)O)C
InChI: InChI=1S/C23H32O5/c1-14(2)23(26)11-10-22(4)9-8-15(3)12-19(20(22)23)28-21(25)16-6-7-17(24)18(13-16)27-5/h6-8,13-14,19-20,24,26H,9-12H2,1-5H3/t19-,20-,22+,23+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@H]2C(=O)[O-])C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H23ClN2O3/c20-14-3-5-15(6-4-14)21-7-9-22(10-8-21)18(23)16-12-1-2-13(11-12)17(16)19(24)25/h3-6,12-13,16-17H,1-2,7-11H2,(H,24,25)/p-1/t12-,13+,16-,17+/m1/s1
SMILES: C1CC(=O)[C@]2([C@H]([C@@H]1OC2=O)I)CCCOCC3=CC=CC=C3
InChI: InChI=1S/C17H19IO4/c18-15-13-7-8-14(19)17(15,16(20)22-13)9-4-10-21-11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2/t13-,15+,17+/m1/s1
SMILES: C[C@]12CCC3C(C1C[C@H](C24CC4)O)[C@@H]([C@@H](C5=C3C=CC(=C5)O)O)CCCCCCCCCC(CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)OC
InChI: InChI=1S/C39H53F9O5/c1-34-18-16-26-25-15-14-24(49)21-28(25)32(51)27(31(26)29(34)22-30(50)35(34)19-20-35)13-9-7-5-3-4-6-8-11-23(33(52)53-2)12-10-17-36(40,41)37(42,43)38(44,45)39(46,47)48/h14-15,21,23,26-27,29-32,49-51H,3-13,16-20,22H2,1-2H3/t23?,26?,27-,29?,30+,31?,32-,34-/m0/s1
SMILES: CC[C@@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5O)[N+]3([C@H]1O)C)C6=CC=CC=C6N4C.[Cl-]
InChI: InChI=1S/C21H29N2O2.ClH/c1-4-11-12-9-15-18-21(13-7-5-6-8-14(13)22(18)2)10-16(17(12)19(21)24)23(15,3)20(11)25;/h5-8,11-12,15-20,24-25H,4,9-10H2,1-3H3;1H/q+1;/p-1/t11-,12+,15+,16+,17+,18+,19-,20+,21-,23?;/m1./s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5OC)OC)O)C(=O)N(C4=O)C)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C30H28ClFN2O7/c1-30-18(27(37)34(29(30)39)13-5-8-20(32)19(31)9-13)12-17-15(6-7-16-23(17)28(38)33(2)26(16)36)25(30)24-21(35)10-14(40-3)11-22(24)41-4/h5-6,8-11,16-18,23,25,35H,7,12H2,1-4H3/t16-,17+,18-,23-,25+,30+/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@@H]6C(=CCN7N6C(=O)N(C7=O)CCC8=NC9=CC(=C(C=C9N(C8=O)C)OC)OC)[C@@H]([C@@]5(C4=O)C)C1=CC(=C(C(=C1Br)Br)O)OC)C
InChI: InChI=1S/C46H41Br2ClN8O9S/c1-20-23-14-21(49)8-9-34(23)67-40(20)28-18-35(53(4)51-28)56-41(59)25-16-29-22(36(46(25,2)43(56)61)24-15-33(66-7)39(58)38(48)37(24)47)10-13-55-44(62)54(45(63)57(29)55)12-11-26-42(60)52(3)30-19-32(65-6)31(64-5)17-27(30)50-26/h8-10,14-15,17-19,25,29,36,58H,11-13,16H2,1-7H3/t25-,29+,36+,46+/m0/s1
SMILES: C[N+](C)(C)C[C@@H](CC(=O)[O-])O.C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O
InChI: InChI=1S/C7H15NO3.C6H12O6/c1-8(2,3)5-6(9)4-7(10)11;7-1-2-3(8)4(9)5(10)6(11)12-2/h6,9H,4-5H2,1-3H3;2-11H,1H2/t6-;2-,3-,4+,5-,6?/m11/s1
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)OC(=O)C)N(C)C
InChI: InChI=1S/C37H63NO13/c1-17-15-37(16-45-37)34(42)20(4)29(40)19(3)23(7)48-35(43)22(6)32(50-28-14-27(44-12)30(41)24(8)47-28)21(5)31(17)51-36-33(49-25(9)39)26(38(10)11)13-18(2)46-36/h17-24,26-33,36,40-41H,13-16H2,1-12H3/t17-,18+,19-,20+,21+,22+,23+,24-,26-,27-,28-,29-,30+,31-,32-,33+,36-,37+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=[Cr])C2=CC=CC=C2)C(C)C
InChI: InChI=1S/C17H24O.Cr/c1-13(2)16-10-9-14(3)11-17(16)18-12-15-7-5-4-6-8-15;/h4-8,13-14,16-17H,9-11H2,1-3H3;/t14-,16+,17-;/m1./s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C
InChI: InChI=1S/C18H26N2O4S/c1-13-6-4-5-7-17(13)19-18(22)12-20(3)25(23,24)16-10-8-15(9-11-16)14(2)21/h8-11,13,17H,4-7,12H2,1-3H3,(H,19,22)/t13-,17+/m0/s1
SMILES: CN(CC1=CC=CC=C1O)[C@H]2CCCC[C@@H]2N(C)CC3=CC=CC=C3O
InChI: InChI=1S/C22H30N2O2/c1-23(15-17-9-3-7-13-21(17)25)19-11-5-6-12-20(19)24(2)16-18-10-4-8-14-22(18)26/h3-4,7-10,13-14,19-20,25-26H,5-6,11-12,15-16H2,1-2H3/t19-,20-/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(CCCOC(C)C)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO)C(C)C
InChI: InChI=1S/C35H54N2O9/c1-20(2)24-9-8-22(5)14-28(24)45-19-30(40)37(11-7-13-44-21(3)4)27-17-26(35(42)36-10-12-38)31-25-15-23(18-39)16-29(43-6)33(25)46-34(31)32(27)41/h15-17,20-22,24,27-28,31-32,34,38-39,41H,7-14,18-19H2,1-6H3,(H,36,42)/t22-,24+,27+,28-,31-,32-,34-/m0/s1
SMILES: CCC[C@H]1[C@H](OC(=O)C1=C)C[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C30H44O4/c1-6-8-24-20(4)29(33)34-28(24)15-18(2)25-12-13-26-21(9-7-14-30(25,26)5)10-11-22-16-23(31)17-27(32)19(22)3/h10-11,18,23-28,31-32H,3-4,6-9,12-17H2,1-2,5H3/b21-10+,22-11-/t18-,23-,24-,25-,26+,27+,28-,30-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1/C(=N\NC(=S)NC3=CC=CC=C3C(F)(F)F)/C2
InChI: InChI=1S/C15H14F3N3S/c16-15(17,18)11-6-1-2-7-12(11)19-14(22)21-20-13-8-9-4-3-5-10(9)13/h1-4,6-7,9-10H,5,8H2,(H2,19,21,22)/b20-13-/t9-,10-/m1/s1
SMILES: CC(=O)ON(CC1=CC=CC=C1)[C@H](C=C)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OCC4=CC=CC=C4
InChI: InChI=1S/C26H31NO6/c1-5-21(27(33-18(2)28)16-19-12-8-6-9-13-19)22-23(29-17-20-14-10-7-11-15-20)24-25(30-22)32-26(3,4)31-24/h5-15,21-25H,1,16-17H2,2-4H3/t21-,22-,23+,24-,25-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)[NH2+][C@H](C(=O)N2)CC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C16H21N3O2/c20-15(17-11-6-2-1-3-7-11)10-14-16(21)19-13-9-5-4-8-12(13)18-14/h1-3,6-7,12-14,18H,4-5,8-10H2,(H,17,20)(H,19,21)/p+1/t12-,13+,14+/m1/s1
SMILES: [3H]NC1=NC2=C(C(=N1)OCC)N=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI: InChI=1S/C12H20N5O13P3/c1-2-26-11-9-10(15-12(13)16-11)17(5-14-9)8-3-6(18)7(28-8)4-27-32(22,23)30-33(24,25)29-31(19,20)21/h5-8,18H,2-4H2,1H3,(H,22,23)(H,24,25)(H2,13,15,16)(H2,19,20,21)/t6-,7+,8+/m0/s1/i/hT
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CN=[N+]=[N-])CC(=O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C18H29N5O6Si/c1-10-9-23(17(27)21-15(10)26)16-14(29-30(5,6)18(2,3)4)11(7-13(24)25)12(28-16)8-20-22-19/h9,11-12,14,16H,7-8H2,1-6H3,(H,24,25)(H,21,26,27)/t11-,12-,14-,16-/m1/s1
SMILES: CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C19H21N3O6S/c1-2-27-19(26)15-13(12(7-20)16(21)29-15)9-28-14(23)8-22-17(24)10-5-3-4-6-11(10)18(22)25/h10-11H,2-6,8-9,21H2,1H3/t10-,11-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CCO)O)O)O[C@@H]1CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C34H54O7Si2/c1-33(2,3)42(7,8)41-28-23-29-32(31(37)30(36)27(39-29)19-21-35)40-26(28)20-22-38-43(34(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,26-32,35-37H,19-23H2,1-8H3/t26-,27+,28+,29-,30+,31-,32-/m1/s1
SMILES: COC(=O)[C@H]1[C@@H]2COC3=CC=CC=C3[C@H]2N4[C@@H]1C(=O)N(C4=O)C5=CC=CC=C5
InChI: InChI=1S/C21H18N2O5/c1-27-20(25)16-14-11-28-15-10-6-5-9-13(15)17(14)23-18(16)19(24)22(21(23)26)12-7-3-2-4-8-12/h2-10,14,16-18H,11H2,1H3/t14-,16-,17+,18-/m0/s1
SMILES: CC(CC1=C[C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C32H36O6/c1-24(32(33)34-2)18-28-19-29(36-21-26-14-8-4-9-15-26)31(37-22-27-16-10-5-11-17-27)30(38-28)23-35-20-25-12-6-3-7-13-25/h3-17,19,24,29-31H,18,20-23H2,1-2H3/t24?,29-,30-,31-/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C=CC(=C5)Br)O)C(=O)N(C4=O)CC6=CC=CS6)Cl
InChI: InChI=1S/C26H21BrCl2N2O5S/c1-30-23(35)25(28)10-17-14(20(26(25,29)24(30)36)16-9-12(27)4-7-18(16)32)5-6-15-19(17)22(34)31(21(15)33)11-13-3-2-8-37-13/h2-5,7-9,15,17,19-20,32H,6,10-11H2,1H3/t15-,17+,19-,20+,25+,26-/m0/s1
SMILES: C1=CC=C(C=C1)C(=C2[C@@H]3C=CC=C[C@@H]3C(C(=O)O2)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C34H26O2/c35-33-34(27-19-9-3-10-20-27,28-21-11-4-12-22-28)30-24-14-13-23-29(30)32(36-33)31(25-15-5-1-6-16-25)26-17-7-2-8-18-26/h1-24,29-30H/t29-,30+/m1/s1
SMILES: CC1(O[C@@H]([C@]2(O1)C(=O)O[C@@H]([C@]2(C(=O)OCC3=CC=CC=C3)O)CO)COCOCC[Si](C)(C)C)C
InChI: InChI=1S/C24H36O10Si/c1-22(2)33-19(15-30-16-29-11-12-35(3,4)5)24(34-22)21(27)32-18(13-25)23(24,28)20(26)31-14-17-9-7-6-8-10-17/h6-10,18-19,25,28H,11-16H2,1-5H3/t18-,19-,23-,24+/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=CC(=C7)OC(F)(F)F)O)C(=O)N(C5=O)CCC(=O)O
InChI: InChI=1S/C37H32F3N3O8/c1-19-7-9-21(10-8-19)41-43-33(48)27-18-25-23(12-13-24-30(25)34(49)42(32(24)47)16-15-29(45)46)31(36(27,35(43)50)20-5-3-2-4-6-20)26-17-22(11-14-28(26)44)51-37(38,39)40/h2-12,14,17,24-25,27,30-31,41,44H,13,15-16,18H2,1H3,(H,45,46)/t24-,25+,27-,30-,31+,36+/m0/s1
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@H]3CC(C[C@@H]4[C@]3([C@@H]2C(=O)C(=C4C)OC)C)OC5C[C@H]6C[C@@H]7[C@H](C=C(C(=O)[C@]7([C@H]8[C@]6([C@H](C5)C(=C(C8=O)OC)C)C)C)OC)C)C)OC
InChI: InChI=1S/C46H62O9/c1-21-13-33(51-9)41(49)45(7)29(21)17-25-15-27(19-31-23(3)37(53-11)35(47)39(45)43(25,31)5)55-28-16-26-18-30-22(2)14-34(52-10)42(50)46(30,8)40-36(48)38(54-12)24(4)32(20-28)44(26,40)6/h13-14,21-22,25-32,39-40H,15-20H2,1-12H3/t21-,22+,25-,26+,27?,28?,29+,30-,31+,32-,39+,40-,43+,44-,45+,46-
SMILES: CC1=CC=C(C=C1)/C=N\NC(=O)[C@@H]2C[C@@H]2C3=CC=CC=C3
InChI: InChI=1S/C18H18N2O/c1-13-7-9-14(10-8-13)12-19-20-18(21)17-11-16(17)15-5-3-2-4-6-15/h2-10,12,16-17H,11H2,1H3,(H,20,21)/b19-12-/t16-,17-/m1/s1
SMILES: CCCCN(C)C(=O)C1=CC(=C(C=C1)Cl)NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2
InChI: InChI=1S/C17H22ClN3O3S2/c1-3-4-7-21(2)16(22)11-5-6-12(18)13(8-11)19-17-20-14-9-26(23,24)10-15(14)25-17/h5-6,8,14-15H,3-4,7,9-10H2,1-2H3,(H,19,20)/t14-,15+/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCC2=NC3=CC=CC=C3N2)C4=CN(C5=CC=CC=C54)C(=O)C)CCCO
InChI: InChI=1S/C29H32N4O5/c1-3-37-29-20(10-8-14-34)21(22-17-33(18(2)35)25-13-7-4-9-19(22)25)15-26(38-29)28(36)30-16-27-31-23-11-5-6-12-24(23)32-27/h4-7,9,11-13,15,17,20-21,29,34H,3,8,10,14,16H2,1-2H3,(H,30,36)(H,31,32)/t20-,21-,29+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)C5=CN=CC=C5)CN6CCN(CC6)C7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C42H43N5O6/c1-29-39(27-45-19-21-46(22-20-45)37-14-16-38(17-15-37)47(50)51)52-42(53-40(29)32-12-10-30(28-48)11-13-32)35-8-3-7-34(24-35)33-6-2-5-31(23-33)25-44-41(49)36-9-4-18-43-26-36/h2-18,23-24,26,29,39-40,42,48H,19-22,25,27-28H2,1H3,(H,44,49)/t29-,39+,40+,42+/m0/s1
SMILES: C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)/C=N/OCC3=CC(=NO3)OC
InChI: InChI=1S/C13H15N3O8S/c1-13(6-14-23-5-7-3-8(22-2)15-24-7)11(12(18)19)16-9(17)4-10(16)25(13,20)21/h3,6,10-11H,4-5H2,1-2H3,(H,18,19)/b14-6+/t10-,11+,13+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)C
InChI: InChI=1S/C21H32O4/c1-12(22)25-18-5-4-15-19-16(7-9-21(15,18)3)20(2)8-6-14(23)10-13(20)11-17(19)24/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16+,17-,18+,19+,20+,21+/m1/s1
SMILES: C[C@@H]1C[C@@H](/C=C/[C@@H]([C@H](CC(=O)O1)O[C@H]2[C@@H](C[C@@H]([C@@H](O2)C)O)I)O)O[C@H]3[C@@H](C[C@@H]([C@@H](O3)C)O)I
InChI: InChI=1S/C22H34I2O9/c1-10-6-13(32-21-14(23)7-17(26)11(2)30-21)4-5-16(25)19(9-20(28)29-10)33-22-15(24)8-18(27)12(3)31-22/h4-5,10-19,21-22,25-27H,6-9H2,1-3H3/b5-4+/t10-,11+,12+,13-,14-,15-,16+,17+,18+,19+,21+,22+/m1/s1
SMILES: CC1CCC2(C(CC(C(C(C13C2C(=O)CC3)C)O)(C)C=C)OC(=O)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)C
InChI: InChI=1S/C27H42O9/c1-6-25(4)11-18(36-19(30)13-35-24-21(32)20(31)17(29)12-34-24)26(5)9-7-14(2)27(15(3)23(25)33)10-8-16(28)22(26)27/h6,14-15,17-18,20-24,29,31-33H,1,7-13H2,2-5H3/t14?,15?,17-,18?,20+,21-,22?,23?,24+,25?,26?,27?/m1/s1
SMILES: CCOC(=O)/C=C/[C@@H]1CC2(C[C@H]3[C@@]1(C(=O)N([C@@H]3SC4=CC=CC=C4)C)COCC5=CC=CC=C5)OCC(CO2)(C)C
InChI: InChI=1S/C33H41NO6S/c1-5-38-28(35)17-16-25-18-32(39-21-31(2,3)22-40-32)19-27-29(41-26-14-10-7-11-15-26)34(4)30(36)33(25,27)23-37-20-24-12-8-6-9-13-24/h6-17,25,27,29H,5,18-23H2,1-4H3/b17-16+/t25-,27-,29-,33-/m1/s1