EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCCC1=C(N(N=N1)C[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O)/C=N/NC(=O)[C@H]([C@@H](C3=CC=C(C=C3)OC)O)O
InChI: InChI=1S/C24H36N6O7/c1-3-4-5-6-16-19(30(29-27-16)12-17-21(33)22(34)18(13-31)26-17)11-25-28-24(36)23(35)20(32)14-7-9-15(37-2)10-8-14/h7-11,17-18,20-23,26,31-35H,3-6,12-13H2,1-2H3,(H,28,36)/b25-11+/t17-,18-,20-,21-,22-,23+/m1/s1
SMILES: C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(CC2=NC(=C(O2)C=C)C(=O)N3CCCC3C(=O)O[C@@H]1C(C)C)F)O)/C
InChI: InChI=1S/C30H40FN3O6/c1-6-24-27-29(37)34-14-8-10-23(34)30(38)40-28(18(2)3)20(5)11-12-25(36)32-13-7-9-19(4)15-22(35)16-21(31)17-26(33-27)39-24/h6-7,9,11-12,15,18,20-23,28,35H,1,8,10,13-14,16-17H2,2-5H3,(H,32,36)/b9-7+,12-11+,19-15+/t20-,21?,22-,23?,28-/m1/s1
SMILES: C[C@H]1C[C@@]([C@@H](CN1CC2=CC=CC=C2)C)(C3CCCCC3)O
InChI: InChI=1S/C20H31NO/c1-16-14-21(15-18-9-5-3-6-10-18)17(2)13-20(16,22)19-11-7-4-8-12-19/h3,5-6,9-10,16-17,19,22H,4,7-8,11-15H2,1-2H3/t16-,17+,20-/m1/s1
SMILES: C[C@]1(CC23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)[C@]([C@@H]2CC[C@H]1C3OC(=O)C(C)(C)C)(C)O)O)O)O
InChI: InChI=1S/C25H42O7/c1-20(2,3)19(28)32-18-13-8-9-14-23(7,30)15-10-16(26)21(4,5)25(15,31)17(27)11-24(14,18)12-22(13,6)29/h13-18,26-27,29-31H,8-12H2,1-7H3/t13-,14-,15-,16-,17+,18?,22+,23+,24?,25-/m0/s1
SMILES: CCCN(CCC)[C@@H]1CCC2=C([C@@H]1C)C(=CC=C2)C3=CC=CO3
InChI: InChI=1S/C21H29NO/c1-4-13-22(14-5-2)19-12-11-17-8-6-9-18(21(17)16(19)3)20-10-7-15-23-20/h6-10,15-16,19H,4-5,11-14H2,1-3H3/t16-,19-/m1/s1
SMILES: COC1=CC=CC2=C1OC(=O)[C@]3([C@H]2C4=C(NC(=O)S4)SC3)CC(=O)O
InChI: InChI=1S/C16H13NO6S2/c1-22-8-4-2-3-7-10-12-13(17-15(21)25-12)24-6-16(10,5-9(18)19)14(20)23-11(7)8/h2-4,10H,5-6H2,1H3,(H,17,21)(H,18,19)/t10-,16-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@H]1O2)O)O
InChI: InChI=1S/C22H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)23-19-21(26)20(25)17-16-27-22(19)28-17/h17,19-22,25-26H,2-16H2,1H3,(H,23,24)/t17-,19-,20-,21-,22+/m1/s1
SMILES: C1CCC2(C1)[C@@H]3CCC[C@@]3(C4=C2SC5=CC=CC=C54)C6=CC7=CC=CC=C7S6
InChI: InChI=1S/C26H24S2/c1-3-10-19-17(8-1)16-22(27-19)26-15-7-12-21(26)25(13-5-6-14-25)24-23(26)18-9-2-4-11-20(18)28-24/h1-4,8-11,16,21H,5-7,12-15H2/t21-,26-/m0/s1
SMILES: C1C=C(C[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)Cl
InChI: InChI=1S/C14H13ClN2O4S/c15-8-1-6-11-12(7-8)14(19)17(13(11)18)9-2-4-10(5-3-9)22(16,20)21/h1-5,11-12H,6-7H2,(H2,16,20,21)/t11-,12-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5OC)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-])C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C35H29ClFN3O9/c1-35-23(32(43)39(34(35)45)18-8-11-25(37)24(36)12-18)15-22-20(30(35)29-26(41)13-19(48-2)14-27(29)49-3)9-10-21-28(22)33(44)38(31(21)42)16-4-6-17(7-5-16)40(46)47/h4-9,11-14,21-23,28,30,41H,10,15H2,1-3H3/t21-,22+,23-,28-,30+,35+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=COC5=C(C4)C=C(C=C5)O)Cl)C6=CC=C(C=C6)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)Cl
InChI: InChI=1S/C35H24Cl3FN2O6/c36-19-1-5-21(6-2-19)40-30(43)25-11-10-24-26(28(25)31(40)44)15-34(37)32(45)41(22-7-3-20(39)4-8-22)33(46)35(34,38)29(24)18-13-17-14-23(42)9-12-27(17)47-16-18/h1-10,12,14,16,25-26,28-29,42H,11,13,15H2/t25-,26+,28-,29-,34+,35-/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)O[C@@H]([C@@H]2C[C@@H]3CC[NH+]2C[C@@H]3C=C)C4=C5C=C(C=CC5=NC=C4)OC
InChI: InChI=1S/C28H30N2O4/c1-4-18-17-30-14-12-20(18)15-26(30)27(34-28(31)19-5-7-21(32-2)8-6-19)23-11-13-29-25-10-9-22(33-3)16-24(23)25/h4-11,13,16,18,20,26-27H,1,12,14-15,17H2,2-3H3/p+1/t18-,20-,26-,27+/m0/s1
SMILES: CCCCSCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC
InChI: InChI=1S/C29H41FO5S/c1-6-8-13-36-17-24(33)29(35-25(34)7-2)18(3)14-22-21-10-9-19-15-20(31)11-12-26(19,4)28(21,30)23(32)16-27(22,29)5/h11-12,15,18,21-23,32H,6-10,13-14,16-17H2,1-5H3/t18-,21-,22-,23-,26-,27-,28-,29-/m0/s1
SMILES: CC[C@@H]1[C@@H](C2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)C(F)(F)F)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C25H22F9NO3/c1-5-17-19(20(36)12-8-14(24(29,30)31)10-15(9-12)25(32,33)34)16-7-6-13(23(26,27)28)11-18(16)35(17)21(37)38-22(2,3)4/h6-11,17,19H,5H2,1-4H3/t17-,19-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl
InChI: InChI=1S/C18H23ClN2O4S/c1-11-5-3-4-6-15(11)20-18(24)21-16(22)10-25-17(23)13-9-12(26-2)7-8-14(13)19/h7-9,11,15H,3-6,10H2,1-2H3,(H2,20,21,22,24)/t11-,15-/m0/s1
SMILES: C1=CC=C(C=C1)CCN2C(=O)[C@@H]3[C@H]4C=CC5=CC=CC=C5N4[C@@H]([C@@H]3C2=O)C(=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C29H23ClN2O3/c30-21-13-10-20(11-14-21)27(33)26-25-24(23-15-12-19-8-4-5-9-22(19)32(23)26)28(34)31(29(25)35)17-16-18-6-2-1-3-7-18/h1-15,23-26H,16-17H2/t23-,24-,25-,26+/m1/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H](C(O1)[C@H](COC)O[C@H]2[C@@H]([C@H]([C@@H](O2)[C@H](CO)O)O)O)OC)OC
InChI: InChI=1S/C23H44O11/c1-5-6-7-8-9-10-11-31-23-21(30-4)20(29-3)19(34-23)15(13-28-2)32-22-17(27)16(26)18(33-22)14(25)12-24/h14-27H,5-13H2,1-4H3/t14-,15-,16+,17+,18-,19?,20-,21+,22+,23+/m0/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=CC(=C5)OC(F)(F)F)O)C(=O)N(C4=O)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)N(C)C
InChI: InChI=1S/C38H31F3N4O6/c1-19-16-31(47)34-29(35(19)48)18-27-25(32(34)28-17-24(12-15-30(28)46)51-38(39,40)41)13-14-26-33(27)37(50)45(36(26)49)23-10-6-21(7-11-23)43-42-20-4-8-22(9-5-20)44(2)3/h4-13,15-17,26-27,32-33,46H,14,18H2,1-3H3/t26-,27+,32+,33-/m0/s1
SMILES: C[C@@]1([C@H](N(C1=O)[C@H](CC(=O)N2CCC(CC2)N3CCCCC3)C(=O)NCC4=CC(=CC=C4)C(F)(F)F)/C=C/C5=CC=CC=C5)N6[C@H](COC6=O)C7=CC=CC=C7
InChI: InChI=1S/C43H48F3N5O5/c1-42(51-36(29-56-41(51)55)32-15-7-3-8-16-32)37(19-18-30-12-5-2-6-13-30)50(40(42)54)35(39(53)47-28-31-14-11-17-33(26-31)43(44,45)46)27-38(52)49-24-20-34(21-25-49)48-22-9-4-10-23-48/h2-3,5-8,11-19,26,34-37H,4,9-10,20-25,27-29H2,1H3,(H,47,53)/b19-18+/t35-,36-,37-,42+/m1/s1
SMILES: COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@@H]([C@H](O3)CN4C[C@H]([C@@H]([C@H]4CO)O)F)O)O)O)O)O)O
InChI: InChI=1S/C30H52FNO16/c1-42-20(34)8-6-4-2-3-5-7-9-43-28-26(40)23(37)18(47-28)13-45-30-27(41)24(38)19(48-30)14-44-29-25(39)22(36)17(46-29)11-32-10-15(31)21(35)16(32)12-33/h15-19,21-30,33,35-41H,2-14H2,1H3/t15-,16-,17-,18-,19-,21+,22-,23-,24-,25+,26+,27+,28+,29+,30+/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)NC(=O)CN2C(=CC(=N2)C(=O)NOCC3=CC=CC4=CC=CC=C43)C(=O)N[C@H]5CCCC[C@@H]5OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C44H49N5O6/c50-42(45-36-22-9-11-24-40(36)53-28-31-14-3-1-4-15-31)27-49-39(44(52)46-37-23-10-12-25-41(37)54-29-32-16-5-2-6-17-32)26-38(47-49)43(51)48-55-30-34-20-13-19-33-18-7-8-21-35(33)34/h1-8,13-21,26,36-37,40-41H,9-12,22-25,27-30H2,(H,45,50)(H,46,52)(H,48,51)/t36-,37-,40-,41-/m0/s1
SMILES: CCOC1=CC=C(C=C1)[C@H](NC2=CC=CC=C2)P3(=S)O[C@@H]([C@@H](O3)C)C
InChI: InChI=1S/C19H24NO3PS/c1-4-21-18-12-10-16(11-13-18)19(20-17-8-6-5-7-9-17)24(25)22-14(2)15(3)23-24/h5-15,19-20H,4H2,1-3H3/t14-,15+,19-,24?/m1/s1
SMILES: C[C@@H]1[C@H](C[C@@H]2[C@@H](O1)C[C@@H]3[C@@H](O2)CC[C@H]([C@](O3)(C)CCCOCC4=CC=CC=C4)OCC5=CC=CC=C5)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C37H56O6Si/c1-27-31(43-44(6,7)36(2,3)4)23-33-32(40-27)24-34-30(41-33)19-20-35(39-26-29-17-12-9-13-18-29)37(5,42-34)21-14-22-38-25-28-15-10-8-11-16-28/h8-13,15-18,27,30-35H,14,19-26H2,1-7H3/t27-,30+,31+,32+,33-,34-,35-,37+/m1/s1
SMILES: CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(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)O
InChI: InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22?,26-/m1/s1
SMILES: CC[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=C(C=C(C=C3)OC)OC)C(=O)N(C2=O)C)C(=O)OCC
InChI: InChI=1S/C20H26N2O6/c1-6-20(19(25)28-7-2)15-14(17(23)22(3)18(15)24)16(21-20)12-9-8-11(26-4)10-13(12)27-5/h8-10,14-16,21H,6-7H2,1-5H3/t14-,15+,16-,20-/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC(=CC=C6)[N+](=O)[O-])Br)O
InChI: InChI=1S/C28H21Br2Cl2N3O8/c1-43-19-8-12(7-18(30)22(19)36)21-15-5-6-16-20(17(15)10-27(31)25(39)33(11-29)26(40)28(21,27)32)24(38)34(23(16)37)13-3-2-4-14(9-13)35(41)42/h2-5,7-9,16-17,20-21,36H,6,10-11H2,1H3/t16-,17+,20-,21-,27+,28-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC4=C(C=C3)OCCO4
InChI: InChI=1S/C21H27N3O5/c1-13-5-3-4-6-15(13)22-18(25)12-24-19(26)21(2,23-20(24)27)14-7-8-16-17(11-14)29-10-9-28-16/h7-8,11,13,15H,3-6,9-10,12H2,1-2H3,(H,22,25)(H,23,27)/t13-,15+,21+/m0/s1
SMILES: CC[C@@H]1[C@H](O[Si](O[C@H]1[C@H](C)COS(=O)(=O)C2=CC=C(C=C2)C)(C(C)(C)C)C(C)(C)C)[C@H](C)COC(=O)C(C)(C)C
InChI: InChI=1S/C31H54O7SSi/c1-14-25-26(22(3)19-35-28(32)29(5,6)7)37-40(30(8,9)10,31(11,12)13)38-27(25)23(4)20-36-39(33,34)24-17-15-21(2)16-18-24/h15-18,22-23,25-27H,14,19-20H2,1-13H3/t22-,23-,25-,26-,27+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CN1CC[C@@H]([C@H](C1)C(=O)OC)C2=CC=C(C=C2)F
InChI: InChI=1S/C20H18O8.C14H18FNO2/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);3-6,12-13H,7-9H2,1-2H3/t15-,16-;12-,13+/m01/s1
SMILES: CCCCCCCCCCCCCCCCCCOC[C@H]([C@@H]1[C@H](OC(O1)(C)C)[C@@H](COCCCCCCCCCCCCCCCCCC)OC)OC
InChI: InChI=1S/C47H94O6/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-50-41-43(48-5)45-46(53-47(3,4)52-45)44(49-6)42-51-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h43-46H,7-42H2,1-6H3/t43-,44-,45-,46-/m1/s1
SMILES: CC1=C2C[C@@](C[C@@H]1OC(=O)[C@@H]([C@H](C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O)([C@H](C5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)O)(C(=O)[C@@H]2OC(=O)C)C)OC(=O)C7=CC=CC=C7)O
InChI: InChI=1S/C45H47NO14/c1-24-30-21-44(55,22-31(24)58-42(54)35(50)34(27-14-8-5-9-15-27)46-40(52)28-16-10-6-11-17-28)39(59-41(53)29-18-12-7-13-19-29)37-43(4,38(51)36(30)57-25(2)47)32(49)20-33-45(37,23-56-33)60-26(3)48/h5-19,31-37,39,49-50,55H,20-23H2,1-4H3,(H,46,52)/t31-,32-,33+,34-,35+,36+,37?,39-,43+,44+,45-/m0/s1
SMILES: C1=CC=C(C=C1)OC(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)COP(=S)(O)O)O
InChI: InChI=1S/C17H19N6O7PS/c18-14-12-15(20-7-19-14)23(8-21-12)16-11(13(24)10(30-16)6-28-31(26,27)32)22-17(25)29-9-4-2-1-3-5-9/h1-5,7-8,10-11,13,16,24H,6H2,(H,22,25)(H2,18,19,20)(H2,26,27,32)/t10-,11-,13-,16-/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)OCC=C)CN5CCC[C@H]5C(=O)OC(C)(C)C
InChI: InChI=1S/C39H48N2O7/c1-6-22-45-38(44)40-23-31-10-7-8-11-32(31)28-17-19-30(20-18-28)37-46-34(24-41-21-9-12-33(41)36(43)48-39(3,4)5)26(2)35(47-37)29-15-13-27(25-42)14-16-29/h6-8,10-11,13-20,26,33-35,37,42H,1,9,12,21-25H2,2-5H3,(H,40,44)/t26-,33+,34+,35+,37+/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](CCC2=CC=CC=C2)O)CC(CO)O)O
InChI: InChI=1S/C19H28O5/c20-12-15(22)10-17-16(18(23)11-19(17)24)9-8-14(21)7-6-13-4-2-1-3-5-13/h1-5,8-9,14-24H,6-7,10-12H2/b9-8+/t14-,15?,16+,17+,18+,19-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)C4=CC=C(C=C4)CN5CCN(CC5)C)C)[C@H](C)C(=O)NC6CC6)O
InChI: InChI=1S/C32H45N5O3S/c1-19(29(39)33-23-9-10-23)24-11-12-32(3)17-25-27(20(2)26(32)28(24)38)34-31(41-25)35-30(40)22-7-5-21(6-8-22)18-37-15-13-36(4)14-16-37/h5-8,19-20,23-24,26,28,38H,9-18H2,1-4H3,(H,33,39)(H,34,35,40)/t19-,20-,24+,26+,28-,32-/m0/s1
SMILES: C[C@H]1/C=C/C=C(/[C@@]2(CC(=O)C(=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/[C@H]1O)\C)O[C@]4(C3)C=C[C@@H]([C@H](O4)C(C)C)C)C)O)\C
InChI: InChI=1S/C33H46O7/c1-19(2)30-22(5)13-14-32(40-30)17-26-16-25(39-32)12-11-21(4)29(35)20(3)9-8-10-24(7)33(37)18-28(34)23(6)15-27(33)31(36)38-26/h8-11,13-15,19-20,22,25-27,29-30,35,37H,12,16-18H2,1-7H3/b9-8+,21-11+,24-10+/t20-,22-,25+,26-,27-,29-,30+,32+,33+/m0/s1
SMILES: CC[C@@](C)(CCC(=O)OC)/C=C/[C@@H]1C[C@@H](CC[C@H]1C(C)C)C
InChI: InChI=1S/C20H36O2/c1-7-20(5,13-11-19(21)22-6)12-10-17-14-16(4)8-9-18(17)15(2)3/h10,12,15-18H,7-9,11,13-14H2,1-6H3/b12-10+/t16-,17-,18+,20-/m1/s1
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NC2=NC=C(C=C2)Cl)C(=O)[O-]
InChI: InChI=1S/C13H13ClN2O3/c14-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)13(18)19/h1-2,5-7,9-10H,3-4H2,(H,18,19)(H,15,16,17)/p-1/t9-,10+/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCC=C)CCCCO)CCCCO)OCC=C)N(CC5=CC=C(C=C5)F)C(=O)C6=CC=C(C=C6)C#N
InChI: InChI=1S/C47H54FN3O7/c1-4-25-55-37-21-22-42-40(28-37)44-38(12-8-10-24-53)35(11-7-9-23-52)27-39-41(50-57-6-3)29-43(47(58-42,45(39)44)56-26-5-2)51(31-33-15-19-36(48)20-16-33)46(54)34-17-13-32(30-49)14-18-34/h4-5,13-22,27-28,35,38,43-45,52-53H,1-2,6-12,23-26,29,31H2,3H3/t35-,38+,43-,44+,45+,47+/m0/s1
SMILES: CC1(CCN(CC1)C2=CC(=C(C=C2)O)C(=O)C3=CC=C(C=C3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)C5=CC=NC=C5)C
InChI: InChI=1S/C33H39N5O4/c1-33(2)13-18-38(19-14-33)25-9-10-29(39)26(20-25)30(40)22-5-7-23(8-6-22)31(41)36-27-4-3-15-35-21-28(27)37-32(42)24-11-16-34-17-12-24/h5-12,16-17,20,27-28,35,39H,3-4,13-15,18-19,21H2,1-2H3,(H,36,41)(H,37,42)/t27-,28-/m1/s1
SMILES: C[C@]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)C#N
InChI: InChI=1S/C36H37NO5/c1-36(27-37)35(41-25-31-20-12-5-13-21-31)34(40-24-30-18-10-4-11-19-30)33(39-23-29-16-8-3-9-17-29)32(42-36)26-38-22-28-14-6-2-7-15-28/h2-21,32-35H,22-26H2,1H3/t32-,33-,34+,35-,36-/m1/s1
SMILES: CC(C)(C)C(=O)OC[C@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC(=N2)C(=O)N)O)O
InChI: InChI=1S/C13H20N4O6/c1-13(2,3)12(21)22-4-6-7(18)8(19)11(23-6)17-5-15-10(16-17)9(14)20/h5-8,11,18-19H,4H2,1-3H3,(H2,14,20)/t6-,7+,8-,11+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=CC7=CC=CC=C76)C(=O)NC8=CC=C(C=C8)OC)O)C(=C5)C(=O)C9=CC(=CC=C9)C(F)(F)F)O)C
InChI: InChI=1S/C49H51F3N2O5/c1-44-21-18-36(55)27-46(44)24-25-48(39(28-46)42(56)32-10-7-12-34(26-32)49(50,51)52)40(44)19-22-45(2)41(48)20-23-47(45,58)30-54(43(57)53-35-14-16-37(59-3)17-15-35)29-33-11-6-9-31-8-4-5-13-38(31)33/h4-17,24-26,28,36,40-41,55,58H,18-23,27,29-30H2,1-3H3,(H,53,57)/t36?,40-,41-,44-,45+,46+,47-,48-/m1/s1
SMILES: C[C@@H]1[C@]2([C@@H](CN1O)O[C@H]([C@@H]2O)N3C=C(C(=O)NC3=O)C)O
InChI: InChI=1S/C12H17N3O6/c1-5-3-14(11(18)13-9(5)17)10-8(16)12(19)6(2)15(20)4-7(12)21-10/h3,6-8,10,16,19-20H,4H2,1-2H3,(H,13,17,18)/t6-,7-,8+,10-,12-/m1/s1
SMILES: CCCCCCCOCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI: InChI=1S/C17H27N5O5/c1-2-3-4-5-6-7-26-11-12-9-22(17(25)19-16(12)24)15-8-13(20-21-18)14(10-23)27-15/h9,13-15,23H,2-8,10-11H2,1H3,(H,19,24,25)/t13-,14+,15+/m0/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4)C(=O)O
InChI: InChI=1S/C20H17ClN2O4S/c21-13-6-5-12(9-14(13)23-18(24)15-2-1-7-28-15)22-19(25)16-10-3-4-11(8-10)17(16)20(26)27/h1-7,9-11,16-17H,8H2,(H,22,25)(H,23,24)(H,26,27)/t10-,11+,16-,17+/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=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCN(CC8)CC9=CC1=C(C=C9)OCO1
InChI: InChI=1S/C54H55N5O11/c1-33(2)44(50(62)66-3)55-53(65)58-40-20-11-10-19-39(40)54(52(58)64)43(49(61)57-25-23-56(24-26-57)31-34-21-22-41-42(29-34)69-32-68-41)46-51(63)70-47(36-15-8-5-9-16-36)45(35-13-6-4-7-14-35)59(46)48(54)37-17-12-18-38(30-37)67-28-27-60/h4-22,29-30,33,43-48,60H,23-28,31-32H2,1-3H3,(H,55,65)/t43-,44-,45-,46-,47+,48+,54-/m0/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=C\3/C(=O)OC(=N3)C4=CC=CC=C4OC(F)F
InChI: InChI=1S/C19H15F2NO4/c1-10-8-13(10)16-7-6-11(24-16)9-14-18(23)26-17(22-14)12-4-2-3-5-15(12)25-19(20)21/h2-7,9-10,13,19H,8H2,1H3/b14-9-/t10-,13-/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)C(=O)C5=CC6=CC=CC=C6OC5=O
InChI: InChI=1S/C40H46N4O7/c1-40(2,3)42-37(48)32-24-44(38(49)31-21-27-14-8-10-16-34(27)51-39(31)50)18-17-43(32)23-29(45)20-28(19-25-11-5-4-6-12-25)36(47)41-35-30-15-9-7-13-26(30)22-33(35)46/h4-16,21,28-29,32-33,35,45-46H,17-20,22-24H2,1-3H3,(H,41,47)(H,42,48)/t28-,29+,32+,33-,35+/m1/s1
SMILES: C=CCN(C1CCN(CC1)C[C@H]2CN(C[C@@H]2C3=CC=CC=C3)C(=O)C4CCCCC4)C5=CN=CC=C5
InChI: InChI=1S/C31H42N4O/c1-2-18-35(29-14-9-17-32-21-29)28-15-19-33(20-16-28)22-27-23-34(31(36)26-12-7-4-8-13-26)24-30(27)25-10-5-3-6-11-25/h2-3,5-6,9-11,14,17,21,26-28,30H,1,4,7-8,12-13,15-16,18-20,22-24H2/t27-,30+/m0/s1
SMILES: C[N@+]12CCC3=CC(=C(C=C3[C@@H]1CC4=C(C2)C(=C(C=C4)OC)OC)O)OC
InChI: InChI=1S/C21H25NO4/c1-22-8-7-14-10-20(25-3)18(23)11-15(14)17(22)9-13-5-6-19(24-2)21(26-4)16(13)12-22/h5-6,10-11,17H,7-9,12H2,1-4H3/p+1/t17-,22+/m0/s1
SMILES: CC1=C(C2=C(C=C1)[C@H]3C=CC[C@H]3[C@@H](N2)C(=O)[O-])C
InChI: InChI=1S/C15H17NO2/c1-8-6-7-12-10-4-3-5-11(10)14(15(17)18)16-13(12)9(8)2/h3-4,6-7,10-11,14,16H,5H2,1-2H3,(H,17,18)/p-1/t10-,11+,14+/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)C4=CC5=C(C=C4)OCO5)CCCO
InChI: InChI=1S/C32H35N3O7/c1-2-39-32-23(6-5-15-36)24(22-13-14-27-28(16-22)41-19-40-27)17-29(42-32)31(38)34-18-20-9-11-21(12-10-20)30(37)35-26-8-4-3-7-25(26)33/h3-4,7-14,16-17,23-24,32,36H,2,5-6,15,18-19,33H2,1H3,(H,34,38)(H,35,37)/t23-,24-,32-/m0/s1
SMILES: CN1[C@@H]([C@H]([C@@H](O1)C(=O)OC)C(=O)OC)C(F)(F)F
InChI: InChI=1S/C9H12F3NO5/c1-13-6(9(10,11)12)4(7(14)16-2)5(18-13)8(15)17-3/h4-6H,1-3H3/t4-,5+,6-/m0/s1
SMILES: C[C@H](CO)[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)O)C)N6N4C(=O)N(C6=O)C7=CC=CC=C7)C
InChI: InChI=1S/C31H41N3O5/c1-19(18-35)22-10-11-23-27(22,2)13-12-24-29(4)28(3,39)16-21(36)17-30(29)14-15-31(23,24)34-26(38)32(25(37)33(30)34)20-8-6-5-7-9-20/h5-9,14-15,19,21-24,35-36,39H,10-13,16-18H2,1-4H3/t19-,21+,22-,23-,24-,27-,28+,29+,30-,31+/m1/s1
SMILES: CC(=O)O[C@H]1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)C
InChI: InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1
SMILES: CC(=O)C1=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(C=C6)OC)O)C7=CC=C(C=C7)OC)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C42H35Cl2N3O8/c1-21(48)22-4-10-26(11-5-22)46-38(50)29-15-14-28-30(36(29)40(46)52)20-31-39(51)47(45-33-16-9-25(43)19-32(33)44)41(53)42(31,24-7-12-27(54-2)13-8-24)37(28)23-6-17-35(55-3)34(49)18-23/h4-14,16-19,29-31,36-37,45,49H,15,20H2,1-3H3/t29-,30+,31-,36-,37-,42+/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H](C[C@H]3[C@H](O2)[C@H]([C@@H]([C@H]4[C@H](O3)[C@H]([C@@H]([C@]5(O4)CCCO5)C)C)O)C)O[C@H]6COC(O[C@@H]6C1)C7=CC=C(C=C7)OC
InChI: InChI=1S/C33H48O9/c1-17-13-23-25(38-27-16-36-32(41-24(27)14-17)21-7-9-22(35-5)10-8-21)15-26-29(39-23)19(3)28(34)31-30(40-26)18(2)20(4)33(42-31)11-6-12-37-33/h7-10,17-20,23-32,34H,6,11-16H2,1-5H3/t17-,18+,19+,20+,23+,24-,25-,26+,27+,28+,29-,30-,31+,32?,33-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC24OCCO4)CC[C@@]5([C@@]3(CCC6(C5)OCCO6)C#C)O
InChI: InChI=1S/C24H34O5/c1-3-21-10-11-23(26-12-13-27-23)16-22(21,25)8-4-17-18-6-9-24(28-14-15-29-24)20(18,2)7-5-19(17)21/h1,17-19,25H,4-16H2,2H3/t17-,18-,19-,20-,21+,22+/m0/s1
SMILES: C[C@H]1[C@H]2[C@H](C3=CC=CC=C3N1C(=O)C4=CC=C(C=C4)C)SCCCO2
InChI: InChI=1S/C21H23NO2S/c1-14-8-10-16(11-9-14)21(23)22-15(2)19-20(25-13-5-12-24-19)17-6-3-4-7-18(17)22/h3-4,6-11,15,19-20H,5,12-13H2,1-2H3/t15-,19-,20-/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)C(=O)C4=CC(=CC(=C4)Cl)Cl
InChI: InChI=1S/C20H20Cl2N2O/c1-12-3-4-18-16(7-12)17-11-23(2)6-5-19(17)24(18)20(25)13-8-14(21)10-15(22)9-13/h3-4,7-10,17,19H,5-6,11H2,1-2H3/t17-,19-/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@H]([C@]4(C)CCC(=O)OC)C(=C)C)C)C(=O)OC
InChI: InChI=1S/C32H50O4/c1-20(2)22-12-17-32(28(34)36-9)19-18-30(6)24(27(22)32)10-11-25-29(5,15-14-26(33)35-8)23(21(3)4)13-16-31(25,30)7/h22-25,27H,1,3,10-19H2,2,4-9H3/t22-,23-,24+,25+,27+,29-,30+,31+,32-/m0/s1
SMILES: C[C@H](C1CC2C[C@@]3(C1C(CC[C@@]34C(=O)C5=C(N4)C=C(C=C5)OC)NC2)C(=O)OC)O
InChI: InChI=1S/C23H30N2O5/c1-12(26)16-8-13-10-22(21(28)30-3)19(16)17(24-11-13)6-7-23(22)20(27)15-5-4-14(29-2)9-18(15)25-23/h4-5,9,12-13,16-17,19,24-26H,6-8,10-11H2,1-3H3/t12-,13?,16?,17?,19?,22-,23-/m1/s1
SMILES: CC1=CC=C(O1)[C@@H]2[C@@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C(=O)O)C
InChI: InChI=1S/C18H18N4O3/c1-10-3-4-13(25-10)15-12-7-22(2)6-5-11(12)14(17(23)24)16(21)18(15,8-19)9-20/h3-5,12,15H,6-7,21H2,1-2H3,(H,23,24)/t12-,15+/m1/s1
SMILES: CC[C@H]([C@H]([C@@H]([C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2COC(=O)C4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O)C(C)C
InChI: InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16-,17-,18?,19+,20?,21?,22?,23-,24+,25+,26+,28+,29+/m0/s1
SMILES: CC1=CC=C(C=C1)C2=CC(=NC(=N2)S[C@H]3CC(=O)[C@H]4OC[C@H]3O4)C(F)F
InChI: InChI=1S/C18H16F2N2O3S/c1-9-2-4-10(5-3-9)11-6-12(16(19)20)22-18(21-11)26-15-7-13(23)17-24-8-14(15)25-17/h2-6,14-17H,7-8H2,1H3/t14-,15+,17+/m1/s1
SMILES: CC(C)CC(=O)N(CC1=COC=C1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C27H32N2O8/c1-15(2)8-22(32)29(12-16-4-7-36-14-16)20-11-19(27(34)28-5-6-30)23-18-9-17(13-31)10-21(35-3)25(18)37-26(23)24(20)33/h4,7,9-11,13-15,20,23-24,26,30,33H,5-6,8,12H2,1-3H3,(H,28,34)/t20-,23+,24+,26+/m1/s1
SMILES: CCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CC/C=C(\C)/C=C/CCCCCCC)O)O
InChI: InChI=1S/C41H75NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h22,25-28,33-39,41,43-48H,4-21,23-24,29-31H2,1-3H3,(H,42,49)/b26-22+,28-25+,32-27+/t33-,34+,35+,36+,37+,38-,39+,41+/m0/s1
SMILES: C1=C(C(=NC(=S)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)N)Cl
InChI: InChI=1S/C9H12ClN3O4S/c10-3-1-13(9(18)12-7(3)11)8-6(16)5(15)4(2-14)17-8/h1,4-6,8,14-16H,2H2,(H2,11,12,18)/t4-,5-,6+,8-/m1/s1
SMILES: CC(C)(C)NC(=O)C1C[C@@H]2CCCC[C@@H]2CN1C[C@@H]([C@H](CC3=CC=CC=C3)/C=C/[C@@H](CS(=O)(=O)C4=CC5=CC=CC=C5C=C4)NS(=O)(=O)C)O
InChI: InChI=1S/C39H53N3O6S2/c1-39(2,3)40-38(44)36-24-31-16-10-11-17-33(31)25-42(36)26-37(43)32(22-28-12-6-5-7-13-28)18-20-34(41-49(4,45)46)27-50(47,48)35-21-19-29-14-8-9-15-30(29)23-35/h5-9,12-15,18-21,23,31-34,36-37,41,43H,10-11,16-17,22,24-27H2,1-4H3,(H,40,44)/b20-18+/t31-,32-,33+,34-,36?,37-/m0/s1
SMILES: CC1=CC(=CC=C1)OC2=CC=C(C=C2)N3C(=O)[C@H]4C5C6=CC=CC=C6C([C@@]4(C3=O)C)C7=CC=CC=C57
InChI: InChI=1S/C32H25NO3/c1-19-8-7-9-22(18-19)36-21-16-14-20(15-17-21)33-30(34)29-27-23-10-3-5-12-25(23)28(32(29,2)31(33)35)26-13-6-4-11-24(26)27/h3-18,27-29H,1-2H3/t27?,28?,29-,32+/m1/s1
SMILES: COC1=C(C=CC(=C1)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC(=C(C=C8)C(=O)O)O)O
InChI: InChI=1S/C42H33ClFN3O9/c1-56-35-18-21(3-17-33(35)48)2-16-31-27-14-15-29-36(39(52)46(37(29)50)26-12-13-28(40(53)54)34(49)19-26)30(27)20-32-38(51)47(45-25-10-8-24(44)9-11-25)41(55)42(31,32)22-4-6-23(43)7-5-22/h2-14,16-19,29-32,36,45,48-49H,15,20H2,1H3,(H,53,54)/t29-,30+,31-,32-,36-,42-/m0/s1
SMILES: CC1=C2C(=CC=C1)[C@@]3([C@H]4[C@@H]([C@H](N3)CCC(=O)O)C(=O)N(C4=O)CC5=CC6=C(C=C5)OCO6)C(=O)N2
InChI: InChI=1S/C25H23N3O7/c1-12-3-2-4-14-21(12)26-24(33)25(14)20-19(15(27-25)6-8-18(29)30)22(31)28(23(20)32)10-13-5-7-16-17(9-13)35-11-34-16/h2-5,7,9,15,19-20,27H,6,8,10-11H2,1H3,(H,26,33)(H,29,30)/t15-,19-,20+,25-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2CC(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H32N4O2S/c1-15(2)13-26-21(17-9-11-18(28-4)12-10-17)24-25-22(26)29-14-20(27)23-19-8-6-5-7-16(19)3/h9-12,15-16,19H,5-8,13-14H2,1-4H3,(H,23,27)/t16-,19-/m0/s1
SMILES: [C@@]12([C@@](C3([C@]([C@](C1(F)F)(C(C(C2(F)F)(C3(F)F)F)(F)F)F)(F)Cl)F)(F)Cl)F
InChI: InChI=1S/C10Cl2F14/c11-5(17)1(13)6(12,18)3(15)8(21,22)2(5,14)9(23,24)4(16,7(1,19)20)10(3,25)26/t1?,2-,3+,4?,5-,6-/m1/s1
SMILES: C1CCC(CC1)[C@H](C(=O)O)N2C[C@@H]([C@H](C2)C3=CC=CC=C3)CN4CCC(CC4)C5=CN=C(N5)CC6=CC=CC=C6
InChI: InChI=1S/C34H44N4O2/c39-34(40)33(28-14-8-3-9-15-28)38-23-29(30(24-38)26-12-6-2-7-13-26)22-37-18-16-27(17-19-37)31-21-35-32(36-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-30,33H,3,8-9,14-20,22-24H2,(H,35,36)(H,39,40)/t29-,30+,33+/m0/s1
SMILES: C1CC=C2[C@@H](C1)[C@@H](C(C(=N)[C@H]2C(=O)[O-])(C#N)C#N)C3=CC(=CC=C3)C(F)(F)F
InChI: InChI=1S/C20H16F3N3O2/c21-20(22,23)12-5-3-4-11(8-12)16-14-7-2-1-6-13(14)15(18(27)28)17(26)19(16,9-24)10-25/h3-6,8,14-16,26H,1-2,7H2,(H,27,28)/p-1/t14-,15+,16+/m1/s1