EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@@]15[C@@H](OC(=O)O5)C(=O)OC)C)O)F)C
InChI: InChI=1S/C24H29FO7/c1-12-9-16-15-6-5-13-10-14(26)7-8-21(13,2)23(15,25)17(27)11-22(16,3)24(12)18(19(28)30-4)31-20(29)32-24/h7-8,10,12,15-18,27H,5-6,9,11H2,1-4H3/t12-,15+,16+,17+,18+,21+,22+,23+,24+/m1/s1
SMILES: COC1=C(C=CC(=C1)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O
InChI: InChI=1S/C33H22BrF6NO6/c1-47-26-8-14(3-7-24(26)42)2-4-19-18-5-6-20-28(21(18)12-22-27(19)25(43)13-23(34)29(22)44)31(46)41(30(20)45)17-10-15(32(35,36)37)9-16(11-17)33(38,39)40/h2-5,7-11,13,19-21,28,42H,6,12H2,1H3/t19-,20-,21+,28-/m0/s1
SMILES: CCOC(=O)C1=NN[C@H]([C@@H]1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H17ClN2O3/c1-2-25-19(24)17-15(12-8-10-14(20)11-9-12)16(21-22-17)18(23)13-6-4-3-5-7-13/h3-11,15-16,21H,2H2,1H3/t15-,16+/m0/s1
SMILES: C[C@H]1CC[C@H]([C@H](C1)OC(=O)C[N+]2=CC=CC(=C2)C)C(C)C
InChI: InChI=1S/C18H28NO2/c1-13(2)16-8-7-14(3)10-17(16)21-18(20)12-19-9-5-6-15(4)11-19/h5-6,9,11,13-14,16-17H,7-8,10,12H2,1-4H3/q+1/t14-,16-,17-/m0/s1
SMILES: CCOC1=CC=CC=C1[C@H]2[C@H]3CN(CC=C3[C@H](C(=N)C2(C#N)C#N)C#N)C(=O)OCC
InChI: InChI=1S/C23H23N5O3/c1-3-30-19-8-6-5-7-16(19)20-18-12-28(22(29)31-4-2)10-9-15(18)17(11-24)21(27)23(20,13-25)14-26/h5-9,17-18,20,27H,3-4,10,12H2,1-2H3/t17-,18+,20+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N(C3=O)C4=CC=C(C=C4)Cl)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C34H58ClN5O5Si3/c1-32(2,3)46(10,11)42-20-24-26(44-47(12,13)33(4,5)6)27(45-48(14,15)34(7,8)9)30(43-24)39-21-37-25-28(39)38-31(36)40(29(25)41)23-18-16-22(35)17-19-23/h16-19,21,24,26-27,30H,20H2,1-15H3,(H2,36,38)/t24-,26-,27-,30-/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)C
InChI: InChI=1S/C23H23N3O3/c1-15-8-10-17(11-9-15)20-13-21(26(25-20)18-6-4-3-5-7-18)24-22(27)14-29-23(28)19-12-16(19)2/h3-11,13,16,19H,12,14H2,1-2H3,(H,24,27)/t16-,19+/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)C(C)C)CCOCCOCCO
InChI: InChI=1S/C29H43N3O7/c1-4-38-28-22(11-15-36-17-18-37-16-14-33)23(20(2)3)19-26(39-28)27(34)31-12-9-21(10-13-31)32-25-8-6-5-7-24(25)30-29(32)35/h5-8,19-23,28,33H,4,9-18H2,1-3H3,(H,30,35)/t22-,23+,28+/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=COC6=C(C5)C=C(C=C6)O)C(=O)N(C4=O)CC7=CC=CS7)Cl
InChI: InChI=1S/C29H24Cl2N2O6S/c1-32-26(37)28(30)11-20-18(5-6-19-22(20)25(36)33(24(19)35)12-17-3-2-8-40-17)23(29(28,31)27(32)38)15-9-14-10-16(34)4-7-21(14)39-13-15/h2-5,7-8,10,13,19-20,22-23,34H,6,9,11-12H2,1H3/t19-,20+,22-,23-,28+,29-/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)OC)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI: InChI=1S/C22H25NO5/c1-13-21(19(24)11-20(26-2)28-13)23-22(25)27-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-21,24H,11-12H2,1-2H3,(H,23,25)/t13-,19-,20+,21+/m0/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C(CO)O)C)C)C(C)C
InChI: InChI=1S/C32H54O4/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(36-30(35)29(34)19-33)14-16-31(23,5)28(25)15-17-32(26,27)6/h10,20-22,24-29,33-34H,7-9,11-19H2,1-6H3/t21-,22-,24+,25?,26-,27?,28?,29?,31+,32-/m1/s1
SMILES: C[C@]12C[C@H]([C@@H](C(=O)N1C)C(=O)O)C3=C(O2)C=CC(=C3)Cl
InChI: InChI=1S/C14H14ClNO4/c1-14-6-9(11(13(18)19)12(17)16(14)2)8-5-7(15)3-4-10(8)20-14/h3-5,9,11H,6H2,1-2H3,(H,18,19)/t9-,11-,14-/m0/s1
SMILES: COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@H]3C4=C(CCN3C[C@H]2O)C5=CC=CC=C5N4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C27H34N2O10/c1-36-25(35)15-11-37-26(39-27-24(34)23(33)22(32)19(10-30)38-27)20-14(15)8-17-21-13(6-7-29(17)9-18(20)31)12-4-2-3-5-16(12)28-21/h2-5,11,14,17-20,22-24,26-28,30-34H,6-10H2,1H3/t14-,17+,18-,19-,20+,22-,23+,24-,26+,27+/m1/s1
SMILES: C1COC2=C1C=C(C=C2)CCC3=CNC4=C3C=C(C=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C24H27NO6/c26-12-20-21(27)22(28)23(29)24(31-20)15-4-5-18-17(10-15)16(11-25-18)3-1-13-2-6-19-14(9-13)7-8-30-19/h2,4-6,9-11,20-29H,1,3,7-8,12H2/t20-,21-,22+,23-,24+/m1/s1
SMILES: C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CSC3=NN=NN3C4=CC=CC=C4
InChI: InChI=1S/C15H15N5O5S2/c1-15(12(13(22)23)19-10(21)7-11(19)27(15,24)25)8-26-14-16-17-18-20(14)9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3,(H,22,23)/t11-,12+,15+/m1/s1
SMILES: C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCF)OC(=O)C5CCOCC5)C)O)F)C)F
InChI: InChI=1S/C28H35F3O7/c1-15-10-18-19-12-21(30)20-11-17(32)4-7-25(20,2)27(19,31)22(33)13-26(18,3)28(15,24(35)37-14-29)38-23(34)16-5-8-36-9-6-16/h4,7,11,15-16,18-19,21-22,33H,5-6,8-10,12-14H2,1-3H3/t15-,18?,19?,21+,22+,25+,26+,27+,28+/m1/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=C(C=C3)C=CC(=O)O[C@H]4C(=O)OCC4(C)C)C(=O)N5CCC[C@@H]5C(=O)NCCO)CCCCC
InChI: InChI=1S/C41H56N2O11/c1-5-7-9-19-41(20-10-8-6-2)53-32-25-29(37(47)43-22-11-12-30(43)36(46)42-21-23-44)24-31(34(32)54-41)51-38(48)28-16-13-27(14-17-28)15-18-33(45)52-35-39(49)50-26-40(35,3)4/h13-18,25,30-32,34-35,44H,5-12,19-24,26H2,1-4H3,(H,42,46)/t30-,31-,32-,34+,35+/m1/s1
SMILES: C/C(=N/NC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2)/C3=CC=C(C=C3)Br
InChI: InChI=1S/C18H17BrN2O/c1-12(13-7-9-15(19)10-8-13)20-21-18(22)17-11-16(17)14-5-3-2-4-6-14/h2-10,16-17H,11H2,1H3,(H,21,22)/b20-12-/t16-,17+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)C
InChI: InChI=1S/C19H29N3O2/c1-14-8-10-16(11-9-14)20-18(23)12-22(3)13-19(24)21-17-7-5-4-6-15(17)2/h8-11,15,17H,4-7,12-13H2,1-3H3,(H,20,23)(H,21,24)/t15-,17-/m0/s1
SMILES: CC(C)OC1=C(C=C(C=C1)[C@@H]2[C@@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4)OC
InChI: InChI=1S/C30H29N5O4/c1-19(2)39-25-10-9-21(13-26(25)37-3)27-24-15-35(29(36)38-16-20-7-5-4-6-8-20)12-11-22(24)23(14-31)28(34)30(27,17-32)18-33/h4-11,13,19,24,27H,12,15-16,34H2,1-3H3/t24-,27-/m1/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)C(=O)[O-]
InChI: InChI=1S/C19H25FN2O3/c20-15-5-3-4-14(12-15)13-21-8-10-22(11-9-21)18(23)16-6-1-2-7-17(16)19(24)25/h3-5,12,16-17H,1-2,6-11,13H2,(H,24,25)/t16-,17+/m0/s1
SMILES: CCN1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC4=CC=CC=C43)OC
InChI: InChI=1S/C25H23N5O/c1-3-30-11-10-18-19(12-26)24(29)25(14-27,15-28)23(20(18)13-30)22-17-7-5-4-6-16(17)8-9-21(22)31-2/h4-10,20,23H,3,11,13,29H2,1-2H3/t20-,23+/m0/s1
SMILES: CC(C)C(C)(C)OC[C@]12[C@@H]3[C@@H]4C=CC1(O4)CS[C@H]2O[C@@H]3OC
InChI: InChI=1S/C17H26O4S/c1-10(2)15(3,4)19-8-17-12-11-6-7-16(17,21-11)9-22-14(17)20-13(12)18-5/h6-7,10-14H,8-9H2,1-5H3/t11-,12+,13-,14+,16?,17+/m0/s1
SMILES: CCOC1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4Cl)ON2C5=CC=CC=C5
InChI: InChI=1S/C25H21ClN2O4/c1-2-31-18-14-12-16(13-15-18)22-21-23(32-28(22)17-8-4-3-5-9-17)25(30)27(24(21)29)20-11-7-6-10-19(20)26/h3-15,21-23H,2H2,1H3/t21-,22-,23-/m0/s1
SMILES: COC1=CC=C(C=C1)C2=NN3C(=NC(=S)N(C3=S)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O2
InChI: InChI=1S/C17H18N4O7S2/c1-26-8-4-2-7(3-5-8)13-19-21-15(28-13)18-16(29)20(17(21)30)14-12(25)11(24)10(23)9(6-22)27-14/h2-5,9-12,14,22-25H,6H2,1H3/t9-,10-,11+,12-,14-/m1/s1
SMILES: CCOC(=O)NN=C1C[C@H]([C@H]([C@H]2[C@H]1CC[C@@H]3[C@H]2C(=O)N(C3=O)C(C)(C)C)O)O
InChI: InChI=1S/C19H29N3O6/c1-5-28-18(27)21-20-11-8-12(23)15(24)13-9(11)6-7-10-14(13)17(26)22(16(10)25)19(2,3)4/h9-10,12-15,23-24H,5-8H2,1-4H3,(H,21,27)/t9-,10+,12+,13-,14+,15+/m0/s1
SMILES: C[C@H]1CC2=CC(=O)CCC2C3C1C4CC[C@]([C@]4(CC3)C)(C(C(F)(F)F)(F)F)O
InChI: InChI=1S/C21H27F5O2/c1-11-9-12-10-13(27)3-4-14(12)15-5-7-18(2)16(17(11)15)6-8-19(18,28)20(22,23)21(24,25)26/h10-11,14-17,28H,3-9H2,1-2H3/t11-,14?,15?,16?,17?,18-,19-/m0/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3F)F)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C19H15F2NO2/c20-12-8-15-13-2-1-3-14(13)17(22-18(15)16(21)9-12)10-4-6-11(7-5-10)19(23)24/h1-2,4-9,13-14,17,22H,3H2,(H,23,24)/t13-,14-,17+/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4
InChI: InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16-,17+,18-,19+,20-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)Br)O)C(=O)N(C4=O)C6=CC=C(C=C6)I)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C33H26BrIN2O5/c1-33-25(30(40)37(32(33)42)19-5-3-2-4-6-19)16-23-21(28(33)24-15-17(34)7-14-26(24)38)12-13-22-27(23)31(41)36(29(22)39)20-10-8-18(35)9-11-20/h2-12,14-15,22-23,25,27-28,38H,13,16H2,1H3/t22-,23+,25-,27-,28+,33+/m0/s1
SMILES: C[C@@H]1C=CCC([C@H]1C(=O)C[C@@H](C)NCC2=CC=CC=C2)(C)C
InChI: InChI=1S/C20H29NO/c1-15-9-8-12-20(3,4)19(15)18(22)13-16(2)21-14-17-10-6-5-7-11-17/h5-11,15-16,19,21H,12-14H2,1-4H3/t15-,16-,19-/m1/s1
SMILES: C[C@H](CCC1(CCC1)S(=O)(=O)C(C)(C)C)C2=CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@@H](C[C@H](C4=C)O)O)C
InChI: InChI=1S/C31H48O4S/c1-21(14-18-31(16-8-17-31)36(34,35)29(3,4)5)26-12-13-27-23(9-7-15-30(26,27)6)10-11-24-19-25(32)20-28(33)22(24)2/h10-12,21,25,27-28,32-33H,2,7-9,13-20H2,1,3-6H3/b23-10+,24-11-/t21-,25+,27+,28-,30-/m1/s1
SMILES: C[C@@]12CCC(=O)C=C1CC[C@@H]3[C@H]2[C@H](C[C@]4([C@@H]3CC[C@]4(C(=O)COC(=O)CCC(=O)NCC5=CC=CS5)O)C)O
InChI: InChI=1S/C30H39NO7S/c1-28-11-9-19(32)14-18(28)5-6-21-22-10-12-30(37,29(22,2)15-23(33)27(21)28)24(34)17-38-26(36)8-7-25(35)31-16-20-4-3-13-39-20/h3-4,13-14,21-23,27,33,37H,5-12,15-17H2,1-2H3,(H,31,35)/t21-,22+,23-,27-,28+,29-,30+/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[C@@]3(C[C@H]([C@@H](C4)OC(=O)C)F)C)O)C
InChI: InChI=1S/C29H49FO3/c1-17(2)8-7-9-18(3)21-10-11-22-20-14-26(32)24-15-27(33-19(4)31)25(30)16-29(24,6)23(20)12-13-28(21,22)5/h17-18,20-27,32H,7-16H2,1-6H3/t18-,20+,21-,22+,23+,24?,25-,26-,27-,28-,29-/m1/s1
SMILES: CC1=CC(=O)[C@@H]2C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C)[C@@H]([C@@]2(C1=O)C)C5=C(C=CC(=C5)Cl)O
InChI: InChI=1S/C23H22ClN3O5/c1-11-8-18(29)15-10-16-13(6-7-26-21(31)25(3)22(32)27(16)26)19(23(15,2)20(11)30)14-9-12(24)4-5-17(14)28/h4-6,8-9,15-16,19,28H,7,10H2,1-3H3/t15-,16+,19+,23+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C[NH2+][C@@H](C2=CC=CC=C2)C3=CC=CO3
InChI: InChI=1S/C21H28N2O2/c1-15-8-6-11-18(16(15)2)23-20(24)14-22-21(19-12-7-13-25-19)17-9-4-3-5-10-17/h3-5,7,9-10,12-13,15-16,18,21-22H,6,8,11,14H2,1-2H3,(H,23,24)/p+1/t15-,16+,18+,21-/m0/s1
SMILES: [B](C#N)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C.CP(C)C1=CC=CC=C1
InChI: InChI=1S/C11H17BN.C8H11P/c1-7-9-4-8(11(9,2)3)5-10(7)12-6-13;1-9(2)8-6-4-3-5-7-8/h7-10H,4-5H2,1-3H3;3-7H,1-2H3/t7-,8+,9-,10-;/m1./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(C)(C)C5=CC=C(O5)C6=CC=NC=C6
InChI: InChI=1S/C42H53N5O5/c1-41(2,3)45-40(51)34-27-47(42(4,5)37-16-15-36(52-37)29-17-19-43-20-18-29)22-21-46(34)26-32(48)24-31(23-28-11-7-6-8-12-28)39(50)44-38-33-14-10-9-13-30(33)25-35(38)49/h6-20,31-32,34-35,38,48-49H,21-27H2,1-5H3,(H,44,50)(H,45,51)/t31-,32+,34+,35-,38+/m1/s1
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CC[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)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI: InChI=1S/C74H108O9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-43-53-70(75)78-61-67(82-71(76)54-44-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)55-56-68-72(79-58-64-47-37-32-38-48-64)74(81-60-66-51-41-34-42-52-66)73(80-59-65-49-39-33-40-50-65)69(83-68)62-77-57-63-45-35-31-36-46-63/h17-20,31-42,45-52,67-69,72-74H,3-16,21-30,43-44,53-62H2,1-2H3/b19-17-,20-18-/t67-,68-,69+,72-,73-,74+/m0/s1
SMILES: CC[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CC=C3O)C(=O)N(C2=O)C4=CC(=CC=C4)Cl)C(=O)[O-]
InChI: InChI=1S/C21H19ClN2O5/c1-2-21(20(28)29)16-15(17(23-21)13-8-3-4-9-14(13)25)18(26)24(19(16)27)12-7-5-6-11(22)10-12/h3-10,15-17,23,25H,2H2,1H3,(H,28,29)/t15-,16+,17-,21-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3
InChI: InChI=1S/C20H24N2O7/c1-12-4-3-5-15(13(12)2)21-19(23)10-27-20(24)7-6-14-8-17-18(29-11-28-17)9-16(14)22(25)26/h6-9,12-13,15H,3-5,10-11H2,1-2H3,(H,21,23)/b7-6+/t12-,13+,15+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCC(=O)O)CN(C)CC=C
InChI: InChI=1S/C28H36N2O6/c1-4-16-30(3)17-24-19(2)27(21-10-8-20(18-31)9-11-21)36-28(35-24)22-12-14-23(15-13-22)29-25(32)6-5-7-26(33)34/h4,8-15,19,24,27-28,31H,1,5-7,16-18H2,2-3H3,(H,29,32)(H,33,34)/t19-,24+,27+,28+/m0/s1
SMILES: CC1=C(C(=CC=C1)[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/C40H31ClFN3O8/c1-19-3-2-4-28(34(19)47)33-25-15-16-27-32(37(50)44(35(27)48)24-13-14-26(38(51)52)31(46)17-24)29(25)18-30-36(49)45(43-23-11-9-22(42)10-12-23)39(53)40(30,33)20-5-7-21(41)8-6-20/h2-15,17,27,29-30,32-33,43,46-47H,16,18H2,1H3,(H,51,52)/t27-,29+,30-,32-,33+,40+/m0/s1
SMILES: COC1=CC=CC=C1N2C(=O)[C@H]3[C@H]4C=C[C@@]([C@@H]3C2=O)(O4)CO
InChI: InChI=1S/C16H15NO5/c1-21-10-5-3-2-4-9(10)17-14(19)12-11-6-7-16(8-18,22-11)13(12)15(17)20/h2-7,11-13,18H,8H2,1H3/t11-,12+,13+,16-/m1/s1
SMILES: CC[C@@H]1C=CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]([C@@H](C)C/C=C/C)OC)O
InChI: InChI=1S/C19H32O4/c1-6-8-9-13(3)19(22-5)14(4)16(20)12-17-15(7-2)10-11-18(21)23-17/h6,8,10-11,13-17,19-20H,7,9,12H2,1-5H3/b8-6+/t13-,14-,15+,16+,17+,19+/m0/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)C(=CC(=O)[C@]5([C@H]4C6=CC=CC(=C6O)CC=C)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C45H37NO6/c1-3-11-29-14-10-17-34(41(29)49)40-32-22-23-33-39(44(52)46(43(33)51)31-20-18-27(19-21-31)26(2)47)36(32)24-37-42(50)35(28-12-6-4-7-13-28)25-38(48)45(37,40)30-15-8-5-9-16-30/h3-10,12-22,25,33,36-37,39-40,49H,1,11,23-24H2,2H3/t33-,36+,37-,39-,40+,45-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC2=CC=CC(=C2)C(=O)C
InChI: InChI=1S/C18H25NO3/c1-12-6-4-9-17(13(12)2)19-18(21)11-22-16-8-5-7-15(10-16)14(3)20/h5,7-8,10,12-13,17H,4,6,9,11H2,1-3H3,(H,19,21)/t12-,13+,17-/m1/s1
SMILES: C[N+]1(CCC[C@H]2[C@@H]1CC(C2)(P(=O)(O)O)P(=O)(O)O)C
InChI: InChI=1S/C10H21NO6P2/c1-11(2)5-3-4-8-6-10(7-9(8)11,18(12,13)14)19(15,16)17/h8-9H,3-7H2,1-2H3,(H3-,12,13,14,15,16,17)/p+1/t8-,9+/m1/s1
SMILES: C1[C@H]2[C@@H](CS1(=O)=O)N(C(=O)N2C3=CC=C(C=C3)Br)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C17H14BrClN2O3S/c18-11-4-6-13(7-5-11)20-15-9-25(23,24)10-16(15)21(17(20)22)14-3-1-2-12(19)8-14/h1-8,15-16H,9-10H2/t15-,16+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4
InChI: InChI=1S/C22H25N3OS2/c1-14-7-6-10-18(15(14)2)25-20(26)12-27-21-17-11-19(16-8-4-3-5-9-16)28-22(17)24-13-23-21/h3-5,8-9,11,13-15,18H,6-7,10,12H2,1-2H3,(H,25,26)/t14-,15-,18-/m1/s1
SMILES: CC(=O)OCC1=C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
InChI: InChI=1S/C18H20N2O2/c1-11(21)22-10-12-6-15-14-4-3-5-16-18(14)13(8-19-16)7-17(15)20(2)9-12/h3-6,8,15,17,19H,7,9-10H2,1-2H3/t15-,17-/m1/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+]4CCCC[C@@H]4CO
InChI: InChI=1S/C21H33NO3/c1-14-6-5-8-21(2)11-19-16(10-18(14)21)17(20(24)25-19)12-22-9-4-3-7-15(22)13-23/h15-19,23H,1,3-13H2,2H3/p+1/t15-,16-,17-,18-,19-,21-/m1/s1
SMILES: CCCCC1(O[C@H]([C@@H](O1)C2=N[C@H](CO2)C(C)C)C3=N[C@H](CO3)C(C)C)CCCC
InChI: InChI=1S/C23H40N2O4/c1-7-9-11-23(12-10-8-2)28-19(21-24-17(13-26-21)15(3)4)20(29-23)22-25-18(14-27-22)16(5)6/h15-20H,7-14H2,1-6H3/t17-,18-,19-,20-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](CC=C([C@@H]2C4=CC(=C(C(=C4)Cl)O)OC)C=C)C(=O)N(C3=O)NC5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C30H25Cl3N2O5/c1-4-16-5-11-21-28(37)35(34-24-12-8-19(31)15-22(24)32)29(38)30(21,18-6-9-20(39-2)10-7-18)26(16)17-13-23(33)27(36)25(14-17)40-3/h4-10,12-15,21,26,34,36H,1,11H2,2-3H3/t21-,26+,30+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OCCCCCCCCCCC(=O)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H40O12/c1-16(26)33-15-20-22(34-17(2)27)23(35-18(3)28)24(36-19(4)29)25(37-20)32-14-12-10-8-6-5-7-9-11-13-21(30)31/h20,22-25H,5-15H2,1-4H3,(H,30,31)/t20-,22-,23+,24-,25?/m1/s1
SMILES: C[C@]12CCCCC1=C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)F)C)O
InChI: InChI=1S/C19H27FO2/c1-18-7-4-3-5-11(18)9-15(21)16-12(18)6-8-19(2)13(16)10-14(20)17(19)22/h9,12-16,21H,3-8,10H2,1-2H3/t12-,13-,14+,15-,16+,18-,19-/m0/s1
SMILES: CC1(O[C@@H]([C@]2(O1)C(=O)O[C@H]3[C@@]2(O[C@H](OC3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)[C@H](C6(SCCCS6)C)O)C
InChI: InChI=1S/C30H34O9S2/c1-27(2)37-23(22(31)28(3)40-15-10-16-41-28)30(39-27)26(33)36-21-18-34-24(20-13-8-5-9-14-20)38-29(21,30)25(32)35-17-19-11-6-4-7-12-19/h4-9,11-14,21-24,31H,10,15-18H2,1-3H3/t21-,22-,23-,24+,29-,30+/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)NCC1=CC=C(C=C1)C2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CN4CCC5=CC(=C(C=C5C4)OC)OC
InChI: InChI=1S/C47H68N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-45(51)48-31-36-19-25-39(26-20-36)47-54-44(35(2)46(55-47)38-23-21-37(34-50)22-24-38)33-49-28-27-40-29-42(52-3)43(53-4)30-41(40)32-49/h19-26,29-30,35,44,46-47,50H,5-18,27-28,31-34H2,1-4H3,(H,48,51)/t35-,44+,46+,47?/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C18H20N2O5/c1-11-4-2-3-7-18(11)16(22)20(17(23)19-18)9-13(21)12-5-6-14-15(8-12)25-10-24-14/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,19,23)/t11-,18+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CN6CCC(CC6)N7C8=CC=CC=C8NC7=O
InChI: InChI=1S/C45H48F3N5O6/c1-28-39(26-51-21-18-35(19-22-51)53-37-12-3-2-11-36(37)50-44(53)57)58-42(59-40(28)31-16-14-29(27-54)15-17-31)34-10-5-9-33(24-34)32-8-4-7-30(23-32)25-49-41(55)38-13-6-20-52(38)43(56)45(46,47)48/h2-5,7-12,14-17,23-24,28,35,38-40,42,54H,6,13,18-22,25-27H2,1H3,(H,49,55)(H,50,57)/t28-,38-,39+,40+,42+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]
InChI: InChI=1S/C14H19N3O3/c1-9-4-2-3-5-11(9)16-12-7-6-10(14(15)18)8-13(12)17(19)20/h6-9,11,16H,2-5H2,1H3,(H2,15,18)/t9-,11-/m0/s1
SMILES: CC1=CC[C@@H]([C@@H]2[C@H]1C(=C(N(C)C)N(C)C)C2=O)C(C)C
InChI: InChI=1S/C17H28N2O/c1-10(2)12-9-8-11(3)13-14(12)16(20)15(13)17(18(4)5)19(6)7/h8,10,12-14H,9H2,1-7H3/t12-,13+,14-/m1/s1
SMILES: CC(C)(C)[C@H]1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)C(=O)OC
InChI: InChI=1S/C25H26N4O2/c1-24(2,3)17-9-10-18-19(11-17)21(15-5-7-16(8-6-15)23(30)31-4)25(13-27,14-28)22(29)20(18)12-26/h5-8,10,17,19,21H,9,11,29H2,1-4H3/t17-,19-,21+/m0/s1
SMILES: CO[C@H]1C[C@H](C[C@@H]([C@H]1[N+](=O)[O-])C2=CN=C(C=C2)Cl)O
InChI: InChI=1S/C12H15ClN2O4/c1-19-10-5-8(16)4-9(12(10)15(17)18)7-2-3-11(13)14-6-7/h2-3,6,8-10,12,16H,4-5H2,1H3/t8-,9+,10-,12+/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]([C@@H](C2=O)CC3=CC=CC=C3)COC(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H23NO4/c1-29-21-14-12-20(13-15-21)26-23(17-30-25(28)19-10-6-3-7-11-19)22(24(26)27)16-18-8-4-2-5-9-18/h2-15,22-23H,16-17H2,1H3/t22-,23+/m0/s1
SMILES: C1[C@@H]2C=CO[C@H]([C@@H]2[C@@]3([C@H]1O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C15H22O9/c16-4-7-10(18)11(19)12(20)14(22-7)23-13-9-6(1-2-21-13)3-8-15(9,5-17)24-8/h1-2,6-14,16-20H,3-5H2/t6-,7+,8-,9+,10+,11-,12+,13-,14-,15-/m0/s1
SMILES: C1=CC(=CC=C1C(=O)NN[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)O
InChI: InChI=1S/C13H18N2O7/c16-5-8-9(18)10(19)11(20)13(22-8)15-14-12(21)6-1-3-7(17)4-2-6/h1-4,8-11,13,15-20H,5H2,(H,14,21)/t8-,9+,10+,11-,13-/m0/s1
SMILES: CC(C)NC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C26H39NO4/c1-19(2)27-26(31)13-9-4-3-8-12-22-23(25(30)18-24(22)29)17-16-21(28)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,16-17,19,21-25,28-30H,4,9,12-15,18H2,1-2H3,(H,27,31)/b8-3+,17-16+/t21-,22+,23+,24-,25+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](N=C(N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C21H17ClN2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14,19-20H,(H,23,24)/t19-,20-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)NC7=CC=CC=C7)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C40H35N3O6/c1-40-32(37(46)43(39(40)48)25-11-7-4-8-12-25)22-30-28(35(40)31-21-27(49-2)17-20-33(31)44)18-19-29-34(30)38(47)42(36(29)45)26-15-13-24(14-16-26)41-23-9-5-3-6-10-23/h3-18,20-21,29-30,32,34-35,41,44H,19,22H2,1-2H3/t29-,30+,32-,34-,35+,40+/m0/s1
SMILES: CCOCC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=C(C=C(C=C4I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C29H33IN2O10/c1-3-39-15-26(35)32(13-17-4-5-22-23(9-17)41-16-40-22)21-11-19(29(37)31-6-7-33)12-24(27(21)36)42-28-20(30)8-18(14-34)10-25(28)38-2/h4-5,8-10,12,14,21,24,27,33,36H,3,6-7,11,13,15-16H2,1-2H3,(H,31,37)/t21-,24+,27+/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)NC(=O)C4=CC=CC=C4)CN5CCC[C@H]5C(=O)OC(C)(C)C
InChI: InChI=1S/C35H42N2O6/c1-23-30(21-37-20-8-11-29(37)33(40)43-35(2,3)4)41-34(42-31(23)25-14-12-24(22-38)13-15-25)27-16-18-28(19-17-27)36-32(39)26-9-6-5-7-10-26/h5-7,9-10,12-19,23,29-31,34,38H,8,11,20-22H2,1-4H3,(H,36,39)/t23-,29-,30+,31+,34+/m0/s1
SMILES: C1C[C@H]2C(=C([C@@H]1[C@@]2(C3=CC=CC=C3)C4=CC=CC=N4)[N+]#N)O
InChI: InChI=1S/C18H15N3O/c19-21-16-13-9-10-14(17(16)22)18(13,12-6-2-1-3-7-12)15-8-4-5-11-20-15/h1-8,11,13-14H,9-10H2/p+1/t13-,14+,18-/m1/s1
SMILES: CC1=C(C(=CC=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(C2=O)C4=CC(=CC=C4)Cl)C
InChI: InChI=1S/C19H19ClN2O3S/c1-12-5-3-8-16(13(12)2)22-18-11-26(24,25)10-17(18)21(19(22)23)15-7-4-6-14(20)9-15/h3-9,17-18H,10-11H2,1-2H3/t17-,18+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3
InChI: InChI=1S/C17H24N6OS/c1-11-5-3-7-14(12(11)2)20-15(24)10-25-17-22-21-16(23(17)18)13-6-4-8-19-9-13/h4,6,8-9,11-12,14H,3,5,7,10,18H2,1-2H3,(H,20,24)/t11-,12+,14+/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)OCC#C)O)C(=O)O)O)O)O
InChI: InChI=1S/C20H31NO15/c1-3-4-33-19(31)21-11-8(23)5-20(18(29)30,36-16(11)12(25)9(24)6-22)34-7-10-13(26)14(27)15(28)17(32-2)35-10/h1,8-17,22-28H,4-7H2,2H3,(H,21,31)(H,29,30)/t8-,9+,10+,11+,12+,13-,14-,15+,16+,17+,20+/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5)CN7C=NC(=C7Cl)Cl
InChI: InChI=1S/C33H38Cl2N4O4/c1-19-27(16-39-18-36-29(34)30(39)35)42-31(43-28(19)24-7-5-20(17-40)6-8-24)25-3-2-4-26(12-25)37-32(41)38-33-13-21-9-22(14-33)11-23(10-21)15-33/h2-8,12,18-19,21-23,27-28,31,40H,9-11,13-17H2,1H3,(H2,37,38,41)/t19-,21?,22?,23?,27+,28+,31+,33?/m1/s1
SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22?/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O
InChI: InChI=1S/C16H14N2O6/c19-14-12-7-1-2-8(5-7)13(12)15(20)17(14)11-6-9(18(23)24)3-4-10(11)16(21)22/h3-4,6-8,12-13H,1-2,5H2,(H,21,22)/t7-,8+,12-,13-/m0/s1
SMILES: [2H]C1[C@@H]([C@H](/C(=C/C2=CC=CC=C2)/C3=C1C=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C)C(C)(C)C
InChI: InChI=1S/C37H41P/c1-36(2,3)32-26-28-19-16-24-33(38(29-20-12-8-13-21-29)30-22-14-9-15-23-30)34(28)31(35(32)37(4,5)6)25-27-17-10-7-11-18-27/h7-25,32,35H,26H2,1-6H3/b31-25+/t32-,35-/m0/s1/i26D/t26?,32-,35-
SMILES: C[C@]12CC[C@]([C@@H]1Br)(C2(C)C)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C17H19BrF3NO/c1-14(2)15(3)7-8-16(14,12(15)18)13(23)22-11-6-4-5-10(9-11)17(19,20)21/h4-6,9,12H,7-8H2,1-3H3,(H,22,23)/t12-,15+,16-/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)N
InChI: InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)10(6(2-23)34-15)36-16-11(38-41(28,29)30)8(24)9(5(1-22)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8+,9-,10-,11-,12-,15-,16-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2C[NH+](CC3)C)C(=O)C4CCC(CC4)C(C)(C)C
InChI: InChI=1S/C24H36N2O/c1-16-6-11-21-19(14-16)20-15-25(5)13-12-22(20)26(21)23(27)17-7-9-18(10-8-17)24(2,3)4/h6,11,14,17-18,20,22H,7-10,12-13,15H2,1-5H3/p+1/t17?,18?,20-,22+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C
InChI: InChI=1S/C21H29N3O2S2/c1-6-10-24-20(26)18-14(4)15(5)28-19(18)23-21(24)27-11-17(25)22-16-9-7-8-12(2)13(16)3/h6,12-13,16H,1,7-11H2,2-5H3,(H,22,25)/t12-,13-,16+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@H]2CC[C@@H](CC2=CC1=O)OC(=O)[C@](C3=CC=CC=C3)(C(F)(F)F)OC)CCC(=O)OC
InChI: InChI=1S/C25H29F3O6/c1-15-19(11-12-22(30)32-2)20-10-9-18(13-16(20)14-21(15)29)34-23(31)24(33-3,25(26,27)28)17-7-5-4-6-8-17/h4-8,14-15,18-20H,9-13H2,1-3H3/t15-,18+,19+,20+,24-/m1/s1