EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)[C@H]3[C@H]4[C@@H]([C@@H]5[NH+]3C=CC6=CC=CC=C56)C(=O)NC4=O
InChI: InChI=1S/C22H16N2O5/c25-20(12-5-6-14-15(9-12)29-10-28-14)19-17-16(21(26)23-22(17)27)18-13-4-2-1-3-11(13)7-8-24(18)19/h1-9,16-19H,10H2,(H,23,26,27)/p+1/t16-,17+,18+,19+/m0/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=CC=CC=C6O)C(=O)N(C5=O)C(=O)N)C(=O)N(C3=O)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C34H28Cl2N4O7/c1-47-18-9-6-16(7-10-18)34-23(30(43)40(32(34)45)38-25-13-8-17(35)14-24(25)36)15-22-19(28(34)20-4-2-3-5-26(20)41)11-12-21-27(22)31(44)39(29(21)42)33(37)46/h2-11,13-14,21-23,27-28,38,41H,12,15H2,1H3,(H2,37,46)/t21-,22+,23-,27-,28+,34+/m0/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=N\NC(=O)COC3=CC=CC(=C3)C
InChI: InChI=1S/C18H20N2O3/c1-12-4-3-5-14(8-12)22-11-18(21)20-19-10-15-6-7-17(23-15)16-9-13(16)2/h3-8,10,13,16H,9,11H2,1-2H3,(H,20,21)/b19-10-/t13-,16+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NCC2CC2)C3=COC4=CC=CC=C4C3=O)CCOCCOCCO
InChI: InChI=1S/C27H35NO8/c1-2-34-27-19(9-11-32-13-14-33-12-10-29)21(15-24(36-27)26(31)28-16-18-7-8-18)22-17-35-23-6-4-3-5-20(23)25(22)30/h3-6,15,17-19,21,27,29H,2,7-14,16H2,1H3,(H,28,31)/t19-,21-,27+/m1/s1
SMILES: C1CC2=C([C@@H]([C@H]1OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5C=C2
InChI: InChI=1S/C32H24O4/c33-31(22-9-3-1-4-10-22)35-28-18-17-21-15-16-26-19-24-13-7-8-14-25(24)20-27(26)29(21)30(28)36-32(34)23-11-5-2-6-12-23/h1-16,19-20,28,30H,17-18H2/t28-,30+/m0/s1
SMILES: C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@@]43C/C=C/SC
InChI: InChI=1S/C22H28O2S/c1-21-11-9-19-17(18(21)6-7-20(21)24)5-4-15-14-16(23)8-12-22(15,19)10-3-13-25-2/h3,9,13-14,17-18H,4-8,10-12H2,1-2H3/b13-3+/t17-,18-,21-,22-/m0/s1
SMILES: C1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1C4=CC(=C(C=C4)Cl)F)C(=O)O
InChI: InChI=1S/C15H11ClFNO4/c16-8-2-1-7(5-9(8)17)18-6-15-4-3-10(22-15)11(14(20)21)12(15)13(18)19/h1-5,10-12H,6H2,(H,20,21)/t10-,11+,12-,15-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2CC=C[C@H]([C@@]23C(=O)OC(=N3)C4=CC=CC=C4)O[Si](C)(C)C)C
InChI: InChI=1S/C22H29NO5Si/c1-21(2)25-14-17(27-21)16-12-9-13-18(28-29(3,4)5)22(16)20(24)26-19(23-22)15-10-7-6-8-11-15/h6-11,13,16-18H,12,14H2,1-5H3/t16-,17+,18+,22+/m0/s1
SMILES: B1(O[C@H]2C[C@@]34C[C@@H]([C@]2(O1)C)C([C@@H]3CC[C@H]4C)(C)C)[C@H](CC5=CC=CC=C5)Cl
InChI: InChI=1S/C23H32BClO2/c1-15-10-11-17-21(2,3)18-13-23(15,17)14-19-22(18,4)27-24(26-19)20(25)12-16-8-6-5-7-9-16/h5-9,15,17-20H,10-14H2,1-4H3/t15-,17+,18-,19+,20+,22-,23-/m1/s1
SMILES: CCCCCCCOC[C@]12[C@H]([C@@H]([C@@H](O1)CCCN3CCCC3)OC(=O)NC4=CC=C(C=C4)Cl)OC(O2)(C)C
InChI: InChI=1S/C29H45ClN2O6/c1-4-5-6-7-10-20-34-21-29-26(37-28(2,3)38-29)25(24(36-29)12-11-19-32-17-8-9-18-32)35-27(33)31-23-15-13-22(30)14-16-23/h13-16,24-26H,4-12,17-21H2,1-3H3,(H,31,33)/t24-,25+,26-,29-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H](C(O2)Br)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C26H21BrO7/c27-23-22(34-26(30)19-14-8-3-9-15-19)21(33-25(29)18-12-6-2-7-13-18)20(32-23)16-31-24(28)17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21-,22+,23?/m1/s1
SMILES: C1C[C@H]([C@@H](C1)C(=O)NCC2=CC(=CC=C2)Br)C(=O)NCC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N
InChI: InChI=1S/C27H28BrN3O4S/c28-21-6-3-5-19(15-21)17-31-27(33)24-9-4-8-23(24)26(32)30-16-18-11-13-20(14-12-18)22-7-1-2-10-25(22)36(29,34)35/h1-3,5-7,10-15,23-24H,4,8-9,16-17H2,(H,30,32)(H,31,33)(H2,29,34,35)/t23-,24-/m1/s1
SMILES: CCN1C[C@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@H](C31)[C@]5([C@H]([C@@H]([C@]6(C[C@@H]4[C@@]5([C@H]6O)O)O)OC)O)O)OC)OC)O)COC
InChI: InChI=1S/C25H41NO10/c1-6-26-9-21(10-33-2)12(27)7-13(34-3)23-11-8-22(30)19(36-5)18(28)25(32,24(11,31)20(22)29)14(17(23)26)15(35-4)16(21)23/h11-20,27-32H,6-10H2,1-5H3/t11-,12+,13-,14+,15-,16+,17?,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1
SMILES: C(CCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)CN
InChI: InChI=1S/C16H32N2O11/c17-3-1-2-4-18-15(27)12(25)11(24)14(7(21)5-19)29-16-13(26)10(23)9(22)8(6-20)28-16/h7-14,16,19-26H,1-6,17H2,(H,18,27)/t7-,8-,9+,10+,11-,12-,13-,14-,16+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CC2=NC(=C([C@H](C2C1=O)C3=CC=CC=C3)C(=O)OCC)C)C4=CC=C(C=C4)OC
InChI: InChI=1S/C29H31NO6/c1-5-35-28(32)23-17(3)30-22-16-21(18-12-14-20(34-4)15-13-18)25(29(33)36-6-2)27(31)26(22)24(23)19-10-8-7-9-11-19/h7-15,21,24-26H,5-6,16H2,1-4H3/t21-,24-,25-,26?/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(N(C(C)C)C(C)C)OCCC#N)OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI: InChI=1S/C40H49N4O8P/c1-27(2)44(28(3)4)53(49-23-11-22-41)50-26-36-35(24-37(51-36)43-25-29(5)38(45)42-39(43)46)52-40(30-12-9-8-10-13-30,31-14-18-33(47-6)19-15-31)32-16-20-34(48-7)21-17-32/h8-10,12-21,25,27-28,35-37H,11,23-24,26H2,1-7H3,(H,42,45,46)/t35-,36+,37+,53?/m0/s1
SMILES: C1C2=CC=CC=[N+]2[C@@H]([C@@]1(C3=CC=CC=C3)O)C4=CC=CC=C4
InChI: InChI=1S/C20H18NO/c22-20(17-11-5-2-6-12-17)15-18-13-7-8-14-21(18)19(20)16-9-3-1-4-10-16/h1-14,19,22H,15H2/q+1/t19-,20-/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC(=CC=C7)[N+](=O)[O-])Br)O
InChI: InChI=1S/C33H23BrCl2FN3O8/c1-48-24-12-15(11-23(34)27(24)41)26-20-9-10-21-25(29(43)38(28(21)42)18-3-2-4-19(13-18)40(46)47)22(20)14-32(35)30(44)39(31(45)33(26,32)36)17-7-5-16(37)6-8-17/h2-9,11-13,21-22,25-26,41H,10,14H2,1H3/t21-,22+,25-,26-,32+,33-/m0/s1
SMILES: C1=C(C(=O)NC(=S)N1[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)CNCC(=O)O
InChI: InChI=1S/C12H17N3O7S/c16-4-6-8(19)9(20)11(22-6)15-3-5(1-13-2-7(17)18)10(21)14-12(15)23/h3,6,8-9,11,13,16,19-20H,1-2,4H2,(H,17,18)(H,14,21,23)/t6-,8+,9-,11-/m1/s1
SMILES: CC(=O)N[C@H]1[C@H](C[C@H](C[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C
InChI: InChI=1S/C27H39NO15/c1-12(29)28-23-19(10-36-13(2)30)8-20(38-15(4)32)9-21(23)42-27-26(41-18(7)35)25(40-17(6)34)24(39-16(5)33)22(43-27)11-37-14(3)31/h19-27H,8-11H2,1-7H3,(H,28,29)/t19-,20-,21-,22-,23+,24-,25+,26-,27-/m1/s1
SMILES: C[C@@]1([C@@H]([C@@H](C2=C(O1)C=CC(=C2)N)N3C4=CC=CC=C4OC3=S)O)C(OC)OC
InChI: InChI=1S/C20H22N2O5S/c1-20(18(24-2)25-3)17(23)16(12-10-11(21)8-9-14(12)27-20)22-13-6-4-5-7-15(13)26-19(22)28/h4-10,16-18,23H,21H2,1-3H3/t16-,17-,20-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI: InChI=1S/C43H80O12S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(45)54-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)33-52-38(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,36-37,40-43,46-48H,3-16,19-35H2,1-2H3,(H,49,50,51)/b18-17-/t36?,37-,40-,41+,42-,43+/m1/s1
SMILES: C1=CC2=C(C=C1Cl)[C@@H]3[C@H]([C@H](SC4=C3SC(=O)N4)C(=O)[O-])C(=O)O2
InChI: InChI=1S/C14H8ClNO5S2/c15-4-1-2-6-5(3-4)7-8(13(19)21-6)10(12(17)18)22-11-9(7)23-14(20)16-11/h1-3,7-8,10H,(H,16,20)(H,17,18)/p-1/t7-,8-,10+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@](CO)(COCC1=CC(=C(C=C1)OC)OC)C#C[C@]2([C@@H]([C@H]([C@H]([C@H](O2)CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N=[N+]=[N-])O
InChI: InChI=1S/C37H64N4O11Si2/c1-33(2,3)50-32(44)39-36(23-43,24-48-22-25-16-17-26(46-10)27(20-25)47-11)18-19-37(45)31(40-41-38)30(52-54(14,15)35(7,8)9)29(28(21-42)49-37)51-53(12,13)34(4,5)6/h16-17,20,28-31,42-43,45H,21-24H2,1-15H3,(H,39,44)/t28-,29+,30+,31-,36+,37+/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3C/C(=C\C5=CC=CC=C5)/C4=O)C)O
InChI: InChI=1S/C26H32O2/c1-25-12-10-20(27)16-19(25)8-9-21-22(25)11-13-26(2)23(21)15-18(24(26)28)14-17-6-4-3-5-7-17/h3-8,14,20-23,27H,9-13,15-16H2,1-2H3/b18-14+/t20-,21+,22-,23+,25-,26-/m0/s1
SMILES: C1C=CC[C@@H]([C@H]1C(=O)NC2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C15H15NO5/c17-13(11-3-1-2-4-12(11)15(20)21)16-10-7-5-9(6-8-10)14(18)19/h1-2,5-8,11-12H,3-4H2,(H,16,17)(H,18,19)(H,20,21)/p-2/t11-,12-/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@H](O2)N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)OC(=O)C6=CC=C(C=C6)C
InChI: InChI=1S/C33H29N5O6/c1-20-8-12-23(13-9-20)32(40)42-17-26-25(44-33(41)24-14-10-21(2)11-15-24)16-27(43-26)38-19-36-28-29(34-18-35-30(28)38)37-31(39)22-6-4-3-5-7-22/h3-15,18-19,25-27H,16-17H2,1-2H3,(H,34,35,37,39)/t25-,26+,27-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2CC3=CC=CC=C3[C@@H]2NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C30H27NO2/c1-33-25-18-16-21(17-19-25)27-20-24-14-8-9-15-26(24)29(27)31-30(32)28(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19,27-29H,20H2,1H3,(H,31,32)/t27-,29-/m0/s1
SMILES: CC(C)(C)[Si]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@](O2)(CC#C)COCC3=CC=CC=C3)O)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)C(C)(C)C
InChI: InChI=1S/C41H56O6Si2/c1-11-27-41(30-43-28-31-21-15-12-16-22-31)37(42)36(35-34(45-41)29-44-49(47-35,39(5,6)7)40(8,9)10)46-48(38(2,3)4,32-23-17-13-18-24-32)33-25-19-14-20-26-33/h1,12-26,34-37,42H,27-30H2,2-10H3/t34-,35-,36+,37-,41-/m1/s1
SMILES: C[C@@H]1C2C([C@@H]3[C@H](O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=C(C=C4)OC)OC
InChI: InChI=1S/C18H18O7/c1-7-12-14(18-10(24-7)6-11(19)25-18)15(20)8-4-5-9(22-2)17(23-3)13(8)16(12)21/h4-5,7,10,12,14,18H,6H2,1-3H3/t7-,10-,12?,14?,18+/m1/s1
SMILES: CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)C
InChI: InChI=1S/C23H32N4O4/c1-5-10-27-16(3)11-18(17(27)4)12-19(13-24)22(29)31-14-21(28)26-23(30)25-20-9-7-6-8-15(20)2/h11-12,15,20H,5-10,14H2,1-4H3,(H2,25,26,28,30)/b19-12+/t15-,20-/m0/s1
SMILES: CCCCN(CC)[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O
InChI: InChI=1S/C15H27N3O3/c1-4-6-7-18(5-2)13-9-11(15(20)21)8-12(16)14(13)17-10(3)19/h9,12-14H,4-8,16H2,1-3H3,(H,17,19)(H,20,21)/t12-,13+,14+/m0/s1
SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C[N@@+]23CC[C@@H](C[C@@H]2[C@H](C4=CC=NC5=CC=CC=C45)OCC#C)[C@H](C3)C=C.[Br-]
InChI: InChI=1S/C38H49N2O2.BrH/c1-10-20-42-35(30-16-18-39-33-15-13-12-14-29(30)33)34-23-28-17-19-40(34,25-27(28)11-2)24-26-21-31(37(3,4)5)36(41-9)32(22-26)38(6,7)8;/h1,11-16,18,21-22,27-28,34-35H,2,17,19-20,23-25H2,3-9H3;1H/q+1;/p-1/t27-,28-,34+,35-,40+;/m0./s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CC[C@@H]4CCCC[C@H]4C3
InChI: InChI=1S/C22H32N2O3S/c1-17-8-10-21(11-9-17)28(26,27)24-13-4-7-20(16-24)22(25)23-14-12-18-5-2-3-6-19(18)15-23/h8-11,18-20H,2-7,12-16H2,1H3/t18-,19-,20-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)OC4=CC5=CC=CC=C5C=C4)C
InChI: InChI=1S/C22H24O7/c1-21(2)26-15-16(27-21)18-20(29-22(3,4)28-18)25-17(15)19(23)24-14-10-9-12-7-5-6-8-13(12)11-14/h5-11,15-18,20H,1-4H3/t15-,16+,17+,18+,20-/m0/s1
SMILES: C1CN(C[C@H]([C@@H]1OC2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)C4CC4
InChI: InChI=1S/C21H22FNO2/c22-17-8-10-18(11-9-17)25-20-12-13-23(21(24)16-6-7-16)14-19(20)15-4-2-1-3-5-15/h1-5,8-11,16,19-20H,6-7,12-14H2/t19-,20+/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@H]([C@@H]1CC[C@H]2OP(=O)(N4CC4)N5CC5)CCC6=CC(=O)CC[C@]36C
InChI: InChI=1S/C23H35N2O3P/c1-22-9-7-17(26)15-16(22)3-4-18-19-5-6-21(23(19,2)10-8-20(18)22)28-29(27,24-11-12-24)25-13-14-25/h15,18-21H,3-14H2,1-2H3/t18-,19-,20+,21+,22-,23+/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)[C@H](C)OC(=O)C)CN4CC[C@@H](C4)O
InChI: InChI=1S/C29H38N2O7/c1-18-26(16-31-13-12-25(34)15-31)37-29(38-27(18)23-8-6-22(17-32)7-9-23)24-10-4-21(5-11-24)14-30-28(35)19(2)36-20(3)33/h4-11,18-19,25-27,29,32,34H,12-17H2,1-3H3,(H,30,35)/t18-,19-,25-,26+,27+,29+/m0/s1
SMILES: C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)[C@@]5(N2C1)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C22H17ClN4O5/c23-13-8-7-11(27(31)32)10-16(13)26-19(28)17-15-6-3-9-25(15)22(18(17)20(26)29)12-4-1-2-5-14(12)24-21(22)30/h1-2,4-5,7-8,10,15,17-18H,3,6,9H2,(H,24,30)/t15-,17+,18-,22-/m0/s1
SMILES: C[C@@H]1[C@H](CCC(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=C(C=C3)N)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)NC)O)O
InChI: InChI=1S/C24H33N5O7/c1-12-16(36-23-21(31)20(30)19(26-3)13(2)35-23)8-9-18(34-12)29-11-10-17(28-24(29)33)27-22(32)14-4-6-15(25)7-5-14/h4-7,10-13,16,18-21,23,26,30-31H,8-9,25H2,1-3H3,(H,27,28,32,33)/t12-,13-,16+,18?,19-,20+,21-,23-/m1/s1
SMILES: CC1=C2C(=O)O[C@H]([C@@]2([C@H](CC1)OC(=O)C)C)C3=COC=C3
InChI: InChI=1S/C16H18O5/c1-9-4-5-12(20-10(2)17)16(3)13(9)15(18)21-14(16)11-6-7-19-8-11/h6-8,12,14H,4-5H2,1-3H3/t12-,14-,16+/m0/s1
SMILES: CC(=NNC(=O)[C@H]1C[C@H]1C2=CC=CC=C2)C3=CC(=CC=C3)NC(=O)C4=CC=CS4
InChI: InChI=1S/C23H21N3O2S/c1-15(25-26-22(27)20-14-19(20)16-7-3-2-4-8-16)17-9-5-10-18(13-17)24-23(28)21-11-6-12-29-21/h2-13,19-20H,14H2,1H3,(H,24,28)(H,26,27)/t19-,20-/m0/s1
SMILES: C/C=C(/C)\C(=O)O[C@@H]1CC(=C)[C@@H]2C(=O)[C@@H]3[C@]([C@@]2([C@@H]4C1C(=C)C(=O)O4)O)(O3)C
InChI: InChI=1S/C20H22O7/c1-6-8(2)17(22)25-11-7-9(3)13-14(21)16-19(5,27-16)20(13,24)15-12(11)10(4)18(23)26-15/h6,11-13,15-16,24H,3-4,7H2,1-2,5H3/b8-6-/t11-,12?,13-,15+,16-,19-,20-/m1/s1
SMILES: CC1=C(C=CC(=C1)F)[C@H]2CN(CC[C@@H]2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4CS(=O)(=O)C4
InChI: InChI=1S/C28H31F7N2O3S/c1-16-9-20(29)5-6-22(16)23-13-37(21-14-41(39,40)15-21)8-7-24(23)36(4)25(38)26(2,3)17-10-18(27(30,31)32)12-19(11-17)28(33,34)35/h5-6,9-12,21,23-24H,7-8,13-15H2,1-4H3/t23-,24+/m1/s1
SMILES: CO[C@@H]1[C@@H]2[C@@H](O2)[C@H](O1)CO[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C11H18O8/c1-15-11-9-8(19-9)5(18-11)3-16-10-7(14)6(13)4(2-12)17-10/h4-14H,2-3H2,1H3/t4-,5-,6-,7+,8+,9+,10+,11+/m1/s1
SMILES: COC(=O)C1=CC=CC2=C1N[C@@H]([C@@H]3[C@@H]2C=CC3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C20H17Cl2NO2/c1-25-20(24)16-7-3-6-14-12-4-2-5-13(12)18(23-19(14)16)15-9-8-11(21)10-17(15)22/h2-4,6-10,12-13,18,23H,5H2,1H3/t12-,13-,18-/m0/s1
SMILES: C[C@@H]1C[C@@H]2C(=O)[C@H](C[C@H]1N2C)CC3=CC=CC=C3
InChI: InChI=1S/C16H21NO/c1-11-8-15-16(18)13(10-14(11)17(15)2)9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11-,13+,14-,15-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)S(=O)(=O)C2=CC=CC=N2)OC(=O)C
InChI: InChI=1S/C25H32N2O14S/c1-13(28)27-21-18(38-15(3)30)11-25(24(33)36-6,42(34,35)20-9-7-8-10-26-20)41-23(21)22(40-17(5)32)19(39-16(4)31)12-37-14(2)29/h7-10,18-19,21-23H,11-12H2,1-6H3,(H,27,28)/t18-,19+,21+,22+,23+,25-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CC/C=C(\C)/C=C/CCCCCCC)O)O
InChI: InChI=1S/C49H91NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-32-37-43(53)48(57)50-41(39-58-49-47(56)46(55)45(54)44(38-51)59-49)42(52)36-33-29-31-35-40(3)34-30-27-25-11-9-7-5-2/h30,33-36,41-47,49,51-56H,4-29,31-32,37-39H2,1-3H3,(H,50,57)/b34-30+,36-33+,40-35+/t41-,42+,43+,44+,45+,46-,47+,49+/m0/s1
SMILES: CC(=C[C@@H](C1=C[C@H]([C@]2([C@@H](C1=O)O2)O)O)O)C
InChI: InChI=1S/C11H14O5/c1-5(2)3-7(12)6-4-8(13)11(15)10(16-11)9(6)14/h3-4,7-8,10,12-13,15H,1-2H3/t7-,8+,10+,11-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)O[C@@H](C)C(=O)C3=CC4=C(CCC4)C=C3
InChI: InChI=1S/C23H28N2O5/c1-14-6-3-4-11-23(14)21(28)25(22(29)24-23)13-19(26)30-15(2)20(27)18-10-9-16-7-5-8-17(16)12-18/h9-10,12,14-15H,3-8,11,13H2,1-2H3,(H,24,29)/t14-,15-,23+/m0/s1
SMILES: COC1=CC=C(C=C1)COCC(=O)C[C@H]2[C@H](CCCN2C3=CC=CC=C3OC)OCC4=CC=CC=C4
InChI: InChI=1S/C30H35NO5/c1-33-26-16-14-24(15-17-26)20-35-22-25(32)19-28-30(36-21-23-9-4-3-5-10-23)13-8-18-31(28)27-11-6-7-12-29(27)34-2/h3-7,9-12,14-17,28,30H,8,13,18-22H2,1-2H3/t28-,30-/m0/s1
SMILES: C[C@]12CCC[C@](C1CCC(=C)[C@@H]2CCC(=C)C=C)(C)C(=O)OC
InChI: InChI=1S/C21H32O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h7,17-18H,1-3,8-14H2,4-6H3/t17-,18?,20+,21-/m0/s1
SMILES: COC(=O)[C@H]1[C@@H](C(=C(NC1=O)SCC(=O)NC2=CC(=CC=C2)F)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C22H17ClFN3O4S/c1-31-22(30)19-18(14-7-2-3-8-16(14)23)15(10-25)21(27-20(19)29)32-11-17(28)26-13-6-4-5-12(24)9-13/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)/t18-,19+/m1/s1
SMILES: CC1=C(C(=C(C(=C1C)C)COCCCC2=CC[C@@H]3[C@@H](O2)[C@@H]([C@@]4([C@@H](O3)CC=C(O4)CCC5OCCO5)C)OCC6=CC=CC=C6)C)C
InChI: InChI=1S/C39H52O7/c1-25-26(2)28(4)33(29(5)27(25)3)24-40-20-10-13-31-14-17-34-37(44-31)38(43-23-30-11-8-7-9-12-30)39(6)35(45-34)18-15-32(46-39)16-19-36-41-21-22-42-36/h7-9,11-12,14-15,34-38H,10,13,16-24H2,1-6H3/t34-,35+,37-,38+,39+/m1/s1
SMILES: CCCC[C@H]1[C@@H]2CC[C@@H](O2)C[C@@H]1S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C17H24O3S/c1-2-3-9-15-16-11-10-13(20-16)12-17(15)21(18,19)14-7-5-4-6-8-14/h4-8,13,15-17H,2-3,9-12H2,1H3/t13-,15+,16+,17+/m1/s1
SMILES: CC(=O)NC[C@H]1[C@H](NC2=CC=CC=C2[C@@H]1NC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H25N3O/c1-17(28)25-16-21-23(18-10-4-2-5-11-18)27-22-15-9-8-14-20(22)24(21)26-19-12-6-3-7-13-19/h2-15,21,23-24,26-27H,16H2,1H3,(H,25,28)/t21-,23+,24-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C20H26N2O5/c1-13-5-4-6-18(14(13)2)21-20(24)15(3)27-19(23)12-9-16-7-10-17(11-8-16)22(25)26/h7-15,18H,4-6H2,1-3H3,(H,21,24)/b12-9+/t13-,14-,15-,18+/m1/s1
SMILES: CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2S[C@H]4CS(=O)(=O)C[C@@H]4O
InChI: InChI=1S/C20H20N2O4S2/c1-12-7-8-13(2)16(9-12)22-19(24)14-5-3-4-6-15(14)21-20(22)27-18-11-28(25,26)10-17(18)23/h3-9,17-18,23H,10-11H2,1-2H3/t17-,18-/m0/s1
SMILES: CN(C(=S)NCC1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C18H25N3OS/c1-21(18(23)19-12-13-5-3-2-4-6-13)20-17(22)11-16-10-14-7-8-15(16)9-14/h2-6,14-16H,7-12H2,1H3,(H,19,23)(H,20,22)/t14-,15+,16-/m0/s1
SMILES: CC(=O)N1CC=C2[C@@H](C1)[C@H](C(=C(C2(C#N)C#N)N)C#N)C3=CC(=CC=C3)Br
InChI: InChI=1S/C20H16BrN5O/c1-12(27)26-6-5-17-16(9-26)18(13-3-2-4-14(21)7-13)15(8-22)19(25)20(17,10-23)11-24/h2-5,7,16,18H,6,9,25H2,1H3/t16-,18+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]3[C@H]([C@@H](O2)N4N=CC(=N4)C(=O)N)OC(O3)OC
InChI: InChI=1S/C17H20N4O8S/c1-9-3-5-10(6-4-9)30(23,24)26-8-12-13-14(29-17(25-2)28-13)16(27-12)21-19-7-11(20-21)15(18)22/h3-7,12-14,16-17H,8H2,1-2H3,(H2,18,22)/t12-,13-,14-,16-,17?/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@@]23[C@H](C4(CCCC4)C(=O)O2)OC(=O)C35CCCC5
InChI: InChI=1S/C24H30O4/c1-21(2,3)16-8-10-17(11-9-16)24-18(22(19(25)28-24)12-4-5-13-22)27-20(26)23(24)14-6-7-15-23/h8-11,18H,4-7,12-15H2,1-3H3/t18-,24-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)OC(=O)C2CC2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C15H27NO4Si/c1-9(20-21(5,6)15(2,3)4)11-12(17)16-13(11)19-14(18)10-7-8-10/h9-11,13H,7-8H2,1-6H3,(H,16,17)/t9-,11+,13-/m1/s1
SMILES: CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)C4=CC=CC=[N+]4[O-]
InChI: InChI=1S/C27H33F3N4O4/c1-2-38-24-17-33(21-11-9-18(10-12-21)23-8-3-4-13-34(23)37)16-22(24)32-25(35)15-31-26(36)19-6-5-7-20(14-19)27(28,29)30/h3-8,13-14,18,21-22,24H,2,9-12,15-17H2,1H3,(H,31,36)(H,32,35)/t18?,21?,22-,24-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCS[C@@H](C2)C(=O)OC
InChI: InChI=1S/C15H26N2O3S/c1-11-5-3-4-6-12(11)16-14(18)10-17-7-8-21-13(9-17)15(19)20-2/h11-13H,3-10H2,1-2H3,(H,16,18)/p+1/t11-,12-,13-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC(=CC=C4)O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9
InChI: InChI=1S/C45H33ClN2O6/c46-30-14-8-15-32(24-30)48-42(52)37-25-36-34(39(28-11-7-16-33(49)23-28)45(37,44(48)54)29-12-5-2-6-13-29)21-22-35-38(36)43(53)47(41(35)51)31-19-17-27(18-20-31)40(50)26-9-3-1-4-10-26/h1-21,23-24,35-39,49H,22,25H2/t35-,36+,37-,38-,39-,45+/m0/s1
SMILES: C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CCC(=O)C4(C)C)C)C)C(C)(C(=O)/C=C/C(C)(C)O)O)O
InChI: InChI=1S/C30H44O6/c1-25(2,35)14-13-22(33)30(8,36)24-19(31)15-27(5)20-11-9-17-18(10-12-21(32)26(17,3)4)29(20,7)23(34)16-28(24,27)6/h9,13-14,18-20,24,31,35-36H,10-12,15-16H2,1-8H3/b14-13+/t18-,19-,20+,24+,27+,28-,29+,30?/m1/s1
SMILES: C1CN(C[C@@H]([C@@H]1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)O)CC4=CC=C(C=C4)F
InChI: InChI=1S/C27H30FNO2/c28-25-13-11-21(12-14-25)19-29-17-15-22(26(30)20-29)16-18-31-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,22,26-27,30H,15-20H2/t22-,26-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C
InChI: InChI=1S/C23H24N2O3/c1-14-7-12-18-19(13-14)23(28)25(22(18)27)17-10-8-16(9-11-17)21(26)24-20-6-4-3-5-15(20)2/h3-6,8-11,14,18-19H,7,12-13H2,1-2H3,(H,24,26)/t14-,18+,19-/m1/s1
SMILES: COC1=CC(=CC(=C1[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)C6=CC(=C(C=C6)C(=O)O)O)OC)O
InChI: InChI=1S/C30H25BrCl2N2O10/c1-44-19-8-13(36)9-20(45-2)22(19)23-14-5-6-16-21(17(14)10-29(32)27(42)34(11-31)28(43)30(23,29)33)25(39)35(24(16)38)12-3-4-15(26(40)41)18(37)7-12/h3-5,7-9,16-17,21,23,36-37H,6,10-11H2,1-2H3,(H,40,41)/t16-,17+,21-,23+,29+,30-/m0/s1
SMILES: C[C@@]12CCC[C@]([C@H]1CCC(=C)[C@@H]2CCC3=C(OC=C3)COC(=O)C4=CC=C(C=C4)Cl)(C)C(=O)OC
InChI: InChI=1S/C29H35ClO5/c1-19-6-13-25-28(2,15-5-16-29(25,3)27(32)33-4)23(19)12-9-20-14-17-34-24(20)18-35-26(31)21-7-10-22(30)11-8-21/h7-8,10-11,14,17,23,25H,1,5-6,9,12-13,15-16,18H2,2-4H3/t23-,25-,28-,29-/m0/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OP(=O)(C3=CC=CC=C3)O)C(=O)NCCCCCC(=O)OC
InChI: InChI=1S/C22H33N2O6P/c1-24-16-12-13-18(24)21(22(26)23-14-8-4-7-11-20(25)29-2)19(15-16)30-31(27,28)17-9-5-3-6-10-17/h3,5-6,9-10,16,18-19,21H,4,7-8,11-15H2,1-2H3,(H,23,26)(H,27,28)/t16-,18+,19-,21+/m0/s1
SMILES: C/C(=C\OC)/C(=O)NC(=O)N[C@H]1C[C@@H]([C@]2([C@@H]1C2)COCC3=CC=CC=C3)O
InChI: InChI=1S/C20H26N2O5/c1-13(10-26-2)18(24)22-19(25)21-16-8-17(23)20(9-15(16)20)12-27-11-14-6-4-3-5-7-14/h3-7,10,15-17,23H,8-9,11-12H2,1-2H3,(H2,21,22,24,25)/b13-10+/t15-,16+,17+,20+/m1/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)O
InChI: InChI=1S/C15H15ClF3NO3/c16-11-6-5-8(15(17,18)19)7-12(11)20-13(21)9-3-1-2-4-10(9)14(22)23/h5-7,9-10H,1-4H2,(H,20,21)(H,22,23)/t9-,10+/m0/s1
SMILES: C[NH+]1CC=C2[C@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C19H15Cl2N5/c1-26-5-4-12-13(7-22)18(25)19(9-23,10-24)17(14(12)8-26)11-2-3-15(20)16(21)6-11/h2-4,6,13-14,17,25H,5,8H2,1H3/p+1/t13?,14-,17+/m0/s1
SMILES: CC(=O)N1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)CCC3=CC=CC=C3
InChI: InChI=1S/C22H21N5O/c1-15(28)27-10-9-17-18(11-23)21(26)22(13-24,14-25)20(19(17)12-27)8-7-16-5-3-2-4-6-16/h2-6,9,18-20,26H,7-8,10,12H2,1H3/t18?,19-,20-/m0/s1
SMILES: CC(=O)/C=C/[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)O
InChI: InChI=1S/C11H16O5/c1-6(12)4-5-7-8(13)9-10(14-7)16-11(2,3)15-9/h4-5,7-10,13H,1-3H3/b5-4+/t7-,8+,9-,10-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2C(=O)N(C)N)CCC4[C@@]3(CC=CC4)C
InChI: InChI=1S/C21H32N2O/c1-20-12-5-4-6-14(20)7-8-15-16-9-10-18(19(24)23(3)22)21(16,2)13-11-17(15)20/h4-5,10,14-17H,6-9,11-13,22H2,1-3H3/t14?,15-,16-,17-,20-,21-/m0/s1
SMILES: C1[C@@H]([C@H]2[C@]13N(C4=CC=CC=C4S3)C(=O)C5=CC=CC=C25)C#N
InChI: InChI=1S/C18H12N2OS/c19-10-11-9-18-16(11)12-5-1-2-6-13(12)17(21)20(18)14-7-3-4-8-15(14)22-18/h1-8,11,16H,9H2/t11-,16-,18+/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C18H23NO4/c1-22-16-6-4-15(5-7-16)19-17(20)11-23-18(21)10-14-9-12-2-3-13(14)8-12/h4-7,12-14H,2-3,8-11H2,1H3,(H,19,20)/t12-,13+,14+/m0/s1
SMILES: CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC=C(C=C3)Cl)O)C
InChI: InChI=1S/C20H18ClN5O2/c1-20(2)18(27)17(15-9-12(10-22)3-8-16(15)28-20)26-19(24-11-23)25-14-6-4-13(21)5-7-14/h3-9,17-18,27H,1-2H3,(H2,24,25,26)/t17-,18+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C3=CC=C(C=C3)Br)OC(=O)C4=CC=C(C=C4)Br)OC(=O)C)OC(=O)C)C(C)C
InChI: InChI=1S/C34H40Br2O10/c1-18(2)26-15-6-19(3)16-27(26)44-34-31(43-21(5)38)30(42-20(4)37)29(46-33(40)23-9-13-25(36)14-10-23)28(45-34)17-41-32(39)22-7-11-24(35)12-8-22/h7-14,18-19,26-31,34H,6,15-17H2,1-5H3/t19-,26+,27-,28-,29+,30+,31-,34-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=C3C4=C(C[C@H]([C@]([C@@H]4N)(C)C=C)O)C(C5=C3C2=CC=C5)(C)C
InChI: InChI=1S/C27H30N2O3S/c1-6-27(5)22(30)14-20-24(25(27)28)18-15-29(33(31,32)17-12-10-16(2)11-13-17)21-9-7-8-19(23(18)21)26(20,3)4/h6-13,15,22,25,30H,1,14,28H2,2-5H3/t22-,25-,27+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CN4
InChI: InChI=1S/C22H25N3O2S/c1-14-7-5-11-19(15(14)2)25-21(27)16-8-3-4-9-17(16)24-22(25)28-13-20(26)18-10-6-12-23-18/h3-4,6,8-10,12,14-15,19,23H,5,7,11,13H2,1-2H3/t14-,15+,19+/m0/s1
SMILES: CC(C)(C)OC(=O)[C@H]1[C@H](O1)C2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C14H15F3O3/c1-13(2,3)20-12(18)11-10(19-11)8-4-6-9(7-5-8)14(15,16)17/h4-7,10-11H,1-3H3/t10-,11-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CCNC(=O)C2=CC=CC=C2Cl
InChI: InChI=1S/C18H25ClN2O2/c1-12-6-5-9-16(13(12)2)21-17(22)10-11-20-18(23)14-7-3-4-8-15(14)19/h3-4,7-8,12-13,16H,5-6,9-11H2,1-2H3,(H,20,23)(H,21,22)/t12-,13+,16+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@H]2[C@]1(CCCC2)O)OC(=O)C(F)(F)F
InChI: InChI=1S/C13H19F3O3/c1-8-5-6-10(19-11(17)13(14,15)16)9-4-2-3-7-12(8,9)18/h8-10,18H,2-7H2,1H3/t8-,9+,10-,12-/m1/s1
SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)O[C@H]([C@H](S3)C4=CC(=CC=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)I
InChI: InChI=1S/C34H27IO3S/c35-28-16-14-26(15-17-28)33-34(27-12-7-13-29(20-27)36-22-24-8-3-1-4-9-24)39-32-21-30(18-19-31(32)38-33)37-23-25-10-5-2-6-11-25/h1-21,33-34H,22-23H2/t33-,34+/m0/s1