EdisonScientific/glyph-datasets huggingface dataset:
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)COC(=O)C6=CC=CC=C6)C)(C)C)O)C)C(=O)OC
InChI: InChI=1S/C38H54O5/c1-24(2)26-15-20-37(33(41)42-7)21-22-38(23-43-32(40)25-11-9-8-10-12-25)27(31(26)37)13-14-29-35(5)18-17-30(39)34(3,4)28(35)16-19-36(29,38)6/h8-12,26-31,39H,1,13-23H2,2-7H3/t26-,27+,28-,29+,30-,31+,35-,36+,37-,38-/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)C4=CC=CC(=C4)CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CN6CCN(CC6)C7=NC=CC=N7
InChI: InChI=1S/C41H38F5N5O4/c1-24-31(22-50-16-18-51(19-17-50)41-47-14-3-15-48-41)54-40(55-38(24)28-8-6-25(23-52)7-9-28)29-12-10-27(11-13-29)30-5-2-4-26(20-30)21-49-39(53)32-33(42)35(44)37(46)36(45)34(32)43/h2-15,20,24,31,38,40,52H,16-19,21-23H2,1H3,(H,49,53)/t24-,31+,38+,40+/m0/s1
SMILES: CC[C@@H](NC(=O)N1C2=C(C=C(C(=C2)C)C)C(=CC1(C)C)C)N3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C26H35N3O3/c1-7-22(28-23(30)18-10-8-9-11-19(18)24(28)31)27-25(32)29-21-13-16(3)15(2)12-20(21)17(4)14-26(29,5)6/h12-14,18-19,22H,7-11H2,1-6H3,(H,27,32)/t18-,19-,22-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCCCC[C@H]1C(=O)[C@]2(CCCC[C@H]2O1)O
InChI: InChI=1S/C18H34O4Si/c1-17(2,3)23(4,5)21-13-9-7-10-14-16(19)18(20)12-8-6-11-15(18)22-14/h14-15,20H,6-13H2,1-5H3/t14-,15+,18+/m0/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)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(CC7=CC8=C(C=C7)OCO8)C(=O)OCCCl)OCC=C)OC
InChI: InChI=1S/C52H64ClN3O14/c1-4-23-67-52-46(56(51(60)64-25-20-53)31-33-14-18-43-45(26-33)66-32-65-43)30-41(55-70-47-13-7-10-24-63-47)38-27-34(11-5-8-21-57)37(12-6-9-22-58)48(49(38)52)39-28-36(16-19-42(39)69-52)68-50(59)54-40-17-15-35(61-2)29-44(40)62-3/h4,14-19,26-29,34,37,46-49,57-58H,1,5-13,20-25,30-32H2,2-3H3,(H,54,59)/t34-,37+,46-,47?,48+,49+,52+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C2=C(NC1=O)N(C(=O)N(C2=O)C)C)C3=CC=C(C=C3)F
InChI: InChI=1S/C18H18FN3O5/c1-4-27-17(25)13-11(9-5-7-10(19)8-6-9)12-14(20-15(13)23)21(2)18(26)22(3)16(12)24/h5-8,11,13H,4H2,1-3H3,(H,20,23)/t11-,13+/m0/s1
SMILES: C[C@H]1[C@@H](OCCN1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI: InChI=1S/C17H18ClNO3S/c1-13-17(14-5-3-2-4-6-14)22-12-11-19(13)23(20,21)16-9-7-15(18)8-10-16/h2-10,13,17H,11-12H2,1H3/t13-,17+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(C)(C(=O)OC)F)C(C)(C)C2=CC=CC=C2
InChI: InChI=1S/C21H29FO4/c1-14-11-12-16(20(2,3)15-9-7-6-8-10-15)17(13-14)26-19(24)21(4,22)18(23)25-5/h6-10,14,16-17H,11-13H2,1-5H3/t14-,16-,17-,21?/m1/s1
SMILES: C1CN2[C@H]([C@@H]([C@H](N2C1)C3=CC=C(C=C3)Br)C#N)C#N
InChI: InChI=1S/C14H13BrN4/c15-11-4-2-10(3-5-11)14-12(8-16)13(9-17)18-6-1-7-19(14)18/h2-5,12-14H,1,6-7H2/t12-,13-,14+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)CC=C)C
InChI: InChI=1S/C30H48O/c1-7-9-22-18-24-26-13-12-25(21(4)11-8-10-20(2)3)29(26,5)17-15-27(24)30(6)16-14-23(31)19-28(22)30/h7,19-22,24-27H,1,8-18H2,2-6H3/t21-,22-,24+,25-,26+,27+,29-,30-/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=CC4=CC=C(C=C4)C(=O)O[C@@H]5CC(=C[C@@H]6[C@H]5OC(O6)(C7CC7)C8CC8)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCC1O2
InChI: InChI=1S/C45H61NO9/c1-42(2,3)54-38(48)18-16-32(25-47)46-40(49)29-22-35(39-36(23-29)52-45(55-39,30-12-13-30)31-14-15-31)51-41(50)27-9-7-26(8-10-27)21-28-11-17-37-44(6,53-37)20-19-34-33(28)24-43(34,4)5/h7-10,21,23,30-37,39,47H,11-20,22,24-25H2,1-6H3,(H,46,49)/t32-,33+,34+,35+,36+,37?,39-,44+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CCCC[C@]34C)O)C
InChI: InChI=1S/C27H46O/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h11,18-23,25,28H,6-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,25+,26-,27-/m1/s1
SMILES: CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]([C@@H]([C@H]([C@@H]2C(=O)NO)O)O)OC
InChI: InChI=1S/C17H22N2O8S/c1-3-4-9-27-11-5-7-12(8-6-11)28(24,25)19-10-13(26-2)15(20)16(21)14(19)17(22)18-23/h5-8,13-16,20-21,23H,9-10H2,1-2H3,(H,18,22)/t13-,14+,15-,16-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=CC=CC(=C1)CNC(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=C(C=C4)C=COCCO)OC(O3)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C48H52N2O11/c1-47(2,3)60-42(53)22-21-39(31-52)50-45(55)35-12-10-11-33(27-35)30-49-44(54)36-28-40(58-46(56)34-19-17-32(18-20-34)23-25-57-26-24-51)43-41(29-36)59-48(61-43,37-13-6-4-7-14-37)38-15-8-5-9-16-38/h4-20,23,25,27,29,39-41,43,51-52H,21-22,24,26,28,30-31H2,1-3H3,(H,49,54)(H,50,55)/t39-,40+,41+,43-/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@]3([C@@]1(CC4=C(C=C5C(=C4O3)CNC5=O)OP(=O)(O)O)C)CC/C(=N\O)/C2(C)C
InChI: InChI=1S/C23H31N2O7P/c1-12-5-6-17-21(2,3)18(25-27)7-8-23(17)22(12,4)10-14-16(32-33(28,29)30)9-13-15(19(14)31-23)11-24-20(13)26/h9,12,17,27H,5-8,10-11H2,1-4H3,(H,24,26)(H2,28,29,30)/b25-18+/t12-,17-,22+,23-/m0/s1
SMILES: CC[Si](CC)(C(C)C)O[C@]12C[C@H](O[C@H]1O[C@@H]3C[C@@H]([C@H]2C3)CO)OC
InChI: InChI=1S/C18H34O5Si/c1-6-24(7-2,12(3)4)23-18-10-16(20-5)22-17(18)21-14-8-13(11-19)15(18)9-14/h12-17,19H,6-11H2,1-5H3/t13-,14-,15-,16+,17-,18+/m1/s1
SMILES: C[C@@H]1CN2CCC[C@@H]3[C@@H]2O[C@@H]1CCCCCC[C@@H]4CCCN5[C@H]4O[C@H](CCCCCC3)[C@@H](C5)C
InChI: InChI=1S/C30H54N2O2/c1-23-21-31-19-11-15-25-13-8-4-6-10-18-28-24(2)22-32-20-12-16-26(30(32)34-28)14-7-3-5-9-17-27(23)33-29(25)31/h23-30H,3-22H2,1-2H3/t23-,24-,25-,26-,27-,28-,29+,30+/m1/s1
SMILES: CC1=CC(=C(C=C1)C)N2[C@@H]([C@@H](C2=O)OC3=C(C=C(C=C3)Cl)C)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C26H26ClNO4/c1-15-6-7-16(2)20(12-15)28-24(18-8-10-22(30-4)23(14-18)31-5)25(26(28)29)32-21-11-9-19(27)13-17(21)3/h6-14,24-25H,1-5H3/t24-,25+/m1/s1
SMILES: C1[C@@H]2CC(=O)O[C@@H]2[C@H](C=C1S(=O)(=O)C3=CC=CC=C3)I
InChI: InChI=1S/C14H13IO4S/c15-12-8-11(6-9-7-13(16)19-14(9)12)20(17,18)10-4-2-1-3-5-10/h1-5,8-9,12,14H,6-7H2/t9-,12+,14+/m1/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)C[C@H]3C[C@H]4CCN3C[C@@H]4C=C
InChI: InChI=1S/C20H24N2O/c1-3-14-13-22-9-7-15(14)10-17(22)11-16-6-8-21-20-5-4-18(23-2)12-19(16)20/h3-6,8,12,14-15,17H,1,7,9-11,13H2,2H3/t14-,15+,17+/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)[O-])C4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C23H19NO2/c25-23(26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H,25,26)/p-1/t17-,19+,22+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C=CC5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C36H31N3O8/c1-36-27(15-11-20-12-16-29(40)30(17-20)47-2)24-13-14-25-31(34(43)37(32(25)41)22-9-6-10-23(18-22)39(45)46)26(24)19-28(36)33(42)38(35(36)44)21-7-4-3-5-8-21/h3-13,15-18,25-28,31,40H,14,19H2,1-2H3/t25-,26+,27-,28-,31-,36-/m0/s1
SMILES: C[C@@H](C(=O)OC)NC(=O)N[C@H]1[C@@H]2C[C@H]([C@H]1C(=O)N3CCC[C@H]3C(=O)OC)C=C2
InChI: InChI=1S/C19H27N3O6/c1-10(17(24)27-2)20-19(26)21-15-12-7-6-11(9-12)14(15)16(23)22-8-4-5-13(22)18(25)28-3/h6-7,10-15H,4-5,8-9H2,1-3H3,(H2,20,21,26)/t10-,11+,12-,13-,14+,15-/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O[C@@H]4C[C@H](CC[C@@H]4C(C)C)C
InChI: InChI=1S/C27H31NO5/c1-5-32-20-10-8-19(9-11-20)28-25(29)22-13-7-18(15-23(22)26(28)30)27(31)33-24-14-17(4)6-12-21(24)16(2)3/h7-11,13,15-17,21,24H,5-6,12,14H2,1-4H3/t17-,21+,24+/m0/s1
SMILES: COC[C@]12[C@@H]3C[C@H]([C@]1([C@H]4[C@@H]2[C@H]5C[C@@H]4C6=C(C7=CC8=CC=CC=C8C=C7C(=C56)OC)OC)COC)[C@@H]9[C@H]3[C@@]1([C@]9([C@@H]2[C@H]1[C@@H]1C[C@H]2C=C1)C(=O)OC)C(=O)OC
InChI: InChI=1S/C45H48O8/c1-48-18-42-28-17-29(37-36(28)44(40(46)52-5)32-22-11-12-23(13-22)33(32)45(37,44)41(47)53-6)43(42,19-49-2)35-27-16-26(34(35)42)30-31(27)39(51-4)25-15-21-10-8-7-9-20(21)14-24(25)38(30)50-3/h7-12,14-15,22-23,26-29,32-37H,13,16-19H2,1-6H3/t22-,23+,26-,27+,28+,29-,32+,33-,34-,35+,36-,37+,42+,43-,44+,45-
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)/C=C/C(=C/C(=O)/C=C/C3=CC(=C(C=C3)O)OC)/O)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C35H38O15/c1-19(36)45-18-31-32(46-20(2)37)33(47-21(3)38)34(48-22(4)39)35(50-31)49-28-14-10-24(16-30(28)44-6)8-12-26(41)17-25(40)11-7-23-9-13-27(42)29(15-23)43-5/h7-17,31-35,41-42H,18H2,1-6H3/b11-7+,12-8+,26-17-/t31-,32-,33+,34-,35-/m1/s1
SMILES: CC1=CC(=CC(=C1OC(=O)C)OC)/C=C(\CN2[C@H]([C@H](CC2=O)OC(=O)C)O)/C(=O)OC
InChI: InChI=1S/C21H25NO9/c1-11-6-14(8-16(28-4)19(11)31-13(3)24)7-15(21(27)29-5)10-22-18(25)9-17(20(22)26)30-12(2)23/h6-8,17,20,26H,9-10H2,1-5H3/b15-7+/t17-,20-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4C3CC[C@]5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)O)OC)O
InChI: InChI=1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20?,21?,22+,24-,25-,26+,27+,28+,29+,30?/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C([C@@H]3N2C=CC4=CC=CC=C34)(C#N)C#N)C5=CC=CS5
InChI: InChI=1S/C26H19N3O2S/c1-31-19-10-8-18(9-11-19)24(30)23-22(21-7-4-14-32-21)26(15-27,16-28)25-20-6-3-2-5-17(20)12-13-29(23)25/h2-14,22-23,25H,1H3/t22-,23+,25-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)N[C@@H]3CCCC4=CC=CC=C34
InChI: InChI=1S/C23H28N2O5/c26-20(24-19-11-5-7-15-6-1-2-8-16(15)19)14-30-21(27)12-13-25-22(28)17-9-3-4-10-18(17)23(25)29/h1-2,6,8,17-19H,3-5,7,9-14H2,(H,24,26)/t17-,18+,19-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C4C(=N3)N=C(N=C4OC(C)C)N)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C29H31N5O6/c1-16(2)38-26-21-14-34(33-25(21)31-29(30)32-26)24-13-22(40-28(36)20-11-7-18(4)8-12-20)23(39-24)15-37-27(35)19-9-5-17(3)6-10-19/h5-12,14,16,22-24H,13,15H2,1-4H3,(H2,30,31,33)/t22-,23+,24+/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCCC(=O)NC3=C(C=CC(=C3)Cl)Cl
InChI: InChI=1S/C18H18Cl2N2O3/c19-11-7-8-14(20)15(10-11)21-16(23)6-3-9-22-17(24)12-4-1-2-5-13(12)18(22)25/h1-2,7-8,10,12-13H,3-6,9H2,(H,21,23)/t12-,13-/m1/s1
SMILES: C1[C@@H]([C@@H](CS1(=O)=O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3
InChI: InChI=1S/C16H17N3O6S/c20-16(11-3-5-12(6-4-11)19(21)22)18-15-10-26(23,24)9-14(15)17-8-13-2-1-7-25-13/h1-7,14-15,17H,8-10H2,(H,18,20)/t14-,15+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O
InChI: InChI=1S/C21H30N2O4/c1-15-4-2-3-5-17(15)22-20(24)13-23-10-8-21(25,9-11-23)16-6-7-18-19(12-16)27-14-26-18/h6-7,12,15,17,25H,2-5,8-11,13-14H2,1H3,(H,22,24)/p+1/t15-,17-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4
InChI: InChI=1S/C16H21N3O3S/c20-16-17-13-8-7-12(10-14(13)18-16)23(21,22)19-9-3-5-11-4-1-2-6-15(11)19/h7-8,10-11,15H,1-6,9H2,(H2,17,18,20)/t11-,15-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(C=C[C@@H](C5)O)C)N6N4C(=O)N(C6=O)C7=CC=CC=C7)C
InChI: InChI=1S/C29H33N3O5/c1-18(33)37-23-10-9-21-26(23,2)13-12-22-27(3)14-11-20(34)17-28(27)15-16-29(21,22)32-25(36)30(24(35)31(28)32)19-7-5-4-6-8-19/h4-8,11,14-16,20-23,34H,9-10,12-13,17H2,1-3H3/t20-,21+,22+,23-,26-,27+,28+,29-/m0/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=C(C=C4)Cl
InChI: InChI=1S/C22H25ClN2O3S/c1-15-2-10-20(11-3-15)29(27,28)25(19-8-6-18(23)7-9-19)14-22(26)24-21-13-16-4-5-17(21)12-16/h2-3,6-11,16-17,21H,4-5,12-14H2,1H3,(H,24,26)/t16-,17-,21+/m0/s1
SMILES: CCCN(CCC1=CC=CC=C1OC)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)[NH3+])NC(=O)C.C(=O)(C(F)(F)F)[O-]
InChI: InChI=1S/C21H29N3O6.C2HF3O2/c1-4-10-24(11-9-14-7-5-6-8-16(14)29-3)20(26)19-18(23-13(2)25)15(22)12-17(30-19)21(27)28;3-2(4,5)1(6)7/h5-8,12,15,18-19H,4,9-11,22H2,1-3H3,(H,23,25)(H,27,28);(H,6,7)/t15-,18+,19+;/m0./s1
SMILES: CCCNC(=O)O[C@@H]1CC[C@@]2([C@H]([C@]1(C)CO)CC[C@H]([C@H]2CC(=O)NCC3=CC=CO3)O)C
InChI: InChI=1S/C24H38N2O6/c1-4-11-25-22(30)32-20-9-10-23(2)17(13-21(29)26-14-16-6-5-12-31-16)18(28)7-8-19(23)24(20,3)15-27/h5-6,12,17-20,27-28H,4,7-11,13-15H2,1-3H3,(H,25,30)(H,26,29)/t17-,18-,19-,20-,23+,24+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)COC2=CC=C(C=C2)OC
InChI: InChI=1S/C19H26N2O6/c1-13-5-3-4-6-16(13)20-19(24)21-17(22)11-27-18(23)12-26-15-9-7-14(25-2)8-10-15/h7-10,13,16H,3-6,11-12H2,1-2H3,(H2,20,21,22,24)/t13-,16-/m1/s1
SMILES: CC(C)[C@@H]1C[C@@H]2[C@@]3(C[C@H]1C[C@]2([C@@H](C3)SC#N)C)C
InChI: InChI=1S/C16H25NS/c1-10(2)12-5-13-15(3)6-11(12)7-16(13,4)14(8-15)18-9-17/h10-14H,5-8H2,1-4H3/t11-,12-,13+,14+,15+,16+/m0/s1
SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1C3=CC=C(C=C3)/C=C\I
InChI: InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-/t13-,14+,15+,16-/m0/s1
SMILES: C[N+]1=C(C=C(N=C1SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O[C@@H](C4=CC(=C(C=C4)O)O)C(=O)O)/C5=CSC(=N5)N)SC2)C(=O)OCC6=CC=C(C=C6)OC)N)N
InChI: InChI=1S/C34H33N9O10S3/c1-42-23(36)10-22(35)39-34(42)56-13-17-12-54-30-25(29(47)43(30)26(17)32(50)52-11-15-3-6-18(51-2)7-4-15)40-28(46)24(19-14-55-33(37)38-19)41-53-27(31(48)49)16-5-8-20(44)21(45)9-16/h3-10,14,25,27,30H,11-13H2,1-2H3,(H9,35,36,37,38,40,41,44,45,46,48,49)/p+1/t25-,27+,30-/m1/s1
SMILES: C1=CC2=C(C=C1F)C3=C4C(=C5C6=C(C=CC(=C6)F)N(C5=C3N2)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CF)O)O)O)C(=O)NC4=O
InChI: InChI=1S/C26H18F3N3O6/c27-7-14-21(33)22(34)23(35)26(38-14)32-13-4-2-9(29)6-11(13)16-18-17(24(36)31-25(18)37)15-10-5-8(28)1-3-12(10)30-19(15)20(16)32/h1-6,14,21-23,26,30,33-35H,7H2,(H,31,36,37)/t14-,21-,22+,23-,26-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C18H18N2O5/c21-15(19-12-6-2-1-3-7-12)11-25-16(22)10-20-17(23)13-8-4-5-9-14(13)18(20)24/h1-7,13-14H,8-11H2,(H,19,21)/t13-,14-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@@H]\2[C@H](C(=O)N/[N+]2=C\C3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C24H19F2N3O2/c1-15-2-6-17(7-3-15)22-21(27-23(30)18-8-12-20(26)13-9-18)24(31)28-29(22)14-16-4-10-19(25)11-5-16/h2-14,21-22H,1H3,(H-,27,28,30,31)/p+1/b29-14-/t21-,22-/m1/s1
SMILES: C1CN2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)CN)C(=O)NCC4=CC=C(C=C4)F
InChI: InChI=1S/C19H25FN6O/c20-15-3-1-13(2-4-15)9-22-19(27)18-12-25-6-5-14(18)7-17(25)11-26-10-16(8-21)23-24-26/h1-4,10,14,17-18H,5-9,11-12,21H2,(H,22,27)/t14-,17-,18+/m1/s1
SMILES: CCC[C@@H]1[C@@H](C(=C)C[C@@H](O1)C2CCCCC2)OC(=O)N(C(C)C)C(C)C
InChI: InChI=1S/C22H39NO3/c1-7-11-19-21(26-22(24)23(15(2)3)16(4)5)17(6)14-20(25-19)18-12-9-8-10-13-18/h15-16,18-21H,6-14H2,1-5H3/t19-,20-,21-/m1/s1
SMILES: C1=CC=C(C=C1)CCC2=CC(=CC=C2)CC[C@@H]3[C@H](C(=O)O3)CO
InChI: InChI=1S/C20H22O3/c21-14-18-19(23-20(18)22)12-11-17-8-4-7-16(13-17)10-9-15-5-2-1-3-6-15/h1-8,13,18-19,21H,9-12,14H2/t18-,19-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4F)C)C
InChI: InChI=1S/C21H29FO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h5,13-15,18-19H,4,6-11H2,1-3H3/t13-,14-,15-,18-,19?,20+,21-/m0/s1
SMILES: CC1=C2[C@@H]3[C@H]([C@@]4(CC[C@@H]5[C@](C4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C6=C(C=CC=N6)F)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)O[C@@H](O3)CN(C)C
InChI: InChI=1S/C46H60FN3O13/c1-24-28(58-40(54)34(52)33(32-27(47)17-14-20-48-32)49-41(55)63-42(3,4)5)21-46(56)38(61-39(53)26-15-12-11-13-16-26)36-44(8,19-18-29-45(36,23-57-29)62-25(2)51)37-35(31(24)43(46,6)7)59-30(60-37)22-50(9)10/h11-17,20,28-30,33-38,52,56H,18-19,21-23H2,1-10H3,(H,49,55)/t28-,29+,30+,33-,34+,35+,36?,37+,38-,44+,45-,46+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=S)NNC(=O)/C=C/C2=CC=C(S2)C
InChI: InChI=1S/C17H25N3OS2/c1-11-5-4-6-15(13(11)3)18-17(22)20-19-16(21)10-9-14-8-7-12(2)23-14/h7-11,13,15H,4-6H2,1-3H3,(H,19,21)(H2,18,20,22)/b10-9+/t11-,13+,15+/m1/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@H]4CSC[C@@H]4OCC5=CC=CC=C5)C
InChI: InChI=1S/C22H29NO4S2/c1-21(2)16-8-9-22(21)14-29(25,26)23(19(22)10-16)20(24)17-12-28-13-18(17)27-11-15-6-4-3-5-7-15/h3-7,16-19H,8-14H2,1-2H3/t16-,17+,18+,19-,22-/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)CCCNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)N)[C@H]3[C@@H]([C@]4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C38H69N7O10SSi2/c1-25-22-45(35(49)44(32(25)47)21-15-19-42-31(46)27-17-14-20-43(27)33(48)26(40)16-12-13-18-39)34-30(54-58(10,11)37(5,6)7)38(28(41)24-56(50,51)55-38)29(53-34)23-52-57(8,9)36(2,3)4/h22,24,26-27,29-30,34H,12-21,23,39-41H2,1-11H3,(H,42,46)/t26-,27-,29+,30-,34+,38+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)N)N(CC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C21H22ClF3N2O3S/c22-16-9-11-17(12-10-16)31(29,30)27(19-4-2-1-3-18(19)20(26)28)13-14-5-7-15(8-6-14)21(23,24)25/h5-12,18-19H,1-4,13H2,(H2,26,28)/t18-,19-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC(=C[C@]([C@H]1OC)(C=C)O)C(=O)OC
InChI: InChI=1S/C17H30O5Si/c1-9-17(19)11-12(15(18)21-6)10-13(14(17)20-5)22-23(7,8)16(2,3)4/h9,11,13-14,19H,1,10H2,2-8H3/t13-,14+,17+/m1/s1
SMILES: CC(=O)O[C@]1(C[C@@]23CCC4[C@](CCC[C@]4(C2CC[C@H]1C3)C)(C)C=O)C(=O)OC
InChI: InChI=1S/C23H34O5/c1-15(25)28-23(19(26)27-4)13-22-11-8-17-20(2,14-24)9-5-10-21(17,3)18(22)7-6-16(23)12-22/h14,16-18H,5-13H2,1-4H3/t16-,17?,18?,20-,21+,22-,23-/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)ON2C5=CC=CC=C5
InChI: InChI=1S/C24H18N2O5/c27-22-19-20(15-7-3-1-4-8-15)26(18-9-5-2-6-10-18)31-21(19)23(28)25(22)17-13-11-16(12-14-17)24(29)30/h1-14,19-21H,(H,29,30)/t19-,20+,21+/m1/s1
SMILES: COC1=C(C=CC(=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)I
InChI: InChI=1S/C39H28Cl2F3IN4O6/c1-55-30-15-23(50)10-11-25(30)32-24-12-13-26-31(36(53)48(34(26)51)22-8-6-21(45)7-9-22)27(24)16-28-35(52)49(37(54)38(28,32)18-2-4-20(40)5-3-18)47-33-29(41)14-19(17-46-33)39(42,43)44/h2-12,14-15,17,26-28,31-32,50H,13,16H2,1H3,(H,46,47)/t26-,27+,28-,31-,32+,38+/m0/s1
SMILES: COC(=O)[C@H]1C[C@H]2CC[C@@H](C[C@H]2N1CC3=C(C=CC=C3Cl)F)O
InChI: InChI=1S/C17H21ClFNO3/c1-23-17(22)16-7-10-5-6-11(21)8-15(10)20(16)9-12-13(18)3-2-4-14(12)19/h2-4,10-11,15-16,21H,5-9H2,1H3/t10-,11+,15-,16-/m1/s1
SMILES: CCC1=C2C(=CC=C1)[C@]3([C@H]4[C@@H]([C@H](N3)CCC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5OC)C(=O)N2
InChI: InChI=1S/C26H28N4O5/c1-3-14-8-6-9-16-22(14)28-25(34)26(16)21-20(17(29-26)11-12-19(27)31)23(32)30(24(21)33)13-15-7-4-5-10-18(15)35-2/h4-10,17,20-21,29H,3,11-13H2,1-2H3,(H2,27,31)(H,28,34)/t17-,20-,21+,26+/m1/s1
SMILES: C[C@@]1([C@@H]2[C@H](O[C@@H]1[C@@H](COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(O2)(C)C)OCC5=CC=CC=C5
InChI: InChI=1S/C31H32O8/c1-30(2)38-26-29(39-30)37-25(31(26,3)35-19-21-13-7-4-8-14-21)24(36-28(33)23-17-11-6-12-18-23)20-34-27(32)22-15-9-5-10-16-22/h4-18,24-26,29H,19-20H2,1-3H3/t24-,25-,26+,29-,31-/m1/s1
SMILES: C1[C@@H]2[C@@H]1[C@H](N(C2)C(=O)C3=CC(=CC=C3)C(F)(F)F)C(=O)O
InChI: InChI=1S/C14H12F3NO3/c15-14(16,17)9-3-1-2-7(4-9)12(19)18-6-8-5-10(8)11(18)13(20)21/h1-4,8,10-11H,5-6H2,(H,20,21)/t8-,10+,11-/m0/s1
SMILES: C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(=O)O6)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
InChI: InChI=1S/C40H28O26/c41-13-1-8(2-14(42)24(13)48)34(54)66-40-33-32-30(62-38(58)12(6-19(46)47)23-22-11(37(57)65-33)5-17(45)27(51)31(22)63-39(23)59)18(61-40)7-60-35(55)9-3-15(43)25(49)28(52)20(9)21-10(36(56)64-32)4-16(44)26(50)29(21)53/h1-5,12,18,23,30,32-33,40-45,48-53H,6-7H2,(H,46,47)/t12?,18-,23?,30-,32+,33-,40+/m1/s1
SMILES: CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)Cl)[C@@H]3C[C@H]3F
InChI: InChI=1S/C15H11ClF3NO3/c1-2-23-15(22)7-5-20(10-4-8(10)17)13-6(14(7)21)3-9(18)12(19)11(13)16/h3,5,8,10H,2,4H2,1H3/t8-,10-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)NCCSC3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H19ClN2O3S/c19-12-5-7-13(8-6-12)25-10-9-20-16(22)11-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-2,5-8,14-15H,3-4,9-11H2,(H,20,22)/t14-,15+
SMILES: CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2N)(C)C
InChI: InChI=1S/C13H20N2O6S/c1-5-19-12(18)21-6(2)20-11(17)8-13(3,4)22-10-7(14)9(16)15(8)10/h6-8,10H,5,14H2,1-4H3/t6?,7-,8+,10-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]2[C@@H](CO[C@@H](O2)C3=CC=CC=C3)O[C@@H]([C@@H]1OC(=O)C)OCC4=CC=CC=C4
InChI: InChI=1S/C24H26O8/c1-15(25)29-21-20-19(14-28-23(32-20)18-11-7-4-8-12-18)31-24(22(21)30-16(2)26)27-13-17-9-5-3-6-10-17/h3-12,19-24H,13-14H2,1-2H3/t19-,20-,21+,22-,23+,24+/m1/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](CC4)Cl
InChI: InChI=1S/C17H20ClNO2/c1-19-7-6-17-10-3-4-11(18)16(17)21-15-13(20)5-2-9(14(15)17)8-12(10)19/h2,5,10-12,16,20H,3-4,6-8H2,1H3/t10-,11-,12+,16-,17-/m0/s1
SMILES: COC1=CC(=O)[C@@H]2[C@H]3COC4=CC=CC=C4[C@H]3[C@@H]2C1=O
InChI: InChI=1S/C16H14O4/c1-19-12-6-10(17)14-9-7-20-11-5-3-2-4-8(11)13(9)15(14)16(12)18/h2-6,9,13-15H,7H2,1H3/t9-,13+,14-,15-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C19H40O2Si/c1-13(2)22(14(3)4,15(5)6)21-12-17(8)18-10-9-16(7)11-19(18)20/h13-20H,9-12H2,1-8H3/t16-,17+,18+,19-/m1/s1
SMILES: COC(=O)[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)S[Hg]C2=CC=CC=C2
InChI: InChI=1S/C9H16O7S.C6H5.Hg/c1-15-8(14)9(17)2-4(11)6(13)7(16-9)5(12)3-10;1-2-4-6-5-3-1;/h4-7,10-13,17H,2-3H2,1H3;1-5H;/q;;+1/p-1/t4-,5-,6-,7-,9-;;/m1../s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C
InChI: InChI=1S/C19H24N2O6S/c1-13-11-17(13)19(24)27-12-18(23)20-7-9-21(10-8-20)28(25,26)16-5-3-15(4-6-16)14(2)22/h3-6,13,17H,7-12H2,1-2H3/t13-,17+/m0/s1
SMILES: CC(C)(C)[Si]1(OC[C@@H]2[C@@H](O1)[C@H]([C@@H](O2)N3C=CC(=O)NC3=O)[Se]C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C23H32N2O5SeSi/c1-22(2,3)32(23(4,5)6)28-14-16-18(30-32)19(31-15-10-8-7-9-11-15)20(29-16)25-13-12-17(26)24-21(25)27/h7-13,16,18-20H,14H2,1-6H3,(H,24,26,27)/t16-,18-,19-,20-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@@H]([C@@H](C=C(O1)C2(CCC2)O)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C34H70O5Si3/c1-23(2)41(24(3)4,25(5)6)36-22-30-32(39-40(16,17)33(13,14)15)29(21-31(37-30)34(35)19-18-20-34)38-42(26(7)8,27(9)10)28(11)12/h21,23-30,32,35H,18-20,22H2,1-17H3/t29-,30-,32-/m1/s1
SMILES: COC1=CC=C([C@@H]([C@@H]1[N+](=O)[O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])F
InChI: InChI=1S/C8H7FN4O9/c1-22-5-3-2-4(9)6(7(5)10(14)15)8(11(16)17,12(18)19)13(20)21/h2-3,6-7H,1H3/t6-,7+/m0/s1
SMILES: CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)OC)C
InChI: InChI=1S/C25H31ClO6/c1-13-20(17(28)8-18(30-5)21(13)26)22(29)32-19-11-24(4)16-10-23(2,3)9-14(16)7-15(12-27)25(19,24)31-6/h7-8,12,14,16,19,28H,9-11H2,1-6H3/t14-,16+,19-,24-,25+/m1/s1
SMILES: C[C@@H]1[C@H](C2(C3[C@H]4C1([C@@]5(C=CC(=O)[C@]5([C@@H]([C@@]6([C@H]4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(C)C)OC(=O)CCC8=CC=CC=C8
InChI: InChI=1S/C36H40O10/c1-20(2)33-27(42-25(39)16-15-22-11-7-5-8-12-22)21(3)35-26(29(33)44-36(45-33,46-35)23-13-9-6-10-14-23)28-32(19-37,43-28)30(40)34(41)24(38)17-18-31(34,35)4/h5-14,17-18,20-21,26-30,37,40-41H,15-16,19H2,1-4H3/t21-,26+,27-,28+,29?,30-,31-,32+,33?,34-,35?,36?/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)NC(=O)C4=CN=CC=C4)C
InChI: InChI=1S/C37H56N4O11/c1-12-26-37(8)30(41(35(47)52-37)39-32(45)24-14-13-15-38-18-24)21(4)27(42)19(2)17-36(7,48-11)31(22(5)28(43)23(6)33(46)50-26)51-34-29(44)25(40(9)10)16-20(3)49-34/h13-15,18-23,25-26,29-31,34,44H,12,16-17H2,1-11H3,(H,39,45)/t19-,20-,21+,22+,23-,25+,26-,29-,30-,31-,34+,36-,37-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC5=C(C4)N(C6=NC(=NC(=O)C6=C5)C7=CC=CC=C7)C8=CC=C(C=C8)Cl)C
InChI: InChI=1S/C36H38ClN3O2/c1-35-17-16-29-26(28(35)14-15-31(35)41)13-8-23-19-30-22(20-36(23,29)2)18-27-33(40(30)25-11-9-24(37)10-12-25)38-32(39-34(27)42)21-6-4-3-5-7-21/h3-7,9-12,18,23,26,28-29,31,41H,8,13-17,19-20H2,1-2H3/t23-,26-,28-,29-,31-,35-,36-/m0/s1
SMILES: COC(=O)[C@@H]1[C@H](C(=C2[C@]([C@@H]1C(=O)OC)([C@@H](C(=NC3CCCCC3)N2C4CCCCC4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI: InChI=1S/C32H44N2O12/c1-41-26(35)19-20(27(36)42-2)22(29(38)44-4)32(31(40)46-6)23(30(39)45-5)25(33-17-13-9-7-10-14-17)34(18-15-11-8-12-16-18)24(32)21(19)28(37)43-3/h17-20,22-23H,7-16H2,1-6H3/t19-,20-,22+,23+,32+/m1/s1
SMILES: CC1(CC2=C([C@H]([C@H](C(=O)N2)C#N)C3=CC=CC=C3)C(=O)C1)C
InChI: InChI=1S/C18H18N2O2/c1-18(2)8-13-16(14(21)9-18)15(11-6-4-3-5-7-11)12(10-19)17(22)20-13/h3-7,12,15H,8-9H2,1-2H3,(H,20,22)/t12-,15+/m1/s1
SMILES: CC1=CC[C@@H]([C@H]([C@H]1C[C@@H]([C@@H](C=C)OC2=CC=C(C=C2)OC)OCOC)C[C@H]([C@H](C=C)OC3=CC=C(C=C3)OC)OC(=O)C(C)(C)C)C(C)C
InChI: InChI=1S/C41H58O8/c1-12-36(47-31-19-15-29(44-10)16-20-31)38(46-26-43-9)24-34-28(5)14-23-33(27(3)4)35(34)25-39(49-40(42)41(6,7)8)37(13-2)48-32-21-17-30(45-11)18-22-32/h12-22,27,33-39H,1-2,23-26H2,3-11H3/t33-,34+,35-,36-,37+,38+,39-/m1/s1