EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@H]([C@H](CC1=O)N2[C@H]([C@H](OC2=O)C3=CC=CC=C3)C4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C28H27NO4/c30-24-16-23(19-32-18-20-10-4-1-5-11-20)25(17-24)29-26(21-12-6-2-7-13-21)27(33-28(29)31)22-14-8-3-9-15-22/h1-15,23,25-27H,16-19H2/t23-,25-,26-,27+/m0/s1
SMILES: CCCN1C(=CC(=C1C)C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C22H28N2O5/c1-5-10-23-13(2)11-18(14(23)3)19(25)12-29-22(28)15(4)24-20(26)16-8-6-7-9-17(16)21(24)27/h6-7,11,15-17H,5,8-10,12H2,1-4H3/t15-,16-,17-/m0/s1
SMILES: CCCCCCCCCCOC1=C(C(=C(C(=C1)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C
InChI: InChI=1S/C33H50O11/c1-9-10-11-12-13-14-15-16-17-38-27-18-20(2)29(22(4)21(27)3)44-33-32(42-26(8)37)31(41-25(7)36)30(40-24(6)35)28(43-33)19-39-23(5)34/h18,28,30-33H,9-17,19H2,1-8H3/t28-,30-,31+,32-,33+/m1/s1
SMILES: CC(=O)N1[C@@H]([C@H](C(=N1)C2=CC=C(C=C2)OC)OC(=O)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C21H22N2O5/c1-13(24)23-20(16-7-11-18(27-4)12-8-16)21(28-14(2)25)19(22-23)15-5-9-17(26-3)10-6-15/h5-12,20-21H,1-4H3/t20-,21+/m1/s1
SMILES: CCCN1C[C@@]2(CC[C@@H]3[C@@]2(CCC=C(CC[C@@H](CC4=CC(=C3C=C4)C(=O)CC5=C(C=CC=C5Cl)F)O)C)C)OC1=O
InChI: InChI=1S/C34H41ClFNO4/c1-4-17-37-21-34(41-32(37)40)16-14-28-25-13-11-23(18-24(38)12-10-22(2)7-6-15-33(28,34)3)19-26(25)31(39)20-27-29(35)8-5-9-30(27)36/h5,7-9,11,13,19,24,28,38H,4,6,10,12,14-18,20-21H2,1-3H3/t24-,28-,33-,34+/m0/s1
SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)CCC(=O)OC)O
InChI: InChI=1S/C31H35NO13/c1-4-31(42)11-16(45-19-10-14(25(36)12(2)44-19)32-17(34)8-9-18(35)43-3)21-24(30(31)41)29(40)22-23(28(21)39)27(38)20-13(26(22)37)6-5-7-15(20)33/h5-7,12,14,16,19,25,30,33,36,39-42H,4,8-11H2,1-3H3,(H,32,34)/t12-,14-,16-,19-,25+,30+,31+/m0/s1
SMILES: CCCCCCCCNC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C15H30N2O5S/c1-2-3-4-5-6-7-8-16-15(23)17-14-13(21)12(20)11(19)10(9-18)22-14/h10-14,18-21H,2-9H2,1H3,(H2,16,17,23)/t10-,11-,12+,13-,14-/m1/s1
SMILES: CN1C2=CC=CC=C2[C@@H]3CC=C[C@H]([C@@]3(C1=O)[N+](=O)[O-])OC
InChI: InChI=1S/C15H16N2O4/c1-16-12-8-4-3-6-10(12)11-7-5-9-13(21-2)15(11,14(16)18)17(19)20/h3-6,8-9,11,13H,7H2,1-2H3/t11-,13+,15-/m0/s1
SMILES: CC(C)(C)C1=CN(N=N1)C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)N(C)CC=C
InChI: InChI=1S/C19H31N5O/c1-6-8-22(5)18(25)16-12-23-9-7-14(16)10-15(23)11-24-13-17(20-21-24)19(2,3)4/h6,13-16H,1,7-12H2,2-5H3/t14-,15+,16-/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)COC(=O)C
InChI: InChI=1S/C32H52O3/c1-20(2)22-11-16-32(19-35-21(3)33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(34)28(4,5)24(29)12-15-31(25,30)8/h22-27,34H,1,9-19H2,2-8H3/t22-,23+,24-,25+,26-,27+,29-,30+,31+,32+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C(=O)O
InChI: InChI=1S/C40H56O6/c1-24(2)26-15-20-40(35(43)44)22-21-38(6)27(34(26)40)11-13-31-37(5)18-17-32(36(3,4)30(37)16-19-39(31,38)7)46-33(42)14-10-25-9-12-28(41)29(23-25)45-8/h9-10,12,14,23,26-27,30-32,34,41H,1,11,13,15-22H2,2-8H3,(H,43,44)/b14-10+/t26-,27?,30?,31?,32-,34?,37-,38+,39+,40-/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(=C(C(=C6)OC)O)OC)C(=O)N(C5=O)C7=CC(=C(C=C7)C(=O)O)O)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C42H35Cl2N3O11/c1-56-23-8-4-20(5-9-23)42-28(38(51)47(41(42)55)45-30-13-6-21(43)16-29(30)44)18-27-24(35(42)19-14-32(57-2)36(49)33(15-19)58-3)11-12-26-34(27)39(52)46(37(26)50)22-7-10-25(40(53)54)31(48)17-22/h4-11,13-17,26-28,34-35,45,48-49H,12,18H2,1-3H3,(H,53,54)/t26-,27+,28-,34-,35-,42+/m0/s1
SMILES: C1C[C@H](C2=CC=CC=C2C1)NC(=O)[C@H]3[C@H]4CC[C@@H]([C@@H]3C(=O)O)O4
InChI: InChI=1S/C18H21NO4/c20-17(15-13-8-9-14(23-13)16(15)18(21)22)19-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12-16H,3,5,7-9H2,(H,19,20)(H,21,22)/t12-,13-,14+,15+,16+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@]([C@H]([C@@H](O1)OC(=N)C(Cl)(Cl)Cl)OC)(OC(=O)N2[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C17H29Cl3N2O5Si/c1-9-10-16(5,27-14(23)22(10)28(7,8)15(2,3)4)11(24-6)12(25-9)26-13(21)17(18,19)20/h9-12,21H,1-8H3/t9-,10+,11-,12-,16+/m0/s1
SMILES: CCCCCCC1=C(SC=C1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C19H26N2O5S/c1-2-3-4-5-6-12-7-8-27-17(12)13-10-21(19(25)20-18(13)24)16-9-14(23)15(11-22)26-16/h7-8,10,14-16,22-23H,2-6,9,11H2,1H3,(H,20,24,25)/t14-,15+,16+/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C18H32O16/c19-1-5(23)9(24)16(34-18-15(30)13(28)11(26)7(3-21)32-18)8(4-22)33-17-14(29)12(27)10(25)6(2-20)31-17/h4-21,23-30H,1-3H2/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14+,15+,16-,17-,18-/m1/s1
SMILES: C1COCCOC2=CC=CC=C2OCCOCCOCCOC3=C4C(=CC=C3)O[C@@H]([C@H](OC5=CC=CC(=C54)OCCO1)COCC6=CC=CC=C6)COCC7=CC=CC=C7
InChI: InChI=1S/C48H54O12/c1-3-11-37(12-4-1)33-53-35-45-46(36-54-34-38-13-5-2-6-14-38)60-44-20-10-18-42-48(44)47-41(17-9-19-43(47)59-45)57-31-27-51-23-21-49-25-29-55-39-15-7-8-16-40(39)56-30-26-50-22-24-52-28-32-58-42/h1-20,45-46H,21-36H2/t45-,46-/m1/s1
SMILES: C[N@@+]12CCCC[C@@H]1[C@@H](CCC2)COC(=O)C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C20H30NO4/c1-21-11-5-4-8-18(21)15(7-6-12-21)14-25-20(22)17-10-9-16(23-2)13-19(17)24-3/h9-10,13,15,18H,4-8,11-12,14H2,1-3H3/q+1/t15-,18+,21-/m0/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@@H]4[C@]1([C@H](C(=O)O2)N(O4)CC5=CC(=CC=C5)C=CCO[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)C(=O)NCCC(=O)NCCO)OCO3
InChI: InChI=1S/C31H41N3O14/c35-9-8-32-20(37)6-7-33-30(42)31-12-18-24-25(45-15-44-24)27(31)48-34(26(31)28(41)46-18)13-17-4-1-3-16(11-17)5-2-10-43-29-23(40)22(39)21(38)19(14-36)47-29/h1-5,11,18-19,21-27,29,35-36,38-40H,6-10,12-15H2,(H,32,37)(H,33,42)/t18-,19-,21+,22+,23-,24+,25+,26+,27-,29+,31+/m1/s1
SMILES: CC(=O)O[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6[C@@H]3[C@@H]7[C@H]1[C@]8([C@H]9[C@@H]7[C@@]6([C@]1([C@@H]5[C@H]3[C@@H]4[C@@]2([C@@H]8[C@@H]3[C@@H]91)Br)Br)O)Br
InChI: InChI=1S/C22H19Br3O3/c1-2(26)28-22-12-4-3-9-5-7-13-15-14-8(6(12)11(3)21(14,27)19(9,13)24)17(22)18(15,23)16(7)20(22,25)10(4)5/h3-17,27H,1H3/t3-,4+,5-,6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18+,19+,20-,21-,22+/m0/s1
SMILES: C/C/1=C\[C@H]([C@H](C(=C)[C@H]2[C@H](CC1)C(=CO[C@H]2OC(=O)C)[C@@H]([C@@H](C=C(C)C)OC(=O)C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C40H44O11/c1-23(2)20-33(47-26(5)41)37(48-27(6)42)32-22-46-40(49-28(7)43)35-25(4)36(51-39(45)30-16-12-9-13-17-30)34(21-24(3)18-19-31(32)35)50-38(44)29-14-10-8-11-15-29/h8-17,20-22,31,33-37,40H,4,18-19H2,1-3,5-7H3/b24-21+/t31-,33-,34-,35+,36+,37+,40+/m1/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CCN(CC4)C(=O)C5=CC=CO5
InChI: InChI=1S/C24H32N2O4/c1-16-5-3-7-24(2)14-21-17(13-19(16)24)18(23(28)30-21)15-25-8-10-26(11-9-25)22(27)20-6-4-12-29-20/h4,6,12,17-19,21H,1,3,5,7-11,13-15H2,2H3/p+1/t17-,18+,19-,21-,24-/m1/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)NC2=C(C=CC(=C2)C(C)(C)C)OC
InChI: InChI=1S/C18H25NO4/c1-11-8-13(11)17(21)23-10-16(20)19-14-9-12(18(2,3)4)6-7-15(14)22-5/h6-7,9,11,13H,8,10H2,1-5H3,(H,19,20)/t11-,13+/m0/s1
SMILES: CC(=O)O[C@H](C1=CC=CC=C1)C(=O)O[C@H]2C=COC=C3[C@@H]2N4C(=O)[C@]56CC7=CC=C[C@@H]([C@H]7N5C(=O)[C@@]4(C3)SSSS6)OC(=O)CC8=CC=CC=C8
InChI: InChI=1S/C36H30N2O9S4/c1-21(39)45-31(23-11-6-3-7-12-23)32(41)47-27-15-16-44-20-25-19-36-34(43)37-29-24(18-35(37,48-50-51-49-36)33(42)38(36)30(25)27)13-8-14-26(29)46-28(40)17-22-9-4-2-5-10-22/h2-16,20,26-27,29-31H,17-19H2,1H3/t26-,27-,29-,30-,31+,35+,36+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@H](C)OC2=CC=CC(=C2)N3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C24H25NO4/c1-15-10-12-17(13-11-15)22(26)16(2)29-19-7-5-6-18(14-19)25-23(27)20-8-3-4-9-21(20)24(25)28/h5-7,10-14,16,20-21H,3-4,8-9H2,1-2H3/t16-,20+,21+/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(=C7O)C)C(=O)N(C5=O)C8=CC=CC(=C8)C(=O)O
InChI: InChI=1S/C41H35N3O7/c1-22-14-16-26(17-15-22)42-44-37(47)32-21-31-28(18-19-29-33(31)38(48)43(36(29)46)27-12-7-9-24(20-27)39(49)50)34(30-13-6-8-23(2)35(30)45)41(32,40(44)51)25-10-4-3-5-11-25/h3-18,20,29,31-34,42,45H,19,21H2,1-2H3,(H,49,50)/t29-,31+,32-,33-,34+,41+/m0/s1
SMILES: CC1=CC[C@@]2(C[C@H]1[C@@H](OC2)C3=C(C=C(C=C3)O)Cl)CO
InChI: InChI=1S/C16H19ClO3/c1-10-4-5-16(8-18)7-13(10)15(20-9-16)12-3-2-11(19)6-14(12)17/h2-4,6,13,15,18-19H,5,7-9H2,1H3/t13-,15+,16-/m1/s1
SMILES: CC1=CC2=NC(=CN2C=C1)CCNC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-]
InChI: InChI=1S/C18H21N3O3/c1-12-7-9-21-11-13(20-16(21)10-12)6-8-19-17(22)14-4-2-3-5-15(14)18(23)24/h2-3,7,9-11,14-15H,4-6,8H2,1H3,(H,19,22)(H,23,24)/p-1/t14-,15+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](N(C2(C)C)CC3=CC=CC=C3)C4=CC=CC=C4[C@H](CC=C)O
InChI: InChI=1S/C28H37NO2/c1-5-11-25(30)22-14-9-10-15-23(22)27-29(19-21-12-7-6-8-13-21)28(3,4)24-17-16-20(2)18-26(24)31-27/h5-10,12-15,20,24-27,30H,1,11,16-19H2,2-4H3/t20-,24-,25+,26-,27+/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@@H](C4=C3C=CC(=C4)O)CCCCCN(C)CCCSCCCC(C(F)(F)F)(F)F)F
InChI: InChI=1S/C32H47F6NO2S/c1-30-20-27(33)29-23-10-9-22(40)19-24(23)21(18-25(29)26(30)11-12-28(30)41)8-4-3-5-14-39(2)15-7-17-42-16-6-13-31(34,35)32(36,37)38/h9-10,19,21,25-29,40-41H,3-8,11-18,20H2,1-2H3/t21-,25-,26-,27-,28-,29+,30-/m0/s1
SMILES: C[S+](CCC(C(=O)[O-])N)CC1=C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C(N=CN=C32)N
InChI: InChI=1S/C16H22N6O4S/c1-27(3-2-9(17)16(25)26)5-8-4-10(13(24)12(8)23)22-7-21-11-14(18)19-6-20-15(11)22/h4,6-7,9-10,12-13,23-24H,2-3,5,17H2,1H3,(H2-,18,19,20,25,26)/t9?,10-,12-,13+,27?/m1/s1
SMILES: CCCN1C(=O)[C@@H]2[C@@H](NN([C@@H]2C1=O)CC3=CC=CC=C3)C4=CC=C(C=C4)O
InChI: InChI=1S/C21H23N3O3/c1-2-12-23-20(26)17-18(15-8-10-16(25)11-9-15)22-24(19(17)21(23)27)13-14-6-4-3-5-7-14/h3-11,17-19,22,25H,2,12-13H2,1H3/t17-,18+,19+/m1/s1
SMILES: CCC(=O)OC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)C=C1
InChI: InChI=1S/C23H27NO5/c1-2-18(26)28-16-6-5-14-11-17-23(27)8-7-15(25)21-22(23,19(14)20(16)29-21)9-10-24(17)12-13-3-4-13/h5-6,13,17,21,27H,2-4,7-12H2,1H3/t17-,21+,22+,23-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2C[C@@H]3[C@]4([C@@H](C[C@H](O3)OC)[C@]([C@@H]([C@H]([C@@H]4[C@]2(C1=O)C)OC(=O)C5=CC6=C(C=C5)OCO6)OC(=O)C)(C)O)C
InChI: InChI=1S/C32H40O12/c1-15(33)41-20-10-8-18-12-23-31(4)22(13-24(38-6)43-23)32(5,37)28(42-16(2)34)25(26(31)30(18,3)27(20)35)44-29(36)17-7-9-19-21(11-17)40-14-39-19/h7,9,11,18,20,22-26,28,37H,8,10,12-14H2,1-6H3/t18-,20+,22-,23-,24+,25+,26-,28-,30+,31-,32+/m1/s1
SMILES: C1CCC(C1)SC2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6
InChI: InChI=1S/C25H27N5O5S/c31-25(26-16-10-12-18(13-11-16)34-17-6-2-1-3-7-17)35-21-15-33-22-20(14-32-23(21)22)30-24(27-28-29-30)36-19-8-4-5-9-19/h1-3,6-7,10-13,19-23H,4-5,8-9,14-15H2,(H,26,31)/t20-,21+,22+,23+/m0/s1
SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O[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)NC(=O)C)N=[N+]=[N-])OC(=O)C
InChI: InChI=1S/C46H72N4O19/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-36(62-30(5)54)35(49-50-47)24-61-45-39(48-27(2)51)42(64-32(7)56)40(37(67-45)25-59-28(3)52)69-46-44(66-34(9)58)43(65-33(8)57)41(63-31(6)55)38(68-46)26-60-29(4)53/h22-23,35-46H,10-21,24-26H2,1-9H3,(H,48,51)/b23-22+/t35-,36+,37+,38+,39+,40+,41-,42+,43-,44+,45+,46-/m0/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CC[NH+]3C[C@@H]4C=C)OP5OCCO5
InChI: InChI=1S/C22H27N2O4P/c1-3-15-14-24-9-7-16(15)12-21(24)22(28-29-26-10-11-27-29)18-6-8-23-20-5-4-17(25-2)13-19(18)20/h3-6,8,13,15-16,21-22H,1,7,9-12,14H2,2H3/p+1/t15-,16-,21+,22-/m0/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br)C(=O)O
InChI: InChI=1S/C17H17BrN2O3S/c18-11-7-5-10(6-8-11)14-9-24-17(19-14)20-15(21)12-3-1-2-4-13(12)16(22)23/h5-9,12-13H,1-4H2,(H,22,23)(H,19,20,21)/t12-,13+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)OC3(O2)C4=CC=CC=C4N(C3=O)CN5CCOCC5
InChI: InChI=1S/C19H24N2O4/c22-18-19(24-16-7-3-4-8-17(16)25-19)14-5-1-2-6-15(14)21(18)13-20-9-11-23-12-10-20/h1-2,5-6,16-17H,3-4,7-13H2/t16-,17+,19?
SMILES: CN(CC1=CC=CC=C1)CC2=CN(N=N2)C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NCC5=CC=CC=C5
InChI: InChI=1S/C27H34N6O/c1-31(16-22-10-6-3-7-11-22)17-24-18-33(30-29-24)19-25-14-23-12-13-32(25)20-26(23)27(34)28-15-21-8-4-2-5-9-21/h2-11,18,23,25-26H,12-17,19-20H2,1H3,(H,28,34)/t23-,25-,26+/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)C4=CC=CC=C4CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CN6CC7(CC6CC(C7)(C)C)C
InChI: InChI=1S/C43H52F3N3O5/c1-27-36(23-48-26-42(4)21-33(48)20-41(2,3)25-42)53-39(54-37(27)30-13-11-28(24-50)12-14-30)31-17-15-29(16-18-31)34-9-6-5-8-32(34)22-47-38(51)35-10-7-19-49(35)40(52)43(44,45)46/h5-6,8-9,11-18,27,33,35-37,39,50H,7,10,19-26H2,1-4H3,(H,47,51)/t27-,33?,35+,36+,37+,39+,42?/m1/s1
SMILES: COC(=O)[C@@H]1C=C[C@@H]2COC(=O)[C@H]2[C@@H]1C(=O)OC
InChI: InChI=1S/C12H14O6/c1-16-10(13)7-4-3-6-5-18-12(15)8(6)9(7)11(14)17-2/h3-4,6-9H,5H2,1-2H3/t6-,7-,8-,9-/m1/s1
SMILES: C1C(=O)N[C@H]([C@H](N1)C2=CC=CC=C2)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.Cl
InChI: InChI=1S/C20H18F6N2O2.ClH/c21-19(22,23)14-6-12(7-15(8-14)20(24,25)26)10-30-11-16-18(27-9-17(29)28-16)13-4-2-1-3-5-13;/h1-8,16,18,27H,9-11H2,(H,28,29);1H/t16-,18+;/m0./s1
SMILES: C/C=C(/C)\C(=O)O[C@@H]1C2=C(C(=O)O[C@]2(C[C@@H]3[C@]1([C@H](C(=O)CC3)C)C)O)C
InChI: InChI=1S/C20H26O6/c1-6-10(2)17(22)25-16-15-11(3)18(23)26-20(15,24)9-13-7-8-14(21)12(4)19(13,16)5/h6,12-13,16,24H,7-9H2,1-5H3/b10-6-/t12-,13+,16+,19+,20-/m0/s1
SMILES: COC1=C(C=C(C=C1)Cl)C2=NN=C(O2)SCC(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C18H20ClN3O3S/c1-24-15-5-4-12(19)8-13(15)17-21-22-18(25-17)26-9-16(23)20-14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14H,2-3,6-7,9H2,1H3,(H,20,23)/t10-,11+,14+/m0/s1
SMILES: CC1=CC(=CC(=C1O)CC2(/C(=N/N(C)C)/CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OCC5=CC=CC=C5)C)C)S(=O)C6=CC=CC=C6)O
InChI: InChI=1S/C41H54N2O4S/c1-28-24-31(44)25-30(37(28)45)26-41(48(46)32-16-12-9-13-17-32)35(42-43(6)7)19-18-34-39(4)22-21-36(47-27-29-14-10-8-11-15-29)38(2,3)33(39)20-23-40(34,41)5/h8-17,24-25,33-34,36,44-45H,18-23,26-27H2,1-7H3/b42-35+/t33-,34+,36-,39-,40+,41?,48?/m0/s1
SMILES: C1=CC=C(C=C1)NN2C(=O)[C@@H]3[C@H](C2=O)C4C=CC3[C@@H]5[C@H]4C(=O)N(C5=O)NC6=CC=CC=C6
InChI: InChI=1S/C24H20N4O4/c29-21-17-15-11-12-16(18(17)22(30)27(21)25-13-7-3-1-4-8-13)20-19(15)23(31)28(24(20)32)26-14-9-5-2-6-10-14/h1-12,15-20,25-26H/t15?,16?,17-,18+,19+,20-
SMILES: CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CC[C@@H]5CCCC[C@H]5C4
InChI: InChI=1S/C25H26N2O3/c1-16-6-2-5-9-22(16)27-24(29)20-11-10-18(14-21(20)25(27)30)23(28)26-13-12-17-7-3-4-8-19(17)15-26/h2,5-6,9-11,14,17,19H,3-4,7-8,12-13,15H2,1H3/t17-,19-/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)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C40H46F5N3O5/c1-21-29(19-48-27-8-6-5-7-23(27)15-18-28(48)37(50)47-40(2,3)4)52-39(53-36(21)24-11-9-22(20-49)10-12-24)25-13-16-26(17-14-25)46-38(51)30-31(41)33(43)35(45)34(44)32(30)42/h9-14,16-17,21,23,27-29,36,39,49H,5-8,15,18-20H2,1-4H3,(H,46,51)(H,47,50)/t21-,23-,27-,28-,29+,36+,39+/m1/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=CC=CC=C2[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCCCCCC8
InChI: InChI=1S/C49H54N4O9/c1-31(2)39(45(56)60-3)50-48(59)52-36-25-15-14-24-35(36)49(47(52)58)38(44(55)51-27-17-5-4-6-18-28-51)41-46(57)62-42(33-21-11-8-12-22-33)40(32-19-9-7-10-20-32)53(41)43(49)34-23-13-16-26-37(34)61-30-29-54/h7-16,19-26,31,38-43,54H,4-6,17-18,27-30H2,1-3H3,(H,50,59)/t38-,39+,40-,41-,42+,43+,49-/m1/s1
SMILES: C[C@@H]1CC[C@H]2C(=C(O[C@H]3[C@@]24C1CC[C@@](O3)(OO4)C)C(F)(F)F)CNC5=CC=CC=C5
InChI: InChI=1S/C22H26F3NO4/c1-13-8-9-17-15(12-26-14-6-4-3-5-7-14)18(22(23,24)25)27-19-21(17)16(13)10-11-20(2,28-19)29-30-21/h3-7,13,16-17,19,26H,8-12H2,1-2H3/t13-,16?,17+,19-,20+,21-/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)CCCCCCCN2C(=O)C(=C(N(C2=O)COCCO)SC3=CC=CC=C3)C)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI: InChI=1S/C31H42N4O9S/c1-21-18-34(26-17-24(38)25(19-37)44-26)30(41)32(27(21)39)13-9-4-3-5-10-14-33-28(40)22(2)29(45-23-11-7-6-8-12-23)35(31(33)42)20-43-16-15-36/h6-8,11-12,18,24-26,36-38H,3-5,9-10,13-17,19-20H2,1-2H3/t24-,25+,26+/m0/s1
SMILES: CC(=CCC[C@@H]1[C@@H]2[C@H](C[C@]3([C@]2(CC[C@H]4C3=C[C@H]([C@@H]5[C@@]4(CCC(=O)C5(C)C)C)O)C)C)OC1=O)C
InChI: InChI=1S/C30H44O4/c1-17(2)9-8-10-18-24-22(34-26(18)33)16-30(7)20-15-21(31)25-27(3,4)23(32)12-13-28(25,5)19(20)11-14-29(24,30)6/h9,15,18-19,21-22,24-25,31H,8,10-14,16H2,1-7H3/t18-,19+,21-,22+,24-,25+,28-,29+,30-/m1/s1
SMILES: CC1=CC2[C@@]3(COC(=O)O[C@@H]3C1=O)C4C[C@H](C([C@]45CO5)O2)OC(=O)C
InChI: InChI=1S/C17H18O8/c1-7-3-11-16(5-21-15(20)25-14(16)12(7)19)10-4-9(23-8(2)18)13(24-11)17(10)6-22-17/h3,9-11,13-14H,4-6H2,1-2H3/t9-,10?,11?,13?,14-,16-,17+/m1/s1
SMILES: CCOC(=O)[C@H](C)OC1=C(C=C(C=C1Br)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OC)OC
InChI: InChI=1S/C19H23BrN2O6S/c1-6-27-17(23)10(3)28-16-12(20)7-11(8-13(16)25-4)15-14(18(24)26-5)9(2)21-19(29)22-15/h7-8,10,14-15H,2,6H2,1,3-5H3,(H2,21,22,29)/t10-,14-,15+/m0/s1
SMILES: C[C@@H](CCC=C(C)C)C1=C2CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC[C@]3([C@@]2(CC1)C)C)(C)C)O)C
InChI: InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,21,24-26,31H,9,11-19H2,1-8H3/t21-,24-,25+,26-,28-,29+,30+/m0/s1
SMILES: C(CCCCCCNC(=O)[C@H]([C@@H]1[C@@H]([C@H](C(=O)O1)O)O)O)CCCCCN
InChI: InChI=1S/C18H34N2O6/c19-11-9-7-5-3-1-2-4-6-8-10-12-20-17(24)15(23)16-13(21)14(22)18(25)26-16/h13-16,21-23H,1-12,19H2,(H,20,24)/t13-,14-,15+,16+/m1/s1
SMILES: CC(C)(C)OC(=O)[C@H]1[C@@H](N1CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C21H23NO4/c1-21(2,3)26-20(23)19-18(22(19)12-14-7-5-4-6-8-14)15-9-10-16-17(11-15)25-13-24-16/h4-11,18-19H,12-13H2,1-3H3/t18-,19+,22?/m0/s1
SMILES: CCOC(=O)N(CC1=CC=CC=C1)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7=CC(=CC=C7)C(F)(F)F)C)O
InChI: InChI=1S/C40H46F3NO5/c1-4-49-34(47)44(24-26-9-6-5-7-10-26)25-38(48)18-15-32-36(38,3)17-14-31-35(2)16-13-29(45)22-37(35)19-20-39(31,32)30(23-37)33(46)27-11-8-12-28(21-27)40(41,42)43/h5-12,19-21,23,29,31-32,45,48H,4,13-18,22,24-25H2,1-3H3/t29?,31-,32-,35-,36+,37+,38-,39-/m1/s1
SMILES: CC(C)(C)OC(=O)C1=C(CC[C@H]2N1C(=O)[C@@H]2N=[N+]=[N-])Cl
InChI: InChI=1S/C12H15ClN4O3/c1-12(2,3)20-11(19)9-6(13)4-5-7-8(15-16-14)10(18)17(7)9/h7-8H,4-5H2,1-3H3/t7-,8-/m1/s1
SMILES: C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CC[C@@]3([C@@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)OC(=O)C)C)C)C
InChI: InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-17-18-32(9)27-15-13-25-26(30(27,7)19-20-31(24,32)8)14-16-28(29(25,5)6)34-23(4)33/h11,13,22,24,26-28H,10,12,14-20H2,1-9H3/t22-,24-,26+,27-,28-,30-,31-,32+/m0/s1
SMILES: C(CCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)CCCN=[N+]=[N-]
InChI: InChI=1S/C14H27N3O6/c15-17-16-7-5-3-1-2-4-6-8-22-14-13(21)12(20)11(19)10(9-18)23-14/h10-14,18-21H,1-9H2/t10-,11+,12+,13-,14-/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)CC[C@H](C2=CC3=CC=CC=C3S2)O)CCCCCCC(=O)OCC(C(C(CO)O)O)O)O
InChI: InChI=1S/C28H42O9S/c29-15-23(33)28(36)24(34)16-37-27(35)10-4-2-1-3-8-18-19(22(32)14-21(18)31)11-12-20(30)26-13-17-7-5-6-9-25(17)38-26/h5-7,9,13,18-24,28-34,36H,1-4,8,10-12,14-16H2/t18-,19-,20-,21+,22-,23?,24?,28?/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@H](O[C@@H]([C@@H]1OCOC)CCOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[C@@H]5[C@@H](OC(O5)(C)C)CO
InChI: InChI=1S/C39H54O8Si/c1-7-48(8-2,9-3)47-37-34(42-28-41-6)32(44-36(37)35-33(27-40)45-38(4,5)46-35)25-26-43-39(29-19-13-10-14-20-29,30-21-15-11-16-22-30)31-23-17-12-18-24-31/h10-24,32-37,40H,7-9,25-28H2,1-6H3/t32-,33+,34+,35+,36+,37+/m1/s1
SMILES: COC(=O)C1=C([C@@H]2C=C[C@H]1[C@]34[C@]2(C3)C5=C6C=CC=CC=C6C(=C5C4)C(=O)OC)C(=O)OC
InChI: InChI=1S/C26H22O6/c1-30-22(27)18-13-7-5-4-6-8-14(13)21-15(18)11-25-12-26(21,25)17-10-9-16(25)19(23(28)31-2)20(17)24(29)32-3/h4-10,16-17H,11-12H2,1-3H3/t16-,17+,25-,26+/m1/s1
SMILES: COC1=CC2=C(C=C1)[C@@H]([C@@H](CC2)NC(=O)C3CCC(CC3)CNS(=O)(=O)C4=CC=CC=C4)CC5=CN=CC=C5
InChI: InChI=1S/C31H37N3O4S/c1-38-26-14-15-28-25(19-26)13-16-30(29(28)18-23-6-5-17-32-20-23)34-31(35)24-11-9-22(10-12-24)21-33-39(36,37)27-7-3-2-4-8-27/h2-8,14-15,17,19-20,22,24,29-30,33H,9-13,16,18,21H2,1H3,(H,34,35)/t22?,24?,29-,30+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@]2([C@@](C2(C)C)([C@H]3[C@]1([C@@H]4C=C(C(=O)[C@H]4CC(=C3)C=O)C)O)C)OC(=O)C)OC(=O)C5=CC=CC=C5NC
InChI: InChI=1S/C31H37NO7/c1-16-12-22-21(25(16)35)13-19(15-33)14-24-29(6)28(4,5)31(29,39-18(3)34)26(17(2)30(22,24)37)38-27(36)20-10-8-9-11-23(20)32-7/h8-12,14-15,17,21-22,24,26,32,37H,13H2,1-7H3/t17-,21+,22-,24+,26-,29-,30+,31-/m1/s1
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4=C(C=C(C=C4)Cl)Cl)O
InChI: InChI=1S/C28H38Cl2N7O17P3S/c1-28(2,22(40)25(41)33-6-5-18(38)32-7-8-58-27(42)15-4-3-14(29)9-16(15)30)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)37-13-36-19-23(31)34-12-35-24(19)37/h3-4,9,12-13,17,20-22,26,39-40H,5-8,10-11H2,1-2H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t17-,20-,21-,22?,26-/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)C4=CC=CC(=C4)CNC(=O)C)CN(C)CCC5=CC=CC=N5
InChI: InChI=1S/C36H41N3O4/c1-25-34(23-39(3)20-18-33-9-4-5-19-37-33)42-36(43-35(25)30-12-10-27(24-40)11-13-30)31-16-14-29(15-17-31)32-8-6-7-28(21-32)22-38-26(2)41/h4-17,19,21,25,34-36,40H,18,20,22-24H2,1-3H3,(H,38,41)/t25-,34+,35+,36+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)C=C)C6=CC=C(C7=CC=CC=C67)O
InChI: InChI=1S/C35H27NO5/c1-3-19-8-10-20(11-9-19)36-34(40)25-13-12-24-26(31(25)35(36)41)17-27-29(38)16-18(2)33(39)32(27)30(24)23-14-15-28(37)22-7-5-4-6-21(22)23/h3-12,14-16,25-26,30-31,37H,1,13,17H2,2H3/t25-,26+,30-,31-/m0/s1
SMILES: C[C@H]1[C@@H](OC2=CC=CC=C2O1)C(=O)NC3=NC4=CC=CC=C4S3
InChI: InChI=1S/C17H14N2O3S/c1-10-15(22-13-8-4-3-7-12(13)21-10)16(20)19-17-18-11-6-2-5-9-14(11)23-17/h2-10,15H,1H3,(H,18,19,20)/t10-,15+/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)SC(C)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O
InChI: InChI=1S/C26H26N4O10S2/c1-14(11-27-26(34)40-13-17-5-9-19(10-6-17)30(37)38)41-25-21(28-22(32)20(15(2)31)23(28)42-25)24(33)39-12-16-3-7-18(8-4-16)29(35)36/h3-10,14-15,20,23,31H,11-13H2,1-2H3,(H,27,34)/t14?,15-,20+,23-/m1/s1
SMILES: COC1=CC=CC=C1[C@@H]2[C@@H](C(=O)N2C3=CC=CC=C3)OC4=CC=CC=C4.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChI: InChI=1S/C22H19NO3.3CO.Cr/c1-25-19-15-9-8-14-18(19)20-21(26-17-12-6-3-7-13-17)22(24)23(20)16-10-4-2-5-11-16;3*1-2;/h2-15,20-21H,1H3;;;;/t20-,21+;;;;/m1..../s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCCC2=CNC3=C2C=C(C=C3)OC)C4=CC=CC=C4)CCCO
InChI: InChI=1S/C28H34N2O5/c1-3-34-28-22(10-7-15-31)23(19-8-5-4-6-9-19)17-26(35-28)27(32)29-14-13-20-18-30-25-12-11-21(33-2)16-24(20)25/h4-6,8-9,11-12,16-18,22-23,28,30-31H,3,7,10,13-15H2,1-2H3,(H,29,32)/t22-,23+,28+/m0/s1
SMILES: COC(=O)CC(=C)C[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C33H38O7/c1-24(19-30(34)36-2)18-28-31(35)33(39-22-27-16-10-5-11-17-27)32(38-21-26-14-8-4-9-15-26)29(40-28)23-37-20-25-12-6-3-7-13-25/h3-17,28-29,31-33,35H,1,18-23H2,2H3/t28-,29-,31+,32+,33-/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2NC(=O)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H24N2O3S/c24-21(22-20-14-16-11-12-17(20)13-16)15-23(18-7-3-1-4-8-18)27(25,26)19-9-5-2-6-10-19/h1-10,16-17,20H,11-15H2,(H,22,24)/t16-,17-,20-/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)CC23O[C@@H]4[C@H]([C@@H]([C@H]([C@@H]([C@@H]4O3)O)O)O)O
InChI: InChI=1S/C16H26O6/c1-14(2)7-4-5-15(14,3)16(6-7)21-12-10(19)8(17)9(18)11(20)13(12)22-16/h7-13,17-20H,4-6H2,1-3H3/t7-,8-,9-,10+,11+,12-,13+,15-,16?/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NN=CN2C3=CC=CC=C3C)C(C)C
InChI: InChI=1S/C21H29N3O2S/c1-14(2)17-10-9-15(3)11-19(17)26-20(25)12-27-21-23-22-13-24(21)18-8-6-5-7-16(18)4/h5-8,13-15,17,19H,9-12H2,1-4H3/t15-,17+,19-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C=C(C=N6)C8=CC=CC=C8
InChI: InChI=1S/C29H28N2O3/c32-22-9-8-19-13-23-29(33)14-20-12-21(18-4-2-1-3-5-18)15-30-25(20)27-28(29,24(19)26(22)34-27)10-11-31(23)16-17-6-7-17/h1-5,8-9,12,15,17,23,27,32-33H,6-7,10-11,13-14,16H2/t23-,27+,28+,29-/m1/s1