EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=CC=CC=C3F
InChI: InChI=1S/C19H21FN2O5/c1-12-6-4-5-9-19(12)17(25)22(18(26)21-19)10-16(24)27-11-15(23)13-7-2-3-8-14(13)20/h2-3,7-8,12H,4-6,9-11H2,1H3,(H,21,26)/t12-,19+/m0/s1
SMILES: C[C@@H](CCC1=CC=C(C=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@@](CO3)(CO)O)O)O)O)O
InChI: InChI=1S/C21H32O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-20,22-28H,2-3,8-10H2,1H3/t11-,14+,15+,16-,17+,18-,19+,20+,21-/m0/s1
SMILES: C[C@H](C[C@@H]1CC(O[C@@H]1[C@H]([C@@H](CC=O)O[Si](C)(C)C(C)(C)C)OC)OC)C(=O)CP(=O)(OC)OC
InChI: InChI=1S/C23H45O9PSi/c1-16(18(25)15-33(26,29-7)30-8)13-17-14-20(27-5)31-21(17)22(28-6)19(11-12-24)32-34(9,10)23(2,3)4/h12,16-17,19-22H,11,13-15H2,1-10H3/t16-,17-,19-,20?,21+,22+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@H]1CCC(=O)C2)CC[C@]4([C@H]3CC[C@@H]4C#N)C
InChI: InChI=1S/C20H29NO/c1-19-9-7-16-15(17(19)6-4-14(22)11-19)8-10-20(2)13(12-21)3-5-18(16)20/h13,15-18H,3-11H2,1-2H3/t13-,15+,16-,17-,18+,19-,20-/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4=C3C=CC(=C4)OS(=O)(=O)O)C
InChI: InChI=1S/C20H24O6S/c1-12(21)25-19-8-7-18-17-5-3-13-11-14(26-27(22,23)24)4-6-15(13)16(17)9-10-20(18,19)2/h4-6,11,16,18-19H,3,7-10H2,1-2H3,(H,22,23,24)/t16-,18+,19-,20+/m1/s1
SMILES: C[C@@H]1[C@H]([C@H](C2=C(S1)NC(=O)S2)C3=CC=C(C=C3)OC)C=O
InChI: InChI=1S/C15H15NO3S2/c1-8-11(7-17)12(9-3-5-10(19-2)6-4-9)13-14(20-8)16-15(18)21-13/h3-8,11-12H,1-2H3,(H,16,18)/t8-,11-,12-/m1/s1
SMILES: C1=C(N=C2N1[C@@H]([C@H]([C@@H]([C@@H]2O)O)O)CO)C3=NNN=N3
InChI: InChI=1S/C9H12N6O4/c16-2-4-5(17)6(18)7(19)9-10-3(1-15(4)9)8-11-13-14-12-8/h1,4-7,16-19H,2H2,(H,11,12,13,14)/t4-,5-,6+,7+/m1/s1
SMILES: CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])C
InChI: InChI=1S/C22H25NO5S/c1-12-8-10-14(11-9-12)17-13(2)29-20(18(17)22(27)28-3)23-19(24)15-6-4-5-7-16(15)21(25)26/h8-11,15-16H,4-7H2,1-3H3,(H,23,24)(H,25,26)/p-1/t15-,16-/m0/s1
SMILES: CCOC(=O)C[C@]1(C=C[C@@H](C[C@@H]1OCC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C30H40O6Si/c1-7-32-28(31)19-30(23-13-14-25-26(17-23)35-21-34-25)16-15-24(36-37(5,6)29(2,3)4)18-27(30)33-20-22-11-9-8-10-12-22/h8-17,24,27H,7,18-21H2,1-6H3/t24-,27-,30+/m0/s1
SMILES: CCOC(=O)[C@H]([C@H](CCNC(=O)/C=C/C=C\C[C@H]1[C@@H](C[C@H]2[C@@H]1C=C[C@@H]2C)/C=C/CCC3=CC(=O)OC(O3)(C)C)O[Si](C)(C)C(C)(C)C)NCC4=C(C=C(C=C4)OC)OC
InChI: InChI=1S/C47H70N2O9Si/c1-12-55-45(52)44(49-31-34-23-24-35(53-8)29-41(34)54-9)40(58-59(10,11)46(3,4)5)26-27-48-42(50)21-15-13-14-20-37-33(28-39-32(2)22-25-38(37)39)18-16-17-19-36-30-43(51)57-47(6,7)56-36/h13-16,18,21-25,29-30,32-33,37-40,44,49H,12,17,19-20,26-28,31H2,1-11H3,(H,48,50)/b14-13-,18-16+,21-15+/t32-,33+,37-,38+,39+,40-,44-/m0/s1
SMILES: CCCCC(=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/C27H39NO10/c1-8-9-10-22(33)28-23-25(36-17(4)31)24(35-16(3)30)21(14-34-15(2)29)38-26(23)37-18-11-12-20(32)19(13-18)27(5,6)7/h11-13,21,23-26,32H,8-10,14H2,1-7H3,(H,28,33)/t21-,23+,24+,25+,26+/m0/s1
SMILES: C=C[C@@H]([C@@H]1[C@@H](CO[C@@H](O1)C2=CC=CC=C2)O)O
InChI: InChI=1S/C13H16O4/c1-2-10(14)12-11(15)8-16-13(17-12)9-6-4-3-5-7-9/h2-7,10-15H,1,8H2/t10-,11+,12+,13-/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)[C@@](N2)(CO)C(=O)OC
InChI: InChI=1S/C22H22N2O5/c1-13-8-10-14(11-9-13)18-16-17(22(12-25,23-18)21(28)29-2)20(27)24(19(16)26)15-6-4-3-5-7-15/h3-11,16-18,23,25H,12H2,1-2H3/t16-,17-,18-,22-/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2[C@H]3CC=C[C@@H]3C4=C(N2)C(=CC=C4)C(F)(F)F)Br)OC
InChI: InChI=1S/C21H19BrF3NO2/c1-27-17-10-11(9-16(22)20(17)28-2)18-13-6-3-5-12(13)14-7-4-8-15(19(14)26-18)21(23,24)25/h3-5,7-10,12-13,18,26H,6H2,1-2H3/t12-,13-,18-/m0/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)Br)O)C(=O)N(C5=O)CCCCCC(=O)O
InChI: InChI=1S/C39H38BrN3O7/c1-22-11-14-25(15-12-22)41-43-36(48)30-21-28-26(16-17-27-33(28)37(49)42(35(27)47)19-7-3-6-10-32(45)46)34(29-20-24(40)13-18-31(29)44)39(30,38(43)50)23-8-4-2-5-9-23/h2,4-5,8-9,11-16,18,20,27-28,30,33-34,41,44H,3,6-7,10,17,19,21H2,1H3,(H,45,46)/t27-,28+,30-,33-,34+,39+/m0/s1
SMILES: CCOC(=O)[C@H](C)[C@]1([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C)C)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C46H70O5Si2/c1-13-49-41(47)32(2)46(48)40(51-52(11,12)42(3,4)5)31-39-37-25-24-33-30-34(26-28-44(33,9)38(37)27-29-45(39,46)10)50-53(43(6,7)8,35-20-16-14-17-21-35)36-22-18-15-19-23-36/h14-24,32,34,37-40,48H,13,25-31H2,1-12H3/t32-,34-,37+,38-,39-,40+,44-,45-,46+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@H]3CCCO3)C(=O)N[C@H](C)C4=CC=CC=C4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(C=C6)C7=CC=CC=C7)C
InChI: InChI=1S/C49H58N2O5/c1-34-12-10-27-48(3)45(26-28-49(48,55)33-51(32-42-17-11-29-56-42)47(54)50-35(2)37-13-6-4-7-14-37)43-25-19-36(30-41(52)24-18-34)31-44(43)46(53)40-22-20-39(21-23-40)38-15-8-5-9-16-38/h4-9,12-16,19-23,25,31,35,41-42,45,52,55H,10-11,17-18,24,26-30,32-33H2,1-3H3,(H,50,54)/t35-,41+,42-,45+,48+,49-/m1/s1
SMILES: CC/C=C(\C)/[C@@H]1[C@H]([C@@H](C[C@@](O1)(CC(=O)OC)OC)O)C
InChI: InChI=1S/C15H26O5/c1-6-7-10(2)14-11(3)12(16)8-15(19-5,20-14)9-13(17)18-4/h7,11-12,14,16H,6,8-9H2,1-5H3/b10-7+/t11-,12+,14+,15+/m0/s1
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)\C)/C
InChI: InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8-,16-14-/t20-,21-,22+,23-,25+/m0/s1
SMILES: CC1([C@H]2CC[C@@]1([C@](C2)(CC(=O)OC)O)CS(=O)(=O)N3CCC4(CC3)C=CC5=CC=CC=C45)C
InChI: InChI=1S/C26H35NO5S/c1-23(2)20-9-11-25(23,26(29,16-20)17-22(28)32-3)18-33(30,31)27-14-12-24(13-15-27)10-8-19-6-4-5-7-21(19)24/h4-8,10,20,29H,9,11-18H2,1-3H3/t20-,25+,26-/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCCC3=NC(=NO3)C4=CC=NC=C4
InChI: InChI=1S/C18H18N4O3/c23-17-13-4-1-2-5-14(13)18(24)22(17)11-3-6-15-20-16(21-25-15)12-7-9-19-10-8-12/h1-2,7-10,13-14H,3-6,11H2/t13-,14-/m1/s1
SMILES: CC(C)C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)N[C@@H]4C[C@@]5(CCCO5)C[C@@H]4C(=O)NO
InChI: InChI=1S/C27H32N4O4/c1-17(2)24-28-21-6-3-4-7-23(21)31(24)16-18-8-10-19(11-9-18)25(32)29-22-15-27(12-5-13-35-27)14-20(22)26(33)30-34/h3-4,6-11,17,20,22,34H,5,12-16H2,1-2H3,(H,29,32)(H,30,33)/t20-,22+,27+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
InChI: InChI=1S/C35H54O14/c1-33-8-5-18(46-32-30(28(42)26(40)23(14-37)48-32)49-31-29(43)27(41)25(39)22(13-36)47-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(38)45-15-16/h11,17-23,25-32,36-37,39-44H,3-10,12-15H2,1-2H3/t17-,18+,19-,20+,21-,22-,23-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+/m1/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=CC=C(C=C4)OCCO)C(=O)N(C3=O)C5=CC=C(C=C5)C(=O)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9
InChI: InChI=1S/C48H38N2O8/c51-25-26-58-35-21-15-28(16-22-35)40-36-23-24-37-41(47(56)49(45(37)54)33-17-11-31(12-18-33)43(52)29-7-3-1-4-8-29)38(36)27-39-42(40)48(57)50(46(39)55)34-19-13-32(14-20-34)44(53)30-9-5-2-6-10-30/h1-23,37-42,51H,24-27H2/t37-,38+,39+,40-,41-,42+/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)NNC(=O)C(=O)N)O)O)O)O
InChI: InChI=1S/C8H15N3O7/c9-6(16)7(17)10-11-8-5(15)4(14)3(13)2(1-12)18-8/h2-5,8,11-15H,1H2,(H2,9,16)(H,10,17)/t2-,3+,4+,5+,8-/m1/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC5=CC=CC(=N5)C)OCC=C)CCCCO)CCCCO)S(=O)(=O)C6=CC=CC7=C6N=CC=C7
InChI: InChI=1S/C50H64N4O8S/c1-7-26-54(63(57,58)44-22-14-18-35-19-15-25-51-48(35)44)45-32-42(53-62-49(4,5)6)40-30-36(17-9-11-27-55)39(21-10-12-28-56)46-41-31-38(59-33-37-20-13-16-34(3)52-37)23-24-43(41)61-50(45,47(40)46)60-29-8-2/h8,13-16,18-20,22-25,30-31,36,39,45-47,55-56H,2,7,9-12,17,21,26-29,32-33H2,1,3-6H3/t36-,39+,45-,46+,47+,50+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCC4
InChI: InChI=1S/C23H31N3O2S/c1-15-8-7-13-20(16(15)2)26-22(28)18-11-5-6-12-19(18)25-23(26)29-14-21(27)24-17-9-3-4-10-17/h5-6,11-12,15-17,20H,3-4,7-10,13-14H2,1-2H3,(H,24,27)/t15-,16+,20-/m0/s1
SMILES: CCCC[N+](C)(CCCC)CCO[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C
InChI: InChI=1S/C21H42NO/c1-7-9-13-22(6,14-10-8-2)15-16-23-19-17-18-11-12-21(19,5)20(18,3)4/h18-19H,7-17H2,1-6H3/q+1/t18-,19+,21+/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)N=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4
InChI: InChI=1S/C28H31N3O4/c29-31-30-26-25(32)16-24(20-33-17-21-10-4-1-5-11-21)27(34-18-22-12-6-2-7-13-22)28(26)35-19-23-14-8-3-9-15-23/h1-15,24-28,32H,16-20H2/t24-,25-,26+,27-,28-/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C26H23N3O7S/c1-4-35-26(32)19-14(2)15(3)37-25(19)27-23(30)20-21(16-9-8-12-18(13-16)29(33)34)28(36-22(20)24(27)31)17-10-6-5-7-11-17/h5-13,20-22H,4H2,1-3H3/t20-,21+,22+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NN=C(N2N)C3=CC=CO3
InChI: InChI=1S/C16H23N5O2S/c1-10-6-3-4-7-12(10)18-15(22)11(2)24-16-20-19-14(21(16)17)13-8-5-9-23-13/h5,8-12H,3-4,6-7,17H2,1-2H3,(H,18,22)/t10-,11+,12+/m0/s1
SMILES: C1C[C@@H]2C=C[C@H]1[C@@H]([C@H]2C(=O)[O-])C(=O)NCC3=CC=CS3
InChI: InChI=1S/C15H17NO3S/c17-14(16-8-11-2-1-7-20-11)12-9-3-5-10(6-4-9)13(12)15(18)19/h1-3,5,7,9-10,12-13H,4,6,8H2,(H,16,17)(H,18,19)/p-1/t9-,10+,12+,13+/m1/s1
SMILES: C[C@@H]1C/C=C/C=C/C(=O)[C@@H](C[C@@H]2CC(O[C@@H]2[C@H]([C@@H](CC(=O)O1)O)OC)OC)C
InChI: InChI=1S/C21H32O7/c1-13-10-15-11-19(25-3)28-20(15)21(26-4)17(23)12-18(24)27-14(2)8-6-5-7-9-16(13)22/h5-7,9,13-15,17,19-21,23H,8,10-12H2,1-4H3/b6-5+,9-7+/t13-,14-,15-,17-,19?,20+,21+/m1/s1
SMILES: CC(C)(C)[C@H]1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)F)F
InChI: InChI=1S/C23H22F2N4/c1-22(2,3)14-5-6-15-16(9-14)20(13-4-7-18(24)19(25)8-13)23(11-27,12-28)21(29)17(15)10-26/h4,6-8,14,16,20H,5,9,29H2,1-3H3/t14-,16-,20+/m0/s1
SMILES: CCO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)C#CCCO)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C31H29N5O6S2/c1-2-41-35-23(22-18-44-31(32)33-22)27(38)34-24-28(39)36-25(21(15-9-10-16-37)17-43-29(24)36)30(40)42-26(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,17-18,24-26,29,37H,2,10,16H2,1H3,(H2,32,33)(H,34,38)/b35-23-/t24-,25?,29-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1SC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OS(=O)(=O)O)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C35H41NO18S2/c1-18(37)36-26-29(49-21(4)40)27(48-20(3)39)24(16-47-19(2)38)51-35(26)55-17-25-28(54-56(43,44)45)30(52-32(41)22-12-8-6-9-13-22)31(34(46-5)50-25)53-33(42)23-14-10-7-11-15-23/h6-15,24-31,34-35H,16-17H2,1-5H3,(H,36,37)(H,43,44,45)/t24-,25-,26-,27-,28-,29-,30+,31-,34+,35+/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]3C=C[C@H]([C@@]2(O1)C(=O)OC)[C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=CC=C5)C
InChI: InChI=1S/C21H21NO6/c1-20(2)27-16-12-9-10-13(21(16,28-20)19(25)26-3)15-14(12)17(23)22(18(15)24)11-7-5-4-6-8-11/h4-10,12-16H,1-3H3/t12-,13+,14-,15+,16-,21+/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=C(C=C7)O)OC)C(=O)N(C5=O)CC8=CC=CS8
InChI: InChI=1S/C39H35N3O6S/c1-22-10-12-24(13-11-22)40-42-36(45)31-20-30-27(16-17-29-33(30)37(46)41(35(29)44)21-26-9-6-18-49-26)34(28-15-14-25(43)19-32(28)48-2)39(31,38(42)47)23-7-4-3-5-8-23/h3-16,18-19,29-31,33-34,40,43H,17,20-21H2,1-2H3/t29-,30+,31-,33-,34+,39+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H]2C(=O)OC)C3=CC=CC=C3Cl
InChI: InChI=1S/C17H16ClNO4S/c1-11-7-9-12(10-8-11)24(21,22)19-15(16(19)17(20)23-2)13-5-3-4-6-14(13)18/h3-10,15-16H,1-2H3/t15-,16+,19?/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3
InChI: InChI=1S/C17H22N2O2/c1-11(20)18-15-4-6-16(7-5-15)19-17(21)10-14-9-12-2-3-13(14)8-12/h4-7,12-14H,2-3,8-10H2,1H3,(H,18,20)(H,19,21)/t12-,13-,14+/m0/s1
SMILES: CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N
InChI: InChI=1S/C39H69N11O10S2/c1-23(2)18-24(19-31(52)50-60)36(56)46-26(11-6-8-15-40)38(58)47-27(14-17-61-3)37(57)44-20-32(53)43-21-33(54)45-25(35(41)55)10-7-9-16-42-30(51)13-5-4-12-29-34-28(22-62-29)48-39(59)49-34/h23-29,34,60H,4-22,40H2,1-3H3,(H2,41,55)(H,42,51)(H,43,53)(H,44,57)(H,45,54)(H,46,56)(H,47,58)(H,50,52)(H2,48,49,59)/t24?,25-,26-,27-,28-,29-,34-/m0/s1
SMILES: C1=CC2=C(C(=C1)O)NC3=C4C(=C5C(=C23)C(=O)N(C5=O)NCC6=CN=C(C=C6)CO)C7=C(N4[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C(=CC=C7)O
InChI: InChI=1S/C33H29N5O10/c39-11-14-8-7-13(9-34-14)10-35-38-31(46)22-20-15-3-1-5-17(41)24(15)36-25(20)27-21(23(22)32(38)47)16-4-2-6-18(42)26(16)37(27)33-30(45)29(44)28(43)19(12-40)48-33/h1-9,19,28-30,33,35-36,39-45H,10-12H2/t19-,28-,29+,30-,33-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)CCC(=O)O)CSC4=NN=NN4C
InChI: InChI=1S/C25H29N5O6S/c1-15-20(14-37-25-27-28-29-30(25)2)35-24(36-23(15)17-8-6-16(13-31)7-9-17)18-4-3-5-19(12-18)26-21(32)10-11-22(33)34/h3-9,12,15,20,23-24,31H,10-11,13-14H2,1-2H3,(H,26,32)(H,33,34)/t15-,20+,23+,24+/m1/s1
SMILES: C1=CN(C(=O)C(=C1)C(=O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C11H13NO7/c13-4-6-7(14)8(15)10(19-6)12-3-1-2-5(9(12)16)11(17)18/h1-3,6-8,10,13-15H,4H2,(H,17,18)/t6-,7-,8-,10-/m1/s1
SMILES: C[C@@H]1[C@@H](C(=O)N1S(=O)(=O)O)N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C14H25N3O8S/c1-8-9(10(18)17(8)26(21,22)23)16(12(20)25-14(5,6)7)15-11(19)24-13(2,3)4/h8-9H,1-7H3,(H,15,19)(H,21,22,23)/t8-,9+/m1/s1
SMILES: C[C@H]1[C@@H](O[C@@H]2[C@H]1[C@H](OC3=CC=CC=C23)C=C(C)C)C
InChI: InChI=1S/C17H22O2/c1-10(2)9-15-16-11(3)12(4)18-17(16)13-7-5-6-8-14(13)19-15/h5-9,11-12,15-17H,1-4H3/t11-,12-,15+,16+,17-/m0/s1
SMILES: C[C@]1(CC[C@@]2([C@@H](C1)CC[C@@H]3[C@]24CCC[C@@]3(C(=O)O4)C)C)C=C
InChI: InChI=1S/C20H30O2/c1-5-17(2)11-12-19(4)14(13-17)7-8-15-18(3)9-6-10-20(15,19)22-16(18)21/h5,14-15H,1,6-13H2,2-4H3/t14-,15+,17-,18+,19-,20-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)C4=CC(=CC(=C4)Cl)Cl
InChI: InChI=1S/C22H24Cl2N2O3S/c1-14-2-6-20(7-3-14)30(28,29)26(19-11-17(23)10-18(24)12-19)13-22(27)25-21-9-15-4-5-16(21)8-15/h2-3,6-7,10-12,15-16,21H,4-5,8-9,13H2,1H3,(H,25,27)/t15-,16-,21+/m0/s1
SMILES: CC(C)(C)C1=C(C=C(C=C1)C(=O)N2[C@H]([C@H](C[C@@]2(CC(=O)NC)C(=O)O)C3=NC=CN=C3)C4=NC=CS4)OC
InChI: InChI=1S/C27H31N5O5S/c1-26(2,3)18-7-6-16(12-20(18)37-5)24(34)32-22(23-31-10-11-38-23)17(19-15-29-8-9-30-19)13-27(32,25(35)36)14-21(33)28-4/h6-12,15,17,22H,13-14H2,1-5H3,(H,28,33)(H,35,36)/t17-,22-,27-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CBr)CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C
InChI: InChI=1S/C25H40BrNO3/c1-24-8-7-19-17(18(24)5-6-20(24)23(29)15-26)4-3-16-13-22(28)21(14-25(16,19)2)27-9-11-30-12-10-27/h16-22,28H,3-15H2,1-2H3/t16-,17-,18-,19-,20+,21-,22-,24-,25-/m0/s1
SMILES: COC1=CC(=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)CNC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6)O)OC
InChI: InChI=1S/C33H33N7O6/c1-44-22-13-21(14-23(15-22)45-2)31(42)39-26-28(41)24(46-33(26)40-18-38-27-29(34)36-17-37-30(27)40)16-35-32(43)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,17-18,24-26,28,33,41H,16H2,1-2H3,(H,35,43)(H,39,42)(H2,34,36,37)/t24-,26-,28-,33-/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O[C@@H]2CCCC[C@H]2CN(C)C
InChI: InChI=1S/C20H32N2O4S/c1-5-22(6-2)27(24,25)18-13-11-16(12-14-18)20(23)26-19-10-8-7-9-17(19)15-21(3)4/h11-14,17,19H,5-10,15H2,1-4H3/t17-,19+/m0/s1
SMILES: CCCC[C@@H]1[C@@H](C[C@H](N1C(=O)OC(C)(C)C)C(=O)OCC)CC2=CC=CC=C2
InChI: InChI=1S/C23H35NO4/c1-6-8-14-19-18(15-17-12-10-9-11-13-17)16-20(21(25)27-7-2)24(19)22(26)28-23(3,4)5/h9-13,18-20H,6-8,14-16H2,1-5H3/t18-,19-,20+/m1/s1
SMILES: C[C@H]1CC=C2[C@@H]([C@@]1(C)CO[Si](C)(C)C)CCC[C@]2(C)CCCC(=C)C
InChI: InChI=1S/C23H42OSi/c1-18(2)11-9-15-22(4)16-10-12-21-20(22)14-13-19(3)23(21,5)17-24-25(6,7)8/h14,19,21H,1,9-13,15-17H2,2-8H3/t19-,21-,22-,23-/m0/s1
SMILES: C=C1[C@@H]([C@H](NC(=O)N1)C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C26H25N3O3/c1-18-23(25(30)27-16-19-10-4-2-5-11-19)24(29-26(31)28-18)21-14-8-9-15-22(21)32-17-20-12-6-3-7-13-20/h2-15,23-24H,1,16-17H2,(H,27,30)(H2,28,29,31)/t23-,24+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@H]2[C@H](C(=N)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OCC(=C)CO2)C)C)C)(C)O
InChI: InChI=1S/C33H58N2O9/c1-12-24-33(9,39)29-20(5)25(34)18(3)14-32(8,41-16-17(2)15-40-29)28(21(6)26(36)22(7)30(38)43-24)44-31-27(37)23(35(10)11)13-19(4)42-31/h18-24,26-29,31,34,36-37,39H,2,12-16H2,1,3-11H3/t18-,19-,20+,21+,22-,23+,24-,26+,27-,28-,29-,31+,32-,33-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC[C@@H](C(=O)N[C@@H](COCC2=CC=CC=C2)C(=O)NCC(=O)OC)NC(=O)OCC3=CC=CC=C3)N=[N+]=[N-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C36H44N6O15/c1-21(43)52-20-28-31(55-22(2)44)32(56-23(3)45)30(41-42-37)35(57-28)53-19-27(40-36(49)54-17-25-13-9-6-10-14-25)34(48)39-26(33(47)38-15-29(46)50-4)18-51-16-24-11-7-5-8-12-24/h5-14,26-28,30-32,35H,15-20H2,1-4H3,(H,38,47)(H,39,48)(H,40,49)/t26-,27-,28+,30+,31-,32+,35?/m0/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=CC(=CC=C7)O)C(=O)N(C5=O)C8=CC(=C(C=C8)C)Cl
InChI: InChI=1S/C40H34ClN3O5/c1-22-11-14-26(15-12-22)42-44-37(47)32-21-31-29(17-18-30-34(31)38(48)43(36(30)46)27-16-13-23(2)33(41)20-27)35(24-7-6-10-28(45)19-24)40(32,39(44)49)25-8-4-3-5-9-25/h3-17,19-20,30-32,34-35,42,45H,18,21H2,1-2H3/t30-,31+,32-,34-,35-,40+/m0/s1
SMILES: COC1=CC(=CC2=C1N[C@H]([C@@H]3[C@@H]2[C@@H]([C@@H](C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=CC=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C25H22ClN3O5S/c1-34-19-12-15(28(30)31)11-16-22-17(24(27-25(16)19)14-7-3-2-4-8-14)13-21(23(22)26)35-20-10-6-5-9-18(20)29(32)33/h2-12,17,21-24,27H,13H2,1H3/t17-,21+,22+,23+,24-/m0/s1
SMILES: CCOC(=O)CCCCC(=O)/C=C/[C@H]1[C@@H](CC(=O)[C@H]1CCC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H44O7Si/c1-8-31-24(29)13-11-10-12-19(27)14-15-21-20(16-17-25(30)32-9-2)22(28)18-23(21)33-34(6,7)26(3,4)5/h14-15,20-21,23H,8-13,16-18H2,1-7H3/b15-14+/t20-,21+,23+/m0/s1
SMILES: CN(CC=C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2CN3C=C(N=N3)CCO
InChI: InChI=1S/C17H27N5O2/c1-3-6-20(2)17(24)16-12-21-7-4-13(16)9-15(21)11-22-10-14(5-8-23)18-19-22/h3,10,13,15-16,23H,1,4-9,11-12H2,2H3/t13-,15-,16+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@]23CN2[C@@H]4CC[C@H]3C(=C4)O[Si](C)(C)C)C(C)(C)C5=CC=CC=C5
InChI: InChI=1S/C28H41NO3Si/c1-19-12-14-22(27(2,3)20-10-8-7-9-11-20)24(16-19)31-26(30)28-18-29(28)21-13-15-23(28)25(17-21)32-33(4,5)6/h7-11,17,19,21-24H,12-16,18H2,1-6H3/t19-,21-,22-,23+,24-,28-,29?/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N/N=C\2/C[C@H]3[C@@H]2CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H22N4O4S/c1-3-20(4-2)26(24,25)13-8-9-15(17(11-13)21(22)23)18-19-16-10-12-6-5-7-14(12)16/h5-6,8-9,11-12,14,18H,3-4,7,10H2,1-2H3/b19-16-/t12-,14-/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)CNC(=O)CCCCCNC(=O)C)CSC4=CC=CC=[N+]4[O-]
InChI: InChI=1S/C33H41N3O6S/c1-23-29(22-43-31-9-5-7-19-36(31)40)41-33(42-32(23)27-14-12-26(21-37)13-15-27)28-16-10-25(11-17-28)20-35-30(39)8-4-3-6-18-34-24(2)38/h5,7,9-17,19,23,29,32-33,37H,3-4,6,8,18,20-22H2,1-2H3,(H,34,38)(H,35,39)/t23-,29+,32+,33+/m1/s1
SMILES: C[C@@H]1CO[C@]2(O1)[C@@]3([C@@H]([C@@]3(C(=[NH+]2)N)C#N)C4=C(C(=CC=C4)OC)OC)C#N
InChI: InChI=1S/C18H18N4O4/c1-10-7-25-18(26-10)17(9-20)14(16(17,8-19)15(21)22-18)11-5-4-6-12(23-2)13(11)24-3/h4-6,10,14H,7H2,1-3H3,(H2,21,22)/p+1/t10-,14-,16-,17-,18+/m1/s1
SMILES: COC(=O)[C@@]1(C[C@H]1C(=O)NO)C2=CC(=CC=C2)OC3=CC=C(C=C3)C#N
InChI: InChI=1S/C19H16N2O5/c1-25-18(23)19(10-16(19)17(22)21-24)13-3-2-4-15(9-13)26-14-7-5-12(11-20)6-8-14/h2-9,16,24H,10H2,1H3,(H,21,22)/t16-,19-/m0/s1
SMILES: C[C@@H](COC1=CC=C(C=C1)OC)[C@H]2CCC[C@@]2(C/C=C/C(=O)CCCOCOCCOC)NC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C34H47NO8/c1-27(24-42-31-17-15-30(39-3)16-18-31)32-14-8-20-34(32,35-33(37)43-25-28-10-5-4-6-11-28)19-7-12-29(36)13-9-21-40-26-41-23-22-38-2/h4-7,10-12,15-18,27,32H,8-9,13-14,19-26H2,1-3H3,(H,35,37)/b12-7+/t27-,32+,34+/m0/s1
SMILES: C[C@H]1[C@@H]2CO[C@@H](O2)[C@H]([C@@H]1OCC3=CC=C(C=C3)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C24H40O5Si/c1-15(2)30(16(3)4,17(5)6)29-23-22(18(7)21-14-27-24(23)28-21)26-13-19-9-11-20(25-8)12-10-19/h9-12,15-18,21-24H,13-14H2,1-8H3/t18-,21-,22+,23-,24-/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=C(C=C6)F)Cl)C)C(=O)N(C4=O)C7=CC=C(C=C7)Br
InChI: InChI=1S/C35H29BrClFN2O6/c1-3-46-27-6-4-5-22(30(27)41)29-20-12-13-21-28(33(44)39(31(21)42)18-9-7-17(36)8-10-18)23(20)16-24-32(43)40(34(45)35(24,29)2)19-11-14-26(38)25(37)15-19/h4-12,14-15,21,23-24,28-29,41H,3,13,16H2,1-2H3/t21-,23+,24-,28-,29+,35+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C2=C(C[C@@]1(C)O)NNC2=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H19N3O6/c1-3-26-16(22)14-12(9-4-6-10(7-5-9)20(24)25)13-11(8-17(14,2)23)18-19-15(13)21/h4-7,12,14,23H,3,8H2,1-2H3,(H2,18,19,21)/t12-,14-,17+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\CCCC(C3=C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C33H58OSi/c1-24(2)14-11-15-25(3)29-21-22-30-28(17-13-23-33(29,30)8)20-19-27-16-12-18-31(26(27)4)34-35(9,10)32(5,6)7/h19-20,24-25,29-31H,4,11-18,21-23H2,1-3,5-10H3/b27-19-,28-20+/t25-,29-,30+,31?,33-/m1/s1
SMILES: CCOC(=O)C[C@@]1(CC[C@@H]([C@@H]1COCC2=CC=CC=C2)OCC3=CC=CC=C3)C
InChI: InChI=1S/C25H32O4/c1-3-28-24(26)16-25(2)15-14-23(29-18-21-12-8-5-9-13-21)22(25)19-27-17-20-10-6-4-7-11-20/h4-13,22-23H,3,14-19H2,1-2H3/t22-,23-,25-/m0/s1
SMILES: CC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C19H19N3O3S/c1-10(22-18(24)13-5-3-4-6-14(13)19(22)25)17(23)21-12-7-8-15-16(9-12)26-11(2)20-15/h3-4,7-10,13-14H,5-6H2,1-2H3,(H,21,23)/t10-,13-,14+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]13[C@H](O3)C[C@@]4([C@@H](O4)CCC(=C)CC2)COC(=O)C5=CC=CC=C5)C(C)(C)O
InChI: InChI=1S/C27H36O5/c1-18-10-11-21-26(31-21,17-30-23(28)19-8-6-5-7-9-19)16-22-27(32-22)20(24(2,3)29)13-15-25(27,4)14-12-18/h5-9,20-22,29H,1,10-17H2,2-4H3/t20-,21-,22+,25+,26-,27+/m0/s1
SMILES: CC1=CC=C(C=C1)NC2=C([C@H]([C@H]([C@@](C2)(C)O)C(=O)C)C3=CC=C(C=C3)F)C(=O)C
InChI: InChI=1S/C24H26FNO3/c1-14-5-11-19(12-6-14)26-20-13-24(4,29)23(16(3)28)22(21(20)15(2)27)17-7-9-18(25)10-8-17/h5-12,22-23,26,29H,13H2,1-4H3/t22-,23-,24+/m1/s1
SMILES: CCC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])C
InChI: InChI=1S/C20H26N2O5S/c1-3-13-12(2)28-18(16(13)19(24)22-8-10-27-11-9-22)21-17(23)14-6-4-5-7-15(14)20(25)26/h4-5,14-15H,3,6-11H2,1-2H3,(H,21,23)(H,25,26)/p-1/t14-,15-/m1/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC5CCCCO5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CCOCCO)C(=O)OCCC=C)OCC=C)C=O
InChI: InChI=1S/C49H66N2O13/c1-4-6-25-60-48(56)51(20-27-58-28-23-54)44-32-41(50-64-45-15-9-12-26-59-45)39-30-34(13-7-10-21-52)38(14-8-11-22-53)46-40-31-37(62-36-16-18-42(57-3)35(29-36)33-55)17-19-43(40)63-49(44,47(39)46)61-24-5-2/h4-5,16-19,29-31,33-34,38,44-47,52-54H,1-2,6-15,20-28,32H2,3H3/t34-,38+,44-,45?,46+,47+,49+/m0/s1
SMILES: CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CC[C@@H]4CCCC[C@H]4C3
InChI: InChI=1S/C20H24N2OS/c1-14-6-8-16(9-7-14)19-21-18(13-24-19)20(23)22-11-10-15-4-2-3-5-17(15)12-22/h6-9,13,15,17H,2-5,10-12H2,1H3/t15-,17-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H](C1=CC=C2)CC[C@@H]4[C@@]3(CC[C@@H](C4)OC)C
InChI: InChI=1S/C20H30O/c1-19-10-4-5-17(19)16-7-6-14-13-15(21-3)8-12-20(14,2)18(16)9-11-19/h4-5,10,14-16,18H,6-9,11-13H2,1-3H3/t14-,15-,16-,18-,19-,20-/m0/s1
SMILES: CC(C)[Si]1([C@H]2[C@H]3[C@@H](O1)C[C@@H](ON3O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O)O[C@H]4CCCC[C@@H]4C5=CC=CC=C5)C(C)C
InChI: InChI=1S/C32H55NO6Si2/c1-21(2)41(22(3)4)31-29-27(39-41)19-28(36-26-18-14-13-17-24(26)23-15-11-10-12-16-23)37-33(29)38-30(31)25(34)20-35-40(8,9)32(5,6)7/h10-12,15-16,21-22,24-31,34H,13-14,17-20H2,1-9H3/t24-,25-,26+,27+,28-,29-,30-,31+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@](C[C@@H]2[C@@](O1)(CCCC(O2)(C)C)C)(C)O
InChI: InChI=1S/C16H28O5/c1-11(17)19-10-13-15(4,18)9-12-16(5,21-13)8-6-7-14(2,3)20-12/h12-13,18H,6-10H2,1-5H3/t12-,13-,15+,16+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=[N-])Cl
InChI: InChI=1S/C10H12ClN5O4/c1-4-2-16(10(19)13-8(4)18)9-6(11)7(14-15-12)5(3-17)20-9/h2,5-7,9,17H,3H2,1H3,(H,13,18,19)/t5-,6-,7-,9-/m1/s1