EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC1=CC=CC2=C1O[C@H]3[C@@H]([C@@H]2NC4=CC=C(C=C4)Cl)CCO3
InChI: InChI=1S/C19H20ClNO3/c1-2-22-16-5-3-4-14-17(21-13-8-6-12(20)7-9-13)15-10-11-23-19(15)24-18(14)16/h3-9,15,17,19,21H,2,10-11H2,1H3/t15-,17-,19+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H18N2O6/c20-15(25-12-7-5-11(6-8-12)19(23)24)9-10-18-16(21)13-3-1-2-4-14(13)17(18)22/h5-8,13-14H,1-4,9-10H2/t13-,14-/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1C[C@@H](C2=C([C@H]1C)C=C(C(=C2)C)O)C(C)C
InChI: InChI=1S/C20H28O3/c1-7-12(4)20(22)23-19-10-15(11(2)3)17-8-13(5)18(21)9-16(17)14(19)6/h7-9,11,14-15,19,21H,10H2,1-6H3/b12-7-/t14-,15-,19+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1C[C@@H]2[C@]3([C@@]1(CCCC3=O)C)O2
InChI: InChI=1S/C18H30O2/c1-12(2)7-5-8-13(3)14-11-16-18(20-16)15(19)9-6-10-17(14,18)4/h12-14,16H,5-11H2,1-4H3/t13-,14-,16-,17-,18-/m1/s1
SMILES: C1=CC=C(C=C1)C2=C3C4=CC=CC=C4[C@]5([C@@]3([C@@H](O2)C6=CC=CC=C65)C(=O)C7=CC=CC=C7)[N+](=O)[O-]
InChI: InChI=1S/C30H19NO4/c32-27(20-13-5-2-6-14-20)29-25-21-15-7-9-17-23(21)30(29,31(33)34)24-18-10-8-16-22(24)28(29)35-26(25)19-11-3-1-4-12-19/h1-18,28H/t28-,29+,30-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C22H22N2O5/c25-19(23-16-10-9-14-5-1-2-6-15(14)11-16)13-29-20(26)12-24-21(27)17-7-3-4-8-18(17)22(24)28/h1-2,5-6,9-11,17-18H,3-4,7-8,12-13H2,(H,23,25)/t17-,18-/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](N[C@@H]([C@H](C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H25NO/c31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30-28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22/h1-20,25-28,30H/t25-,26+,27-,28+
SMILES: C[C@H]1COCC2(C(O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)Cl
InChI: InChI=1S/C25H36ClNO7S/c1-13(7-17-11-35-16(4)27-17)18-8-20-25(26,34-20)12-32-10-14(2)22(30)15(3)23(31)24(5,6)19(28)9-21(29)33-18/h7,11,14-15,18-20,22,28,30H,8-10,12H2,1-6H3/b13-7+/t14-,15+,18-,19-,20?,22-,25?/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]([C@H]2[C@H](OC(O2)(C)C)C(CC#C)O)O)C
InChI: InChI=1S/C15H24O6/c1-6-7-9(16)12-13(21-15(4,5)20-12)11(17)10-8-18-14(2,3)19-10/h1,9-13,16-17H,7-8H2,2-5H3/t9?,10-,11-,12-,13+/m1/s1
SMILES: CC(=O)O[C@H](CBr)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)N=[N+]=[N-]
InChI: InChI=1S/C11H16BrN3O5/c1-5(16)17-6(4-12)8-7(14-15-13)9-10(18-8)20-11(2,3)19-9/h6-10H,4H2,1-3H3/t6-,7+,8-,9-,10-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)OCC(=O)NCC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C18H21Cl2NO3/c19-15-4-3-13(16(20)8-15)9-21-17(22)10-24-18(23)7-14-6-11-1-2-12(14)5-11/h3-4,8,11-12,14H,1-2,5-7,9-10H2,(H,21,22)/t11-,12+,14-/m0/s1
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C18H20N2O4/c1-11-7-8-15(24-2)14(9-11)19-16(21)10-20-17(22)12-5-3-4-6-13(12)18(20)23/h3-4,7-9,12-13H,5-6,10H2,1-2H3,(H,19,21)/t12-,13-/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(O6)CO)C)C7=CC=CC=C7
InChI: InChI=1S/C34H32N2O6/c1-3-19-9-11-21(12-10-19)35-30(38)24-15-14-23-25(28(24)32(35)40)17-26-31(39)36(20-7-5-4-6-8-20)33(41)34(26,2)29(23)27-16-13-22(18-37)42-27/h4-14,16,24-26,28-29,37H,3,15,17-18H2,1-2H3/t24-,25+,26-,28-,29+,34+/m0/s1
SMILES: C[C@@H]1C[NH+]([C@@H]([C@@H]([C@@]12C(=O)NC(=O)N2)C)C3=CC=CC=C3)C
InChI: InChI=1S/C16H21N3O2/c1-10-9-19(3)13(12-7-5-4-6-8-12)11(2)16(10)14(20)17-15(21)18-16/h4-8,10-11,13H,9H2,1-3H3,(H2,17,18,20,21)/p+1/t10-,11+,13+,16-/m1/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CCC2=C(CCC[C@]12C)C3=CC(=C(S3)CO)CO
InChI: InChI=1S/C24H38O3S/c1-16(7-5-11-23(2,3)27)19-9-10-20-18(8-6-12-24(19,20)4)21-13-17(14-25)22(15-26)28-21/h13,16,19,25-27H,5-12,14-15H2,1-4H3/t16-,19-,24-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC4=CC=CC=C43)C(=O)N[C@H](C)C5=CC=CC=C5)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=C(S7)C)C
InChI: InChI=1S/C48H54N2O4S/c1-32-12-11-26-47(4)43(41-23-21-35(28-39(51)22-19-32)29-42(41)45(52)44-24-20-33(2)55-44)25-27-48(47,54)31-50(46(53)49-34(3)36-13-6-5-7-14-36)30-38-17-10-16-37-15-8-9-18-40(37)38/h5-10,12-18,20-21,23-24,29,34,39,43,51,54H,11,19,22,25-28,30-31H2,1-4H3,(H,49,53)/t34-,39+,43+,47+,48-/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H](O[C@H]2[C@H]1O[C@@H](OC2)C3=CC=CC=C3)[C@@H](C4=CC=CC=C4)OCOCC[Si](C)(C)C)O
InChI: InChI=1S/C27H38O7Si/c1-29-25-22(28)26(33-21-17-31-27(34-24(21)25)20-13-9-6-10-14-20)23(19-11-7-5-8-12-19)32-18-30-15-16-35(2,3)4/h5-14,21-28H,15-18H2,1-4H3/t21-,22+,23-,24-,25+,26+,27-/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H](N(C(=O)N2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5)C=CC7=CC=CC=C7)O
InChI: InChI=1S/C41H36N2O2/c44-40-38(24-21-30-11-3-1-4-12-30)42(28-32-19-22-34-15-7-9-17-36(34)25-32)41(45)43(39(40)27-31-13-5-2-6-14-31)29-33-20-23-35-16-8-10-18-37(35)26-33/h1-26,38-40,44H,27-29H2/t38-,39-,40-/m1/s1
SMILES: C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@H](CC3=CC=CC=C3)C(=O)[O-].C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@H](CC3=CC=CC=C3)C(=O)[O-].[Ca+2]
InChI: InChI=1S/2C19H25NO3.Ca/c2*21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14;/h2*1-3,6-7,15-17H,4-5,8-13H2,(H,22,23);/q;;+2/p-2/t2*15-,16+,17-;/m00./s1
SMILES: C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5(C(CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
InChI: InChI=1S/C35H54O15/c1-16-29(50-31-27(42)25(40)24(39)22(13-36)49-31)26(41)28(43)30(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,16,18-22,24-31,36-37,39-45H,3-10,12-15H2,1-2H3/t16-,18+,19?,20?,21?,22-,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H](C(=O)[C@H](O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C21H24O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(23)17(12-22)27-21)25-13-15-8-4-2-5-9-15/h2-11,17,19-22H,12-14H2,1H3/t17-,19+,20-,21+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]([C@]23[C@@]1([C@H]([C@@H]([C@H]([C@H]2OC(=O)C)C(O3)(C)C)OC(=O)C4=CN=CC=C4)OC(=O)C5=CC=CC=C5)CCCCC(=O)OC)(C)O
InChI: InChI=1S/C37H45NO12/c1-22(39)46-26-17-19-35(5,44)37-30(47-23(2)40)28(34(3,4)50-37)29(48-33(43)25-15-12-20-38-21-25)31(49-32(42)24-13-8-7-9-14-24)36(26,37)18-11-10-16-27(41)45-6/h7-9,12-15,20-21,26,28-31,44H,10-11,16-19H2,1-6H3/t26-,28+,29+,30+,31-,35-,36-,37-/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)CNS(=O)(=O)C5=CC=CC=C5)CN6CCC7=CC(=C(C=C7C6)OC)OC
InChI: InChI=1S/C43H46N2O7S/c1-29-41(27-45-21-20-36-23-39(49-2)40(50-3)24-37(36)26-45)51-43(52-42(29)33-14-12-30(28-46)13-15-33)34-18-16-32(17-19-34)35-9-7-8-31(22-35)25-44-53(47,48)38-10-5-4-6-11-38/h4-19,22-24,29,41-44,46H,20-21,25-28H2,1-3H3/t29-,41+,42+,43+/m0/s1
SMILES: CO[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC3=C(C=C4C(=C3)N=CN=C4NC5=C(C(=C(C=C5)Br)Cl)Cl)OC
InChI: InChI=1S/C22H20BrCl2N3O5/c1-29-14-5-10-13(6-15(14)33-17-8-32-20-16(30-2)7-31-21(17)20)26-9-27-22(10)28-12-4-3-11(23)18(24)19(12)25/h3-6,9,16-17,20-21H,7-8H2,1-2H3,(H,26,27,28)/t16-,17-,20+,21+/m0/s1
SMILES: CC(=CCC[C@@]1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@@]45C6C[C@@H](C(C4C3=O)N7CCN(CC7)C8=CC=CC=N8)C(=O)[C@@]5(OC6(C)C)C/C=C/C(=O)N9CCN(CC9)C)O)C)C
InChI: InChI=1S/C51H65N5O7/c1-32(2)13-11-19-49(7)21-18-34-43(58)40-44(59)41-42(56-29-27-54(28-30-56)38-14-9-10-22-52-38)36-31-37-48(5,6)63-50(47(36)60,20-12-15-39(57)55-25-23-53(8)24-26-55)51(37,41)62-46(40)35(45(34)61-49)17-16-33(3)4/h9-10,12-16,18,21-22,36-37,41-42,58H,11,17,19-20,23-31H2,1-8H3/b15-12+/t36-,37?,41?,42?,49+,50-,51-/m0/s1
SMILES: CN1C[C@H]2[C@H](/[N+](=C(/N)\SC)/N=C2/C(=C/C3=CC=CC=C3)/C1)C4=CC=CC=C4
InChI: InChI=1S/C22H24N4S/c1-25-14-18(13-16-9-5-3-6-10-16)20-19(15-25)21(17-11-7-4-8-12-17)26(24-20)22(23)27-2/h3-13,19,21,23H,14-15H2,1-2H3/p+1/b18-13+/t19-,21-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]([C@H]1C[C@@H]2CCN1C[C@@]2(C3=CC=CC=C3)O)C4=C5C=C(C=CC5=NC=C4)OC
InChI: InChI=1S/C30H40N2O3Si/c1-29(2,3)36(5,6)35-28(24-14-16-31-26-13-12-23(34-4)19-25(24)26)27-18-22-15-17-32(27)20-30(22,33)21-10-8-7-9-11-21/h7-14,16,19,22,27-28,33H,15,17-18,20H2,1-6H3/t22-,27+,28-,30-/m0/s1
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3CC2C(=O)O
InChI: InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20?/m0/s1
SMILES: COC1=CC=C(C=C1)CC(=O)N2[C@]([C@H]3CCCCCC3=N2)(C(F)(F)F)O
InChI: InChI=1S/C18H21F3N2O3/c1-26-13-9-7-12(8-10-13)11-16(24)23-17(25,18(19,20)21)14-5-3-2-4-6-15(14)22-23/h7-10,14,25H,2-6,11H2,1H3/t14-,17-/m0/s1
SMILES: CCC[C@H]1[C@@H]([C@]23C=C[C@H](O2)C[C@@H]3S(=O)(=O)O1)C
InChI: InChI=1S/C12H18O4S/c1-3-4-10-8(2)12-6-5-9(15-12)7-11(12)17(13,14)16-10/h5-6,8-11H,3-4,7H2,1-2H3/t8-,9-,10-,11-,12-/m0/s1
SMILES: C[C@@H]1[C@H]2C[C@H]([C@@H]3[C@@]4([C@@H](CCC([C@@H]4C[C@@H]5[C@@]3([C@@H]2OC(O5)(C)C)C1=O)(C)C)O)C)O
InChI: InChI=1S/C23H36O5/c1-11-12-9-13(24)17-22(6)14(20(2,3)8-7-15(22)25)10-16-23(17,18(11)26)19(12)28-21(4,5)27-16/h11-17,19,24-25H,7-10H2,1-6H3/t11-,12-,13-,14+,15-,16-,17-,19-,22+,23+/m1/s1
SMILES: CC(=O)O[C@@H]1C(=O)C23C[C@H](CC[C@H]2[C@@]([C@H]4[C@]1(C([C@@H]5[C@H]4O5)(C)C)O)(C)O)[C@](C3)(C)O
InChI: InChI=1S/C22H32O7/c1-10(23)28-17-15(24)21-8-11(19(4,25)9-21)6-7-12(21)20(5,26)14-13-16(29-13)18(2,3)22(14,17)27/h11-14,16-17,25-27H,6-9H2,1-5H3/t11-,12-,13-,14-,16-,17+,19+,20+,21?,22-/m0/s1
SMILES: CC(C)CCCCCCCCCCCCC(=O)NCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[C@H](CO)O)NC2=NC=NC3=C2NC=N3)O)O
InChI: InChI=1S/C30H51N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h17-20,23,25-27,30,38-39,42-43H,3-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37)/t20-,23+,25+,26-,27-,30-/m0/s1
SMILES: CC1=NN(C2=NC(=C(C=C12)[C@@H]3[C@H](C(=C)NC(=O)N3)C(=O)OC)Cl)C4=CC=CC=C4
InChI: InChI=1S/C20H18ClN5O3/c1-10-13-9-14(16-15(19(27)29-3)11(2)22-20(28)23-16)17(21)24-18(13)26(25-10)12-7-5-4-6-8-12/h4-9,15-16H,2H2,1,3H3,(H2,22,23,28)/t15-,16+/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)COP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)CNC(=O)OC(C)(C)C)C
InChI: InChI=1S/C26H36NO8P/c1-25(2,3)35-24(28)27-16-22-23(34-26(4,5)33-22)19-32-36(29,30-17-20-12-8-6-9-13-20)31-18-21-14-10-7-11-15-21/h6-15,22-23H,16-19H2,1-5H3,(H,27,28)/t22-,23-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CCC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C21H31NO5/c1-14-6-5-7-17(15(14)2)22-20(23)13-27-21(24)11-9-16-8-10-18(25-3)19(12-16)26-4/h8,10,12,14-15,17H,5-7,9,11,13H2,1-4H3,(H,22,23)/t14-,15-,17+/m1/s1
SMILES: C[C@H]1CN(C[C@@H]2[C@@H]1C[C@@H]([C@H]2C)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI: InChI=1S/C27H39NOSi/c1-20-18-28(6)19-25-21(2)26(17-24(20)25)29-30(27(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,24-26H,17-19H2,1-6H3/t20-,21-,24+,25-,26-/m0/s1
SMILES: CCCCCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@@H]2N3CCCCC3
InChI: InChI=1S/C24H38N2O3/c1-2-3-4-10-18-28-21-13-11-12-20(19-21)25-24(27)29-23-15-7-6-14-22(23)26-16-8-5-9-17-26/h11-13,19,22-23H,2-10,14-18H2,1H3,(H,25,27)/t22-,23-/m0/s1
SMILES: CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@@H](C)OC(=O)[C@@H]3C[C@@H]3C)C
InChI: InChI=1S/C17H20N2O5S/c1-5-23-17(22)12-8(3)11-14(20)18-13(19-15(11)25-12)9(4)24-16(21)10-6-7(10)2/h7,9-10H,5-6H2,1-4H3,(H,18,19,20)/t7-,9+,10+/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2[C@H](C(=O)N(C2=O)CC3=CC=CC=C3Cl)[C@]4(N1)C5=C(C(=CC=C5)Cl)NC4=O)O
InChI: InChI=1S/C22H19Cl2N3O4/c1-10(28)17-15-16(20(30)27(19(15)29)9-11-5-2-3-7-13(11)23)22(26-17)12-6-4-8-14(24)18(12)25-21(22)31/h2-8,10,15-17,26,28H,9H2,1H3,(H,25,31)/t10-,15+,16-,17-,22-/m1/s1
SMILES: C1C[C@@H]2C=C(CN([C@@H]2C1)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H23NO2S/c23-25(24,19-11-5-2-6-12-19)20-14-18-10-7-13-21(18)22(16-20)15-17-8-3-1-4-9-17/h1-6,8-9,11-12,14,18,21H,7,10,13,15-16H2/t18-,21-/m1/s1
SMILES: CC(C)[C@H]1[C@H]2[C@@H]3CCC(=C)[C@@]3(C(=O)[C@@H]1O[C@H]2OOC(=O)C4=CC(=CC=C4)Cl)C
InChI: InChI=1S/C22H25ClO5/c1-11(2)16-17-15-9-8-12(3)22(15,4)19(24)18(16)26-21(17)28-27-20(25)13-6-5-7-14(23)10-13/h5-7,10-11,15-18,21H,3,8-9H2,1-2,4H3/t15-,16-,17+,18+,21-,22-/m0/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC(C)(C)C)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(C)C(=O)OCC6=CC=CC=C6)OCC=C
InChI: InChI=1S/C47H61N3O8/c1-7-26-56-47-42(50(6)45(53)55-30-33-17-9-8-10-18-33)29-40(49-58-46(3,4)5)38-27-34(19-11-13-24-51)37(21-12-14-25-52)43(44(38)47)39-28-36(22-23-41(39)57-47)54-31-35-20-15-16-32(2)48-35/h7-10,15-18,20,22-23,27-28,34,37,42-44,51-52H,1,11-14,19,21,24-26,29-31H2,2-6H3/t34-,37+,42-,43+,44+,47+/m0/s1
SMILES: C/1CC(=O)O[C@H]([C@H]([C@@H](/C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4
InChI: InChI=1S/C30H32O5/c31-29-19-11-10-18-27(33-21-25-14-6-2-7-15-25)30(34-22-26-16-8-3-9-17-26)28(35-29)23-32-20-24-12-4-1-5-13-24/h1-10,12-18,27-28,30H,11,19-23H2/b18-10-/t27-,28+,30+/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC3=CC(=O)OC4=C3C=CC(=C4C)C
InChI: InChI=1S/C21H24N2O4/c1-12-7-8-16-15(10-17(24)27-18(16)14(12)3)11-23-19(25)21(22-20(23)26)9-5-4-6-13(21)2/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,22,26)/t13-,21+/m1/s1
SMILES: CC1=CC(=CC=C1)NC(=O)[C@H]2[C@@H]3[C@@H]4CCCC[C@]4(NC2=O)OC5=CC=CC=C35
InChI: InChI=1S/C23H24N2O3/c1-14-7-6-8-15(13-14)24-21(26)20-19-16-9-2-3-11-18(16)28-23(25-22(20)27)12-5-4-10-17(19)23/h2-3,6-9,11,13,17,19-20H,4-5,10,12H2,1H3,(H,24,26)(H,25,27)/t17-,19-,20+,23-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@H]3CCCO3)S(=O)(=O)C4=CC=CS4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC7=CC=CC=C7S6)C
InChI: InChI=1S/C40H47NO6S3/c1-27-8-5-18-39(2)34(17-19-40(39,44)26-41(25-31-10-6-20-47-31)50(45,46)37-12-7-21-48-37)32-16-14-28(22-30(42)15-13-27)23-33(32)38(43)36-24-29-9-3-4-11-35(29)49-36/h3-4,7-9,11-12,14,16,21,23-24,30-31,34,42,44H,5-6,10,13,15,17-20,22,25-26H2,1-2H3/t30-,31+,34-,39-,40+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C(=NN=N3)C4=CC5=C(C=C4)OCO5)NC(=S)NC6=CC=C(C=C6)F
InChI: InChI=1S/C21H19FN6O4S/c22-12-2-4-13(5-3-12)23-21(33)24-14-8-29-19-15(9-30-18(14)19)28-20(25-26-27-28)11-1-6-16-17(7-11)32-10-31-16/h1-7,14-15,18-19H,8-10H2,(H2,23,24,33)/t14-,15-,18+,19+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C/C(=C/N(CCCl)CCCl)/C(=O)C4)C)C
InChI: InChI=1S/C26H39Cl2NO3/c1-17(30)32-24-7-6-21-20-5-4-19-14-23(31)18(16-29(12-10-27)13-11-28)15-26(19,3)22(20)8-9-25(21,24)2/h16,19-22,24H,4-15H2,1-3H3/b18-16-/t19-,20-,21-,22-,24-,25-,26-/m0/s1
SMILES: C1=CC=C(C=C1)COC(=O)[C@H](CC2=C(S[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3O2)CO)O)O)C(=O)O)NC(=O)CC4=CC=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C33H33NO10S/c35-17-25-27(37)28(38)30-33(44-25)43-24(29(45-30)31(39)40)16-23(32(41)42-18-20-7-3-1-4-8-20)34-26(36)15-19-11-13-22(14-12-19)21-9-5-2-6-10-21/h1-14,23,25,27-28,30,33,35,37-38H,15-18H2,(H,34,36)(H,39,40)/t23-,25+,27+,28-,30+,33-/m0/s1
SMILES: C1CC(OC1)N2C(=O)C(=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)CO)OCC4=CC=CC=C4)F
InChI: InChI=1S/C20H23FN2O6/c21-14-10-22(20(26)23(19(14)25)17-7-4-8-27-17)18-9-15(16(11-24)29-18)28-12-13-5-2-1-3-6-13/h1-3,5-6,10,15-18,24H,4,7-9,11-12H2/t15-,16+,17?,18+/m0/s1
SMILES: COC1=C2C3=C(C[C@@H]4C5([C@]3(CCN4CC=C)[C@@H](O2)C(=O)CC5)O)C=C1
InChI: InChI=1S/C20H23NO4/c1-3-9-21-10-8-19-16-12-4-5-14(24-2)17(16)25-18(19)13(22)6-7-20(19,23)15(21)11-12/h3-5,15,18,23H,1,6-11H2,2H3/t15-,18+,19+,20?/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O.[Na+].[Na+]
InChI: InChI=1S/C16H26N2O17P2.2Na/c19-3-6-10(21)13(24)11(22)7(33-6)4-31-36(27,28)35-37(29,30)32-5-8-12(23)14(25)15(34-8)18-2-1-9(20)17-16(18)26;;/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26);;/q;2*+1/p-2/t6-,7+,8-,10+,11+,12-,13+,14-,15-;;/m1../s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)NC(=O)C)C)C
InChI: InChI=1S/C56H79NO6/c1-38(2)17-16-18-39(3)47-27-28-48-46-26-25-44-33-45(29-31-55(44,5)49(46)30-32-56(47,48)6)62-54-51(57-40(4)58)53(61-36-43-23-14-9-15-24-43)52(60-35-42-21-12-8-13-22-42)50(63-54)37-59-34-41-19-10-7-11-20-41/h7-15,19-24,38-39,44-54H,16-18,25-37H2,1-6H3,(H,57,58)/t39-,44+,45+,46+,47-,48+,49+,50-,51+,52-,53-,54+,55+,56-/m1/s1
SMILES: CC1=C(OC2=CC=CC=C12)C(=O)N/N=C/3\CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C20H24N2O2/c1-13-17-8-4-5-9-18(17)24-19(13)20(23)22-21-16-11-10-14-6-2-3-7-15(14)12-16/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3,(H,22,23)/b21-16+/t14-,15+/m0/s1
SMILES: CCS(=O)(=O)NC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=C(SC=C2)C)O)O)O
InChI: InChI=1S/C24H37NO6S2/c1-3-33(30,31)25-24(29)9-7-5-4-6-8-20-21(23(28)16-22(20)27)13-12-19(26)11-10-18-14-15-32-17(18)2/h4,6,12-15,19-23,26-28H,3,5,7-11,16H2,1-2H3,(H,25,29)/b6-4-,13-12+/t19-,20+,21+,22-,23+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)S[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)OC(=O)C
InChI: InChI=1S/C27H38O17S/c1-11(28)36-9-18-21(39-14(4)31)23(41-16(6)33)25(26(35-8)43-18)45-27-24(42-17(7)34)22(40-15(5)32)20(38-13(3)30)19(44-27)10-37-12(2)29/h18-27H,9-10H2,1-8H3/t18-,19-,20-,21-,22+,23+,24-,25-,26+,27+/m1/s1
SMILES: CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)COC4=CC=C(C=C4)F)SC2)C(=O)O
InChI: InChI=1S/C19H17FN4O5S3/c1-9-22-23-19(32-9)31-8-10-7-30-17-14(16(26)24(17)15(10)18(27)28)21-13(25)6-29-12-4-2-11(20)3-5-12/h2-5,14,17H,6-8H2,1H3,(H,21,25)(H,27,28)/t14-,17-/m1/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@@H]3CN4CCN(CC4)C5=C(C=C(C=C5)C)C
InChI: InChI=1S/C27H38N2O2/c1-18-7-8-24(20(3)14-18)29-12-10-28(11-13-29)17-22-21-15-23-19(2)6-5-9-27(23,4)16-25(21)31-26(22)30/h7-8,14,21-22,25H,5-6,9-13,15-17H2,1-4H3/t21-,22-,25-,27-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)[Si](C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H28O9Si/c1-9(18)22-8-13-14(23-10(2)19)15(24-11(3)20)16(25-12(4)21)17(26-13)27(5,6)7/h13-17H,8H2,1-7H3/t13-,14-,15+,16-,17-/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\OCC3=CC(=O)C(=CN3O)O)/C4=CSC(=N4)N)C(=O)O)CSC5=NNN=C5
InChI: InChI=1S/C21H19N9O8S3/c22-21-24-10(7-41-21)14(27-38-4-9-1-11(31)12(32)3-29(9)37)17(33)25-15-18(34)30-16(20(35)36)8(6-40-19(15)30)5-39-13-2-23-28-26-13/h1-3,7,15,19,32,37H,4-6H2,(H2,22,24)(H,25,33)(H,35,36)(H,23,26,28)/b27-14-/t15-,19-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](N1C)[C@@H]2CCCOC2)C3=CC=CC=C3
InChI: InChI=1S/C16H23NO2/c1-12-15(13-7-4-3-5-8-13)19-16(17(12)2)14-9-6-10-18-11-14/h3-5,7-8,12,14-16H,6,9-11H2,1-2H3/t12-,14-,15-,16-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2OC4CCCCO4)CC=C)CCC5=C3C=CC(=C5)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H50O3Si/c1-8-11-23-21-28-27-15-13-22-20-24(35-36(6,7)31(2,3)4)14-16-25(22)26(27)17-18-32(28,5)30(23)34-29-12-9-10-19-33-29/h8,14,16,20,23,26-30H,1,9-13,15,17-19,21H2,2-7H3/t23-,26+,27+,28-,29?,30-,32-/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@](O1)([C@](C(=O)O2)(C(C3=CC=CC=C3)C([N+](=O)[O-])Br)O)O)O
InChI: InChI=1S/C14H14BrNO8/c15-11(16(21)22)9(7-4-2-1-3-5-7)13(19)12(18)24-10-8(17)6-23-14(10,13)20/h1-5,8-11,17,19-20H,6H2/t8-,9?,10+,11?,13+,14-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@]14C[C@H]4[C@@H](C2=O)F)CCC5=CC(=C(C=C35)CCC6=CC=CC=C6)O
InChI: InChI=1S/C27H29FO2/c1-26-12-11-19-20-13-18(8-7-16-5-3-2-4-6-16)23(29)14-17(20)9-10-21(19)27(26)15-22(27)24(28)25(26)30/h2-6,13-14,19,21-22,24,29H,7-12,15H2,1H3/t19-,21-,22+,24+,26-,27-/m1/s1
SMILES: C[C@@H]([C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)C)C(=O)CCC(C)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C35H54O10/c1-18(17-43-33-32(42)31(41)30(40)28(16-36)45-33)6-9-26(39)19(2)29-27(44-20(3)37)15-25-23-8-7-21-14-22(38)10-12-34(21,4)24(23)11-13-35(25,29)5/h14,18-19,23-25,27-33,36,40-42H,6-13,15-17H2,1-5H3/t18?,19-,23-,24+,25+,27-,28-,29+,30-,31+,32-,33-,34+,35+/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-]
InChI: InChI=1S/C9H13IN5O13P3/c10-4-2-15(9(17)12-8(4)16)7-1-5(13-14-11)6(26-7)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h2,5-7H,1,3H2,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t5-,6+,7+/m0/s1
SMILES: CCO[C@@]1([C@@](C(=C)C2(O1)CCCCC2)(C#CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(C(F)(F)F)(F)F
InChI: InChI=1S/C28H27F5O4S/c1-3-36-27(26(29,30)28(31,32)33)25(20-17-22-13-7-4-8-14-22,38(34,35)23-15-9-5-10-16-23)21(2)24(37-27)18-11-6-12-19-24/h4-5,7-10,13-16H,2-3,6,11-12,18-19H2,1H3/t25-,27+/m0/s1
SMILES: CC(C)(C=C)[C@@H]1C[C@H](OC(=O)[C@H]1CC=C)C2=COC=C2
InChI: InChI=1S/C17H22O3/c1-5-7-13-14(17(3,4)6-2)10-15(20-16(13)18)12-8-9-19-11-12/h5-6,8-9,11,13-15H,1-2,7,10H2,3-4H3/t13-,14+,15-/m0/s1
SMILES: C[C@@]12[C@@H](CC([C@@H]1N(C3=CC=CC=C23)C)(C(=O)OC)C(=O)OC)C=C
InChI: InChI=1S/C19H23NO4/c1-6-12-11-19(16(21)23-4,17(22)24-5)15-18(12,2)13-9-7-8-10-14(13)20(15)3/h6-10,12,15H,1,11H2,2-5H3/t12-,15-,18+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N4C3=NN=C4C5=CC=C(C=C5)Br)I)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H20BrIN6O7/c1-10(32)35-8-15-17(36-11(2)33)18(37-12(3)34)22(38-15)30-9-26-16-20(30)27-23(25)31-19(28-29-21(16)31)13-4-6-14(24)7-5-13/h4-7,9,15,17-18,22H,8H2,1-3H3/t15-,17-,18-,22-/m1/s1
SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)N3C(=O)[C@H]4[C@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C30H21NO3/c32-29-27-25-21-13-4-5-14-22(21)26(24-16-7-6-15-23(24)25)28(27)30(33)31(29)18-9-8-12-20(17-18)34-19-10-2-1-3-11-19/h1-17,25-28H/t25?,26?,27-,28-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12-,13-,14-/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C5=CC=CC=C5C=C4)O)C6=CC=CC=C6)C7=CC(=CC=C7)Cl)[C@@H]8[C@H]1C(=O)N(C8=O)CCCCCC(=O)O
InChI: InChI=1S/C42H37ClN2O7/c43-26-13-9-14-27(22-26)45-39(50)33-23-32-29(19-20-30-35(32)40(51)44(38(30)49)21-8-2-5-16-34(46)47)36(42(33,41(45)52)25-11-3-1-4-12-25)31-18-17-24-10-6-7-15-28(24)37(31)48/h1,3-4,6-7,9-15,17-19,22,30,32-33,35-36,48H,2,5,8,16,20-21,23H2,(H,46,47)/t30-,32+,33-,35-,36+,42+/m0/s1
SMILES: CN1CCN(CC1)CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)C4=CC=CC(=C4)C=O)C5=NC6=CC(=C(C=C6N5)F)F
InChI: InChI=1S/C29H35F2N5O/c1-34-10-12-35(13-11-34)8-3-9-36(28-32-26-16-24(30)25(31)17-27(26)33-28)23-6-7-29(18-22(29)15-23)21-5-2-4-20(14-21)19-37/h2,4-5,14,16-17,19,22-23H,3,6-13,15,18H2,1H3,(H,32,33)/t22-,23+,29+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C19H27N5O4S/c1-12-4-3-5-16(13(12)2)21-19(29)23-22-17(25)10-11-20-18(26)14-6-8-15(9-7-14)24(27)28/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,26)(H,22,25)(H2,21,23,29)/t12-,13-,16+/m1/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)N)NC(=O)C
InChI: InChI=1S/C16H32N2O5/c1-3-4-5-6-7-8-9-22-16-14(18-11(2)20)13(17)15(21)12(10-19)23-16/h12-16,19,21H,3-10,17H2,1-2H3,(H,18,20)/t12-,13-,14-,15-,16-/m1/s1
SMILES: C1CN(CCN1C[C@@H]2C[C@H]3C[C@@H]2C=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H23ClN2/c19-17-3-5-18(6-4-17)21-9-7-20(8-10-21)13-16-12-14-1-2-15(16)11-14/h1-6,14-16H,7-13H2/t14-,15+,16+/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCC2=CN=CC=C2)O
InChI: InChI=1S/C26H40N2O3/c1-2-3-6-11-23(29)16-14-22-15-17-25(30)24(22)12-7-4-5-8-13-26(31)28-20-21-10-9-18-27-19-21/h9-10,14,16,18-19,22-24,29H,2-8,11-13,15,17,20H2,1H3,(H,28,31)/b16-14+/t22-,23-,24+/m0/s1
SMILES: CC[C@]1([C@]2([C@@]1(C3([NH+]=C2N)OCCO3)C#N)C#N)C4=CC=C(C=C4)Br
InChI: InChI=1S/C17H15BrN4O2/c1-2-14(11-3-5-12(18)6-4-11)15(9-19)13(21)22-17(16(14,15)10-20)23-7-8-24-17/h3-6H,2,7-8H2,1H3,(H2,21,22)/p+1/t14-,15+,16-/m1/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=C(\C#N)/C3=NC(=CS3)C4=CC=CC=C4
InChI: InChI=1S/C20H16N2OS/c1-13-9-17(13)19-8-7-16(23-19)10-15(11-21)20-22-18(12-24-20)14-5-3-2-4-6-14/h2-8,10,12-13,17H,9H2,1H3/b15-10+/t13-,17-/m0/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N(C=O)[C@H](CC/C(=C\C2=CC=CC=C2)/F)C(=O)NC3=CC=CC=C3CO[Si](C)(C)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C52H77FN2O12Si/c1-48(2,3)44(58)62-31-38-39(65-45(59)49(4,5)6)40(66-46(60)50(7,8)9)41(67-47(61)51(10,11)12)43(64-38)55(32-56)37(28-27-35(53)29-33-23-19-18-20-24-33)42(57)54-36-26-22-21-25-34(36)30-63-68(16,17)52(13,14)15/h18-26,29,32,37-41,43H,27-28,30-31H2,1-17H3,(H,54,57)/b35-29+/t37-,38-,39+,40+,41-,43-/m1/s1
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H22N2O4/c1-11-8-9-16(25-3)15(10-11)20-17(22)12(2)21-18(23)13-6-4-5-7-14(13)19(21)24/h4-5,8-10,12-14H,6-7H2,1-3H3,(H,20,22)/t12-,13-,14+/m0/s1
SMILES: COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C22H33N3O2/c1-27-21-9-5-4-8-20(21)24-14-12-23(13-15-24)17-22(26)25-11-10-18-6-2-3-7-19(18)16-25/h4-5,8-9,18-19H,2-3,6-7,10-17H2,1H3/p+1/t18-,19+/m0/s1