EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)OC1CC2[C@]3(CCCC(C3CC[C@]2(C4[C@]1([C@H](C(=CC4)C=O)C=O)C)C)(C)C)C
InChI: InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20?,21?,22?,23?,25-,26-,27+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2C3=C(C=C(C=C3)C4=NN(C(=O)S[C@H]4C)C(=O)O[C@@H]5C[C@@H](CC[C@H]5C(C)C)C)C6(C2=O)SCCCS6)C(C)C
InChI: InChI=1S/C37H51N3O6S3/c1-20(2)26-12-9-22(5)17-30(26)45-34(42)39-29-14-11-25(19-28(29)37(33(39)41)47-15-8-16-48-37)32-24(7)49-36(44)40(38-32)35(43)46-31-18-23(6)10-13-27(31)21(3)4/h11,14,19-24,26-27,30-31H,8-10,12-13,15-18H2,1-7H3/t22-,23-,24+,26+,27+,30-,31-/m1/s1
SMILES: CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)C(=O)COC(=O)C(C)C
InChI: InChI=1S/C29H40O7/c1-7-24(33)36-29(23(32)15-35-26(34)16(2)3)11-9-20-19-12-17(4)21-13-18(30)8-10-27(21,5)25(19)22(31)14-28(20,29)6/h8,10,13,16-17,19-20,22,25,31H,7,9,11-12,14-15H2,1-6H3/t17-,19-,20-,22-,25+,27-,28-,29-/m0/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4[C@H](CC=C4COC(C)(C)OC)C(=CO3)C(=O)OC)O)O)C
InChI: InChI=1S/C24H36O11/c1-23(2,29-6)31-9-12-7-8-13-14(20(27)28-5)10-30-21(16(12)13)34-22-18(26)17(25)19-15(33-22)11-32-24(3,4)35-19/h7,10,13,15-19,21-22,25-26H,8-9,11H2,1-6H3/t13-,15-,16-,17-,18-,19-,21+,22+/m1/s1
SMILES: CCOC(=O)[C@]1(CC[C@@]([C@@H]1CC(=O)C)(C)NC(=O)C)C#N
InChI: InChI=1S/C15H22N2O4/c1-5-21-13(20)15(9-16)7-6-14(4,17-11(3)19)12(15)8-10(2)18/h12H,5-8H2,1-4H3,(H,17,19)/t12-,14+,15+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](NC(=N2)C3=CC=C(C=C3)Cl)CC(F)(F)F.Cl
InChI: InChI=1S/C17H14ClF3N2.ClH/c18-13-8-6-12(7-9-13)16-22-14(10-17(19,20)21)15(23-16)11-4-2-1-3-5-11;/h1-9,14-15H,10H2,(H,22,23);1H/t14-,15+;/m1./s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC[C@@H](CN2CCN(CC2)CC3=CC=CC=C3)O)C(C)C
InChI: InChI=1S/C24H40N2O2/c1-19(2)23-10-9-20(3)15-24(23)28-18-22(27)17-26-13-11-25(12-14-26)16-21-7-5-4-6-8-21/h4-8,19-20,22-24,27H,9-18H2,1-3H3/t20-,22+,23-,24+/m0/s1
SMILES: C1CN2[C@H]([C@@H]3[C@H](N2C1)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C5=CC=CC=C5
InChI: InChI=1S/C20H17ClN4O4/c21-14-8-7-13(11-15(14)25(28)29)24-19(26)16-17(12-5-2-1-3-6-12)22-9-4-10-23(22)18(16)20(24)27/h1-3,5-8,11,16-18H,4,9-10H2/t16-,17+,18+/m1/s1
SMILES: C1=NC(=NN1[C@@H]2[C@H]([C@H]([C@H](O2)CO)O)O)C(=O)N
InChI: InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4+,5+,8+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CC(=O)OCC(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H16ClNO5/c20-13-5-3-10(4-6-13)14(22)9-26-15(23)8-21-18(24)16-11-1-2-12(7-11)17(16)19(21)25/h1-6,11-12,16-17H,7-9H2/t11-,12+,16+,17-
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H](C(C(O1)O)F)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C16H25FO12/c1-5(19)25-4-8-13(14(26-6(2)20)9(17)15(24)27-8)29-16-12(23)11(22)10(21)7(3-18)28-16/h7-16,18,21-24H,3-4H2,1-2H3/t7-,8-,9?,10+,11+,12-,13-,14-,15?,16+/m1/s1
SMILES: CC1=CC=C(C=C1)OC[C@@H](CN2[C@@H]3[C@@H](NC(=O)N3)NC2=O)O
InChI: InChI=1S/C14H18N4O4/c1-8-2-4-10(5-3-8)22-7-9(19)6-18-12-11(16-14(18)21)15-13(20)17-12/h2-5,9,11-12,19H,6-7H2,1H3,(H,16,21)(H2,15,17,20)/t9-,11+,12-/m1/s1
SMILES: CC1(O[C@@H]2CO[C@H]([C@@H]2O1)N3C=C(C4=C(N=CN=C43)NC5=CC6=C(C=C5)OCCO6)C7=CC=CC=C7)C
InChI: InChI=1S/C27H26N4O5/c1-27(2)35-21-14-34-26(23(21)36-27)31-13-18(16-6-4-3-5-7-16)22-24(28-15-29-25(22)31)30-17-8-9-19-20(12-17)33-11-10-32-19/h3-9,12-13,15,21,23,26H,10-11,14H2,1-2H3,(H,28,29,30)/t21-,23-,26-/m1/s1
SMILES: C[C@H](C1=CC=C(C=C1)Cl)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H23ClN2O3/c1-12(13-6-8-14(20)9-7-13)21-17(23)10-11-22-18(24)15-4-2-3-5-16(15)19(22)25/h6-9,12,15-16H,2-5,10-11H2,1H3,(H,21,23)/t12-,15-,16+/m1/s1
SMILES: CCCCOC(=O)[C@@H]1[C@H](N2C(=NC=N2)NC1=C)C3=CC=CC=C3
InChI: InChI=1S/C17H20N4O2/c1-3-4-10-23-16(22)14-12(2)20-17-18-11-19-21(17)15(14)13-8-6-5-7-9-13/h5-9,11,14-15H,2-4,10H2,1H3,(H,18,19,20)/t14-,15+/m0/s1
SMILES: CC[C@]12CCC3=C(C1=CC[C@H]2OC(=O)C)CC4=C3C=CC(=C4)OC
InChI: InChI=1S/C21H24O3/c1-4-21-10-9-17-16-6-5-15(23-3)11-14(16)12-18(17)19(21)7-8-20(21)24-13(2)22/h5-7,11,20H,4,8-10,12H2,1-3H3/t20-,21+/m1/s1
SMILES: CS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H38O5S/c1-41-35-34(39-25-30-20-12-5-13-21-30)33(38-24-29-18-10-4-11-19-29)32(37-23-28-16-8-3-9-17-28)31(40-35)26-36-22-27-14-6-2-7-15-27/h2-21,31-35H,22-26H2,1H3/t31-,32-,33+,34+,35-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C21H22N2O3/c1-14-7-2-5-12-18(14)23-20(25)19(24)22(21(23)26)13-16-10-6-9-15-8-3-4-11-17(15)16/h3-4,6,8-11,14,18H,2,5,7,12-13H2,1H3/t14-,18+/m0/s1
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@@H]2OCCNCCOC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C21H32N2O3/c1-20(2)16-9-10-21(20,3)18(15-16)25-13-11-22-12-14-26-19(24)23-17-7-5-4-6-8-17/h4-8,16,18,22H,9-15H2,1-3H3,(H,23,24)/t16-,18-,21+/m0/s1
SMILES: C1[C@@H]2[C@@H](C3=CC=CC=C31)N=C(O2)CC4=N[C@H]5[C@@H](O4)CC6=CC=CC=C56
InChI: InChI=1S/C21H18N2O2/c1-3-7-14-12(5-1)9-16-20(14)22-18(24-16)11-19-23-21-15-8-4-2-6-13(15)10-17(21)25-19/h1-8,16-17,20-21H,9-11H2/t16-,17+,20-,21-/m1/s1
SMILES: C1C[C@H]2[C@]3(CC4=CC=CC=C4N2C1)C(=O)NC(=O)N(C3=O)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C21H18ClN3O3/c22-14-6-3-7-15(11-14)25-19(27)21(18(26)23-20(25)28)12-13-5-1-2-8-16(13)24-10-4-9-17(21)24/h1-3,5-8,11,17H,4,9-10,12H2,(H,23,26,28)/t17-,21+/m0/s1
SMILES: CC(C1=CC=CC2=CC=CC=C21)N[C@H]3CCCC[C@@H]3NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C25H27F3N2O2S/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)29-23-11-4-5-12-24(23)30-33(31,32)20-15-13-19(14-16-20)25(26,27)28/h2-3,6-10,13-17,23-24,29-30H,4-5,11-12H2,1H3/t17?,23-,24-/m0/s1
SMILES: CCC(CC)C(=O)N[C@H]([C@H](C(=O)O[C@H]1C[C@]2([C@H]([C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)(C(=O)[C@@H](C(=C1C)C2(C)C)O)C)OC(=O)C5=CC=CC=C5)O)O)C(C)(C)C
InChI: InChI=1S/C42H59NO13/c1-11-23(12-2)35(49)43-32(38(5,6)7)30(47)37(51)54-25-19-42(52)34(55-36(50)24-16-14-13-15-17-24)31-40(10,33(48)29(46)28(21(25)3)39(42,8)9)26(45)18-27-41(31,20-53-27)56-22(4)44/h13-17,23,25-27,29-32,34,45-47,52H,11-12,18-20H2,1-10H3,(H,43,49)/t25-,26-,27+,29+,30+,31-,32+,34-,40+,41-,42+/m0/s1
SMILES: COC1=C(C(=C(C(=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)Br)O
InChI: InChI=1S/C33H22Br2Cl2FN3O8/c1-49-22-12-20(25(34)26(35)27(22)42)24-18-9-10-19-23(29(44)39(28(19)43)16-3-2-4-17(11-16)41(47)48)21(18)13-32(36)30(45)40(31(46)33(24,32)37)15-7-5-14(38)6-8-15/h2-9,11-12,19,21,23-24,42H,10,13H2,1H3/t19-,21+,23-,24+,32+,33-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)CCNC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC=C(C=C5)C=CC(=O)OCC(F)(F)F)OC(O4)(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C46H50F3N3O12/c1-43(2,3)61-36(56)21-19-32(26-53)51-34(54)22-23-50-42(58)44-24-33-37-38(63-46(62-37,30-10-6-4-7-11-30)31-12-8-5-9-13-31)40(44)64-52(39(44)41(57)60-33)25-29-16-14-28(15-17-29)18-20-35(55)59-27-45(47,48)49/h4-18,20,32-33,37-40,53H,19,21-27H2,1-3H3,(H,50,58)(H,51,54)/t32-,33+,37-,38-,39-,40+,44-/m0/s1
SMILES: CC1=CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O
InChI: InChI=1S/C16H15NO4/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)11-5-3-10(4-6-11)16(20)21/h2-6,12-13H,7-8H2,1H3,(H,20,21)/t12-,13+/m0/s1
SMILES: CCCCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C
InChI: InChI=1S/C31H34N2O4/c1-5-6-20-36-25-18-16-23(17-19-25)32-29(34)26-27(21-12-14-22(15-13-21)31(2,3)4)33(37-28(26)30(32)35)24-10-8-7-9-11-24/h7-19,26-28H,5-6,20H2,1-4H3/t26-,27+,28+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]2[C@@H](CC3=CC=CC=C13)C(=O)NCCN2
InChI: InChI=1S/C19H30N2O2Si/c1-19(2,3)24(4,5)23-17-14-9-7-6-8-13(14)12-15-16(17)20-10-11-21-18(15)22/h6-9,15-17,20H,10-12H2,1-5H3,(H,21,22)/t15-,16+,17-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25+,26+,27-,28+,29-/m1/s1
SMILES: CC1=CC=C(C=C1)OCCNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H26N2O4/c1-14-6-8-15(9-7-14)26-13-11-21-18(23)10-12-22-19(24)16-4-2-3-5-17(16)20(22)25/h6-9,16-17H,2-5,10-13H2,1H3,(H,21,23)/t16-,17-/m0/s1
SMILES: CC1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)[O-])O3
InChI: InChI=1S/C15H15NO4/c1-8-2-4-9(5-3-8)16-14(17)12-10-6-7-11(20-10)13(12)15(18)19/h2-7,10-13H,1H3,(H,16,17)(H,18,19)/p-1/t10-,11+,12+,13-/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OCC=C
InChI: InChI=1S/C19H22N2O4/c1-3-12-25-19(24)17-7-5-4-6-16(17)18(23)21-15-10-8-14(9-11-15)20-13(2)22/h3-5,8-11,16-17H,1,6-7,12H2,2H3,(H,20,22)(H,21,23)/t16-,17+/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]4([C@H](C[C@@H](C([C@H]4C(=O)[C@@H]3O)(C)C)O)OC(=O)C)C)[C@@H](C2=C)OC(=O)C
InChI: InChI=1S/C26H36O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)22(32)26(20,10-15)23(11)35-14(4)29/h15-18,20-23,30,32H,1,8-10H2,2-7H3/t15-,16+,17+,18+,20+,21-,22+,23-,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)CNC(=O)NC45CC6CC(C4)CC(C6)C5)CN(C)[C@H](C)C7=CC8=CC=CC=C8C=C7
InChI: InChI=1S/C44H53N3O4/c1-28-40(26-47(3)29(2)38-17-16-35-6-4-5-7-39(35)21-38)50-42(51-41(28)36-12-10-31(27-48)11-13-36)37-14-8-30(9-15-37)25-45-43(49)46-44-22-32-18-33(23-44)20-34(19-32)24-44/h4-17,21,28-29,32-34,40-42,48H,18-20,22-27H2,1-3H3,(H2,45,46,49)/t28-,29-,32?,33?,34?,40+,41+,42+,44?/m1/s1
SMILES: CCC1C(NCC(/C(=N/O)/[C@@H](C[C@]([C@@H]([C@H](C([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)OC)C)C)C
InChI: InChI=1S/C37H69N3O11/c1-14-27-24(7)39-18-20(3)29(40-44)19(2)16-37(10,46-13)33(51-35-30(41)26(38-11)15-21(4)47-35)22(5)31(23(6)34(43)49-27)50-28-17-36(9,45-12)32(42)25(8)48-28/h19-28,30-33,35,38-39,41-42,44H,14-18H2,1-13H3/b40-29+/t19-,20?,21-,22+,23-,24?,25+,26+,27?,28+,30-,31?,32+,33-,35+,36-,37+/m1/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)N2CCC3=CC(=C(C=C3[C@H]2CC4=CC=C(C=C4)OC)OC)OC)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C45H65NO12/c1-42(2,3)38(47)54-25-33-34(56-39(48)43(4,5)6)35(57-40(49)44(7,8)9)36(58-41(50)45(10,11)12)37(55-33)46-21-20-27-23-31(52-14)32(53-15)24-29(27)30(46)22-26-16-18-28(51-13)19-17-26/h16-19,23-24,30,33-37H,20-22,25H2,1-15H3/t30-,33-,34+,35+,36-,37+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=C(C=C5)O)Cl)C(=O)N(C4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C31H20ClF6NO5/c1-12-6-23(41)26-21(27(12)42)11-20-17(24(26)18-3-2-16(40)10-22(18)32)4-5-19-25(20)29(44)39(28(19)43)15-8-13(30(33,34)35)7-14(9-15)31(36,37)38/h2-4,6-10,19-20,24-25,40H,5,11H2,1H3/t19-,20+,24+,25-/m0/s1
SMILES: CC(CC[C@@H]1[C@](OC(O1)(C)C)(C)[C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@]5([C@@]4(C[C@H]6[C@@H](C5)OC(O6)(C)C)C)O)C)O)CO
InChI: InChI=1S/C33H52O8/c1-19(18-34)9-10-26-31(8,41-28(4,5)40-26)24-12-14-32(36)21-15-25(35)33(37)17-23-22(38-27(2,3)39-23)16-30(33,7)20(21)11-13-29(24,32)6/h15,19-20,22-24,26,34,36-37H,9-14,16-18H2,1-8H3/t19?,20-,22-,23+,24-,26+,29+,30+,31-,32+,33+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3C[C@H]3[C@@H]4C[C@H]4CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C
InChI: InChI=1S/C40H50O2Si2/c1-39(2,3)43(33-19-11-7-12-20-33,34-21-13-8-14-22-34)41-29-31-27-37(31)38-28-32(38)30-42-44(40(4,5)6,35-23-15-9-16-24-35)36-25-17-10-18-26-36/h7-26,31-32,37-38H,27-30H2,1-6H3/t31-,32-,37+,38+/m0/s1
SMILES: C[C@@H]1C=C[C@H](N[C@H]1C(=O)OC(C)(C)C)COCC2=CC=CC=C2
InChI: InChI=1S/C19H27NO3/c1-14-10-11-16(13-22-12-15-8-6-5-7-9-15)20-17(14)18(21)23-19(2,3)4/h5-11,14,16-17,20H,12-13H2,1-4H3/t14-,16+,17-/m1/s1
SMILES: C[C@@H]1[C@@H]2CC3=CC(=C(C=C3[C@]1(CCN2CC=C(C)C)C)O)Br
InChI: InChI=1S/C19H26BrNO/c1-12(2)5-7-21-8-6-19(4)13(3)17(21)10-14-9-16(20)18(22)11-15(14)19/h5,9,11,13,17,22H,6-8,10H2,1-4H3/t13-,17+,19+/m1/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@@H]3[C@H](CC[C@@H]([C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C27H25NO2/c1-18-10-8-9-15-23(18)28-26(29)24-21(19-11-4-2-5-12-19)16-17-22(25(24)27(28)30)20-13-6-3-7-14-20/h2-15,21-22,24-25H,16-17H2,1H3/t21-,22-,24-,25+/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCCCCCCNC(=O)[C@H](CCC(=O)OC)NC(=O)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C32H46N2O13/c1-20-27(45-21(2)35)28(46-22(3)36)29(47-23(4)37)31(44-20)42-18-12-7-6-11-17-33-30(39)25(15-16-26(38)41-5)34-32(40)43-19-24-13-9-8-10-14-24/h8-10,13-14,20,25,27-29,31H,6-7,11-12,15-19H2,1-5H3,(H,33,39)(H,34,40)/t20-,25-,27+,28+,29-,31-/m0/s1
SMILES: CN1CC[C@H]2CC(CC[C@H]2C1)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI: InChI=1S/C20H30N2O4/c1-22-8-7-13-9-16(6-5-14(13)12-22)21-20(23)15-10-17(24-2)19(26-4)18(11-15)25-3/h10-11,13-14,16H,5-9,12H2,1-4H3,(H,21,23)/t13-,14-,16?/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](NC(=O)O1)C2=CC=C(C=C2)OC(=O)C
InChI: InChI=1S/C14H15NO6/c1-3-19-13(17)12-11(15-14(18)21-12)9-4-6-10(7-5-9)20-8(2)16/h4-7,11-12H,3H2,1-2H3,(H,15,18)/t11-,12+/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC(=O)NC5=C(C=C(C=C5)OC)OC)OCC=C)CCCCO)CCCCO)C(=O)OCCCl
InChI: InChI=1S/C44H60ClN3O11/c1-6-20-48(43(52)55-24-19-45)39-28-36(47-57-8-3)33-25-29(13-9-11-21-49)32(14-10-12-22-50)40-34-26-31(16-18-37(34)59-44(39,41(33)40)56-23-7-2)58-42(51)46-35-17-15-30(53-4)27-38(35)54-5/h7,15-18,25-27,29,32,39-41,49-50H,2,6,8-14,19-24,28H2,1,3-5H3,(H,46,51)/t29-,32+,39-,40+,41+,44+/m0/s1
SMILES: CC1(CC2=C([C@@H]([C@@H](O2)C3=CC=CC=C3)CO)C(=O)C1)C
InChI: InChI=1S/C17H20O3/c1-17(2)8-13(19)15-12(10-18)16(20-14(15)9-17)11-6-4-3-5-7-11/h3-7,12,16,18H,8-10H2,1-2H3/t12-,16-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=C(C7=CC=CC=C7C=C6)O)Cl)CBr)Cl
InChI: InChI=1S/C33H25BrCl2N2O6/c1-16(39)17-6-9-19(10-7-17)38-28(41)22-13-12-21-24(25(22)29(38)42)14-32(35)30(43)37(15-34)31(44)33(32,36)26(21)23-11-8-18-4-2-3-5-20(18)27(23)40/h2-12,22,24-26,40H,13-15H2,1H3/t22-,24+,25-,26+,32+,33-/m0/s1
SMILES: CCOC(=O)C[C@@H](C1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3)NCCCCCCCCCN[C@@H](CC(=O)OCC)C4[C@@H]([C@@H]5[C@H](O4)OC(O5)(C)C)OCC6=CC=CC=C6
InChI: InChI=1S/C47H70N2O12/c1-7-52-36(50)28-34(38-40(54-30-32-22-16-14-17-23-32)42-44(56-38)60-46(3,4)58-42)48-26-20-12-10-9-11-13-21-27-49-35(29-37(51)53-8-2)39-41(55-31-33-24-18-15-19-25-33)43-45(57-39)61-47(5,6)59-43/h14-19,22-25,34-35,38-45,48-49H,7-13,20-21,26-31H2,1-6H3/t34-,35-,38?,39?,40-,41-,42+,43+,44+,45+/m0/s1
SMILES: CC1=C2[C@H](/C(=C(/[C@H](C[C@@H](C(=C[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C(C(C3=CC=CC=C3)N(C)C)O)OC(=O)C)\C)/OC(=O)C)OC(=O)C
InChI: InChI=1S/C43H57NO15/c1-22-33(54-25(4)46)19-32-36(56-27(6)48)18-31(21-53-24(3)45)35(59-42(52)39(51)38(44(11)12)30-16-14-13-15-17-30)20-34(55-26(5)47)23(2)40(57-28(7)49)41(58-29(8)50)37(22)43(32,9)10/h13-18,32-36,38-39,41,51H,19-21H2,1-12H3/b31-18?,40-23-/t32-,33-,34-,35-,36-,38?,39?,41+/m0/s1
SMILES: CCC1[C@@]2(C(C(C(=O)C(CC([C@@H]([C@H](C([C@H](C(=O)O1)C)OC3CC(C([C@@H](O3)C)O)(C)OC)C)O[C@@H]4[C@H](C(C[C@@H](O4)C)N(C)C)O)(C)OCC#CC5=CC(=CN=C5)C6=CC=CS6)C)C)C(=C)CO2)C
InChI: InChI=1S/C52H76N2O12S/c1-15-40-52(11)42(30(3)28-61-52)32(5)43(55)29(2)24-51(10,60-20-16-18-36-23-37(27-53-26-36)39-19-17-21-67-39)47(66-49-44(56)38(54(12)13)22-31(4)62-49)33(6)45(34(7)48(58)64-40)65-41-25-50(9,59-14)46(57)35(8)63-41/h17,19,21,23,26-27,29,31-35,38,40-42,44-47,49,56-57H,3,15,20,22,24-25,28H2,1-2,4-14H3/t29?,31-,32?,33-,34+,35-,38?,40?,41?,42?,44-,45?,46?,47+,49+,50?,51?,52+/m0/s1
SMILES: CS(=O)(=O)O[C@@H]([C@H]1[C@H]([C@@H](CO1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)[C@H](CCN4C(=O)C5=CC=CC=C5C4=O)OCC6=CC=CC=C6
InChI: InChI=1S/C38H39NO9S/c1-49(42,43)48-35(36-34(46-25-29-17-9-4-10-18-29)33(26-47-36)45-24-28-15-7-3-8-16-28)32(44-23-27-13-5-2-6-14-27)21-22-39-37(40)30-19-11-12-20-31(30)38(39)41/h2-20,32-36H,21-26H2,1H3/t32-,33+,34-,35+,36+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(C/C(=N\O)/C(=O)C4(C)C)C
InChI: InChI=1S/C21H29NO3/c1-19(2)16-7-5-12-13-6-8-17(23)20(13,3)10-9-14(12)21(16,4)11-15(22-25)18(19)24/h7,12-14,25H,5-6,8-11H2,1-4H3/b22-15+/t12-,13-,14-,20-,21+/m0/s1
SMILES: COC(=O)CC[C@@]12[C@@H](CCCC1=O)N(C3=CC=CC=C23)CC4=CC=CC=C4
InChI: InChI=1S/C23H25NO3/c1-27-22(26)14-15-23-18-10-5-6-11-19(18)24(16-17-8-3-2-4-9-17)20(23)12-7-13-21(23)25/h2-6,8-11,20H,7,12-16H2,1H3/t20-,23-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H]([C@H](OC([C@@H]2OC(=O)C3=CC=CC=C3)O)COC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C36H40O18/c1-18(37)45-16-26-28(48-20(3)39)30(49-21(4)40)32(50-22(5)41)36(52-26)54-29-27(47-19(2)38)25(17-46-33(42)23-12-8-6-9-13-23)51-35(44)31(29)53-34(43)24-14-10-7-11-15-24/h6-15,25-32,35-36,44H,16-17H2,1-5H3/t25-,26-,27+,28+,29+,30+,31-,32-,35?,36-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2C(=O)C(=C(C(=N2)C)C)C#N
InChI: InChI=1S/C16H22N4O2/c1-10-6-4-5-7-14(10)18-15(21)9-20-16(22)13(8-17)11(2)12(3)19-20/h10,14H,4-7,9H2,1-3H3,(H,18,21)/t10-,14+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@@]([C@@H]2CCCCCC2=N1)(C(F)(F)F)O
InChI: InChI=1S/C14H21F3N2O3/c1-12(2,3)22-11(20)19-13(21,14(15,16)17)9-7-5-4-6-8-10(9)18-19/h9,21H,4-8H2,1-3H3/t9-,13-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C=C(N=N3)COC4=CC=CC=C4)[NH2+]CC5=CC=C(C=C5)C6=CC=CC=C6
InChI: InChI=1S/C28H28N4O3/c1-3-7-21(8-4-1)22-13-11-20(12-14-22)15-29-25-18-34-28-26(19-35-27(25)28)32-16-23(30-31-32)17-33-24-9-5-2-6-10-24/h1-14,16,25-29H,15,17-19H2/p+1/t25-,26-,27+,28+/m0/s1
SMILES: CCOC[C@H]1[C@H]2[C@@H]([C@@H]3[C@@H](O1)OC(O3)(C)C)OC(O2)(C)C
InChI: InChI=1S/C14H24O6/c1-6-15-7-8-9-10(18-13(2,3)17-9)11-12(16-8)20-14(4,5)19-11/h8-12H,6-7H2,1-5H3/t8-,9-,10-,11+,12-/m0/s1
SMILES: COC1=CC=CC=C1/C=C/C(=O)N2C[C@H]3[C@@]4(CC[C@H]([C@]3(C2)C(=O)OC)C5=CC=CC=C54)C6=CC=C(C=C6)Br
InChI: InChI=1S/C32H30BrNO4/c1-37-27-10-6-3-7-21(27)11-16-29(35)34-19-28-31(22-12-14-23(33)15-13-22)18-17-26(24-8-4-5-9-25(24)31)32(28,20-34)30(36)38-2/h3-16,26,28H,17-20H2,1-2H3/b16-11+/t26-,28-,31-,32-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4
InChI: InChI=1S/C20H23NO4/c22-19(21-11-3-5-14-4-1-2-6-17(14)21)13-24-16-9-7-15-8-10-20(23)25-18(15)12-16/h7-10,12,14,17H,1-6,11,13H2/t14-,17+/m1/s1
SMILES: CC(C)S(=O)(=O)NCCOC1=CC=C(C=C1)[C@@]2(CCCC[C@@H]2NS(=O)(=O)C(C)C)F
InChI: InChI=1S/C20H33FN2O5S2/c1-15(2)29(24,25)22-13-14-28-18-10-8-17(9-11-18)20(21)12-6-5-7-19(20)23-30(26,27)16(3)4/h8-11,15-16,19,22-23H,5-7,12-14H2,1-4H3/t19-,20+/m0/s1
SMILES: CCCOC(=O)[C@H]1[C@H]2C=C[C@]3([C@@H]1C(=O)N(C3)C4CCCC4)O2
InChI: InChI=1S/C17H23NO4/c1-2-9-21-16(20)13-12-7-8-17(22-12)10-18(15(19)14(13)17)11-5-3-4-6-11/h7-8,11-14H,2-6,9-10H2,1H3/t12-,13+,14+,17+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC=CC4)C
InChI: InChI=1S/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15-,16+,17+,18+,19+,20+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](C=C[C@@H]2[C@H]1CC[C@@H]2OCOCCOC)S(=O)C3=CC=CC=C3
InChI: InChI=1S/C26H42O5SSi/c1-26(2,3)33(5,6)31-25-18-21(32(27)20-10-8-7-9-11-20)12-13-22-23(25)14-15-24(22)30-19-29-17-16-28-4/h7-13,21-25H,14-19H2,1-6H3/t21-,22-,23-,24+,25+,32?/m1/s1
SMILES: C1[C@@H]([C@@]2(CC3=CC=CC=C3C2=O)N=N1)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C17H13ClN2O/c18-13-7-5-11(6-8-13)15-10-19-20-17(15)9-12-3-1-2-4-14(12)16(17)21/h1-8,15H,9-10H2/t15-,17-/m1/s1
SMILES: CC(C)C(=O)N(CCC1=CC(=CC=C1)F)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C29H36FIN2O7/c1-17(2)29(38)33(9-7-18-5-4-6-21(30)11-18)23-14-20(28(37)32-8-10-34)15-24(26(23)36)40-27-22(31)12-19(16-35)13-25(27)39-3/h4-6,11-13,15,17,23-24,26,34-36H,7-10,14,16H2,1-3H3,(H,32,37)/t23-,24+,26+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)CSC2=NN=C(N2CC(C)C)C3=CC=CC=C3F
InChI: InChI=1S/C22H31FN4OS/c1-14(2)12-27-21(17-9-5-6-10-18(17)23)25-26-22(27)29-13-20(28)24-19-11-7-8-15(3)16(19)4/h5-6,9-10,14-16,19H,7-8,11-13H2,1-4H3,(H,24,28)/t15-,16-,19+/m0/s1
SMILES: C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)[C@@]3([C@H]4C[C@@H]([C@H]3C5=CC=CC=C5)C=C4)C#N
InChI: InChI=1S/C25H29NO2/c1-23(2)18-11-12-24(23,3)20(14-18)28-22(27)25(15-26)19-10-9-17(13-19)21(25)16-7-5-4-6-8-16/h4-10,17-21H,11-14H2,1-3H3/t17-,18-,19+,20+,21+,24+,25+/m0/s1
SMILES: C[C@H]1[C@@H](N[C@@H]([C@@H](C1O)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H23NO/c1-13-17(15-9-5-3-6-10-15)20-18(14(2)19(13)21)16-11-7-4-8-12-16/h3-14,17-21H,1-2H3/t13-,14-,17-,18+,19?/m0/s1
SMILES: C[C@H]1C[C@]([C@@H](C[NH+]1C)C)(CC[NH2+]CC2=CC=C(C=C2)OC)CC3=CC=CC=C3
InChI: InChI=1S/C25H36N2O/c1-20-19-27(3)21(2)16-25(20,17-22-8-6-5-7-9-22)14-15-26-18-23-10-12-24(28-4)13-11-23/h5-13,20-21,26H,14-19H2,1-4H3/p+2/t20-,21+,25-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)I)O)OC)C(=O)N(C4=O)CCC6=CC=C(C=C6)O)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C36H33IN2O7/c1-36-26(33(43)39(35(36)45)21-6-4-3-5-7-21)18-25-23(30(36)20-16-27(37)31(41)28(17-20)46-2)12-13-24-29(25)34(44)38(32(24)42)15-14-19-8-10-22(40)11-9-19/h3-12,16-17,24-26,29-30,40-41H,13-15,18H2,1-2H3/t24-,25+,26-,29-,30-,36+/m0/s1
SMILES: CCCCCCl.CCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O.[Cf]
InChI: InChI=1S/C16H30O11.C5H11Cl.Cf/c1-2-3-4-24-15-13(23)11(21)14(8(6-18)26-15)27-16-12(22)10(20)9(19)7(5-17)25-16;1-2-3-4-5-6;/h7-23H,2-6H2,1H3;2-5H2,1H3;/t7-,8-,9-,10+,11-,12-,13-,14-,15-,16-;;/m1../s1
SMILES: C[C@H]1[C@H]2[C@H]3[C@@H]4[C@@H](CC=C3CO2)CO[C@@H]4O1
InChI: InChI=1S/C12H16O3/c1-6-11-9-7(4-13-11)2-3-8-5-14-12(15-6)10(8)9/h2,6,8-12H,3-5H2,1H3/t6-,8-,9+,10-,11-,12+/m0/s1
SMILES: B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)[C@@H]4CC[C@@]4(CCO[Si](C)(C)C(C)(C)C)C#N
InChI: InChI=1S/C27H48BNO3Si/c1-26(2,3)33(4,5)30-19-18-27(20-29)17-16-23(27)28-31-24(21-12-8-6-9-13-21)25(32-28)22-14-10-7-11-15-22/h21-25H,6-19H2,1-5H3/t23-,24-,25-,27-/m1/s1
SMILES: C1=CC(=CC=C1CCCCNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)S(=O)(=O)[O-].[NH4+]
InChI: InChI=1S/C20H25N5O7S.H3N/c26-9-14-16(27)17(28)20(32-14)25-11-24-15-18(22-10-23-19(15)25)21-8-2-1-3-12-4-6-13(7-5-12)33(29,30)31;/h4-7,10-11,14,16-17,20,26-28H,1-3,8-9H2,(H,21,22,23)(H,29,30,31);1H3/t14-,16-,17-,20-;/m1./s1
SMILES: CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)NCCO)O)O)N3C=CC(=O)NC3=O)O
InChI: InChI=1S/C19H26N4O12/c1-32-12-11(28)17(23-4-2-9(26)22-19(23)31)34-13(12)14(15(20)29)35-18-10(27)7(25)6-8(33-18)16(30)21-3-5-24/h2,4,6-7,10-14,17-18,24-25,27-28H,3,5H2,1H3,(H2,20,29)(H,21,30)(H,22,26,31)/t7-,10-,11+,12-,13-,14+,17+,18+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1CNC3=C2C=C(C4=CC=CC=C43)[N+](=O)[O-]
InChI: InChI=1S/C16H14N2O2/c19-18(20)15-8-14-11-7-3-4-10(11)9-17-16(14)13-6-2-1-5-12(13)15/h1-3,5-8,10-11,17H,4,9H2/t10-,11-/m0/s1
SMILES: C[C@@H](C1=CC(=C(C=C1)OC)F)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H25FN2O4/c1-12(13-7-8-17(27-2)16(21)11-13)22-18(24)9-10-23-19(25)14-5-3-4-6-15(14)20(23)26/h7-8,11-12,14-15H,3-6,9-10H2,1-2H3,(H,22,24)/t12-,14-,15-/m0/s1
SMILES: CCCC[C@]1(C(=O)N(C(=O)N1)CC(=O)N[C@@H]2CCCC[C@@H]2C)C3=CC=C(C=C3)F
InChI: InChI=1S/C22H30FN3O3/c1-3-4-13-22(16-9-11-17(23)12-10-16)20(28)26(21(29)25-22)14-19(27)24-18-8-6-5-7-15(18)2/h9-12,15,18H,3-8,13-14H2,1-2H3,(H,24,27)(H,25,29)/t15-,18+,22+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@@](C3)(OO4)C)OCCOC5=CC=CC=C5C6=CC=CC=C6)C
InChI: InChI=1S/C30H38O5/c1-20-13-14-25-21(2)28(33-27-19-29(3)16-15-24(20)30(25,27)35-34-29)32-18-17-31-26-12-8-7-11-23(26)22-9-5-4-6-10-22/h4-12,20-21,24-25,27-28H,13-19H2,1-3H3/t20-,21-,24+,25+,27-,28-,29+,30-/m1/s1
SMILES: C1[C@H]([C@H]([C@H](O[C@@H]1OC2=CC(=C3C(=C2)O[C@@H]([C@H](C3=O)O)C4=CC=C(C=C4)O)O)CO)O)O
InChI: InChI=1S/C21H22O10/c22-8-15-18(26)13(25)7-16(30-15)29-11-5-12(24)17-14(6-11)31-21(20(28)19(17)27)9-1-3-10(23)4-2-9/h1-6,13,15-16,18,20-26,28H,7-8H2/t13-,15-,16+,18-,20+,21-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3C
InChI: InChI=1S/C18H23N3O3/c1-12-7-3-4-9-14(12)19-15(22)11-21-16(23)18(20-17(21)24)10-6-5-8-13(18)2/h3-4,7,9,13H,5-6,8,10-11H2,1-2H3,(H,19,22)(H,20,24)/t13-,18+/m0/s1
SMILES: C1C[C@H]2[C@H](C[C@@H]1O2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C12H13NO6S/c14-13(15)8-1-4-10(5-2-8)20(16,17)19-12-7-9-3-6-11(12)18-9/h1-2,4-5,9,11-12H,3,6-7H2/t9-,11+,12+/m1/s1