CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC | -5.7 | -23.94 |
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC | -5.37 | -19.17 |
CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)S[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC | -5.19 | -15.24 |
[Na+].[Na+].Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O | -0.78 | -9.41 |
O.C1C=CCN1C=CC=CC=[N+]1CC=CC1.C1C=CCN1C=CC=CC=[N+]1CC=CC1.OC(=O)c1cc2ccccc2c(Cc2c([O-])c(cc3ccccc23)C(O)=O)c1[O-] | 0.09 | -6.09 |
OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O | -0.55 | -6.09 |
[Na+].[Na+].OC(COc1cccc2oc(cc(=O)c12)C([O-])=O)COc1cccc2oc(cc(=O)c12)C([O-])=O | 0.29 | -5.23 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C | -3.9 | -9.3 |
[Na+].CCc1cc(c2cc(cccc12)C(C)C)S([O-])(=O)=O | -0.76 | -5.96 |
Cl.CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1 | -0.14 | -5.15 |
CCCCCCCCCCCCCCCCCCCCCCCCCC | -8.33 | -13.27 |
[Na+].COc1cccc(OC)c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O | -0.13 | -4.95 |
CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2[C@H](Oc3cccc4c(O)c5c6c(oc(=O)c7c(C)ccc(oc5=O)c67)c34)O[C@H](C)[C@H](O)[C@@H]2O)[C@@H]1O | -2.15 | -6.91 |
Cl.C\N=C1\CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1 | 0.35 | -4.39 |
[Na+].[Na+].[O-]S(=O)c1ccc2cccc(SSSc3cccc4ccc(cc34)S([O-])=O)c2c1 | -4.13 | -8.73 |
[Cl-].[Cl-].O=[NH+]C=c1ccn(COCn2ccc(=C[NH+]=O)cc2)cc1 | -0.32 | -4.83 |
[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C([O-])=O | -0.31 | -4.79 |
O.O.O.O.CC(=CC=CN1CCCCC1)C=[N+]1CCCCC1.CC(=CC=CN1CCCCC1)C=[N+]1CCCCC1.OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O | -1.66 | -6.09 |
[Na+].[Na+].[S-]C(=S)NCCCCCCNC([S-])=S | 0.16 | -4.24 |
O.[Na+].[Na+].[O-]C(=O)c1ccccc1-c1c2cc(Br)c(=O)cc2oc2c([Hg])c([O-])c(Br)cc12 | -1.57 | -5.98 |
CN1CCCN(CC1)C(=S)SSC(=S)N1CCCN(C)CC1 | 0.19 | -4.16 |
[Na+].CCCCCCCCCCCCOS([O-])(=O)=O | -0.46 | -4.8 |
Cl[C@]12C(=O)[C@]3(Cl)[C@]4(Cl)[C@@]1(Cl)[C@]1(Cl)[C@@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C1(Cl)Cl | -5.26 | -9.55 |
[Na+].CCOc1ccc2ccccc2c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O | -2.78 | -7.05 |
[Na+].CC(=O)Nc1c(I)cc(I)c(C([O-])=O)c1I | 0.21 | -4 |
[K+].CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C([O-])=O | -0.79 | -4.96 |
OC(=O)C1=C(CN2C=CC=C=C2)CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N12 | -1.32 | -5.47 |
O.O.O.[Na+].[Na+].[O-]S(=O)c1cc(Cl)ccc1-c1ccc(Cl)c(SSSc2cc(ccc2Cl)-c2ccc(Cl)cc2S([O-])=O)c1 | -7.62 | -11.77 |
CC1CCN(CC1)C=CC=CC=[N+]1CCC(C)CC1.CC1CCN(CC1)C=CC=CC=[N+]1CCC(C)CC1.OC(=O)c1cc2ccccc2c(Cc2c([O-])c(cc3ccccc23)C(O)=O)c1[O-] | -1.96 | -6.09 |
[Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc1ccncc1)C2=O)C([O-])=O | 0.35 | -3.72 |
[K+].CC(Oc1ccccc1)C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O | -1.25 | -5.31 |
[Cl-].Cn1ccn(COCc2cccc3ccccc23)\c1=C\[NH+]=O | -1.31 | -5.37 |
Cl.CN(C)CCCN1c2ccccc2Sc2ccccc12 | -0.11 | -4.13 |
[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C([O-])=O | -0.54 | -4.56 |
O.O.C1CCCN(CC1)\C=C\C=C\C=[N+]1CCCCCC1.C1CCCN(CC1)\C=C\C=C\C=[N+]1CCCCCC1.OC(=O)c1cc2ccccc2c(Cc2c([O-])c(cc3ccccc23)C(O)=O)c1[O-] | -2.1 | -6.09 |
CCCC(C)(COC(=O)Nc1ccc(OCC)cc1)COC(=O)Nc1ccc(OCC)cc1 | -1.96 | -5.9 |
[K+].CCC(Oc1ccccc1)C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O | -1.77 | -5.67 |
[Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=Cc2cc(ccc2C(=NNc2ccc(c3ccccc23)S([O-])(=O)=O)C1=O)S([O-])(=O)=O | -1 | -4.87 |
[K+].CC1(C)S[C@@H]2[C@H](N3C(=O)[C@H](NC3(C)C)c3ccccc3)C(=O)N2[C@H]1C([O-])=O | -1.48 | -5.33 |
CCN(CCC#N)c1ccc(cc1)\N=N\c1ccc(cc1)[N+]([O-])=O | -0.91 | -4.74 |
Nc1ccc2cc3ccc(N)cc3nc2c1 | 0.38 | -3.45 |
Brc1ccc(cc1)N=C=S | -0.27 | -4.07 |
[Na+].CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C([O-])=O)c1I | -0.03 | -3.82 |
CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 | -2.05 | -5.8 |
[Na+].COc1ccc(cc1)C(=O)C(Br)=CC([O-])=O | 0.51 | -3.22 |
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(O)=O)c2I)c1I | -0.18 | -3.9 |
[Cl-].O=[NH+]C=c1ccn(COCCC#C)cc1 | 0.62 | -3.08 |
[Na+].CCCCCCC1(CC)C(=O)NC([O-])=NC1=O | -0.05 | -3.75 |
Cl[C@]12[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)[C@](Cl)([C@]1(Cl)C4(Cl)Cl)[C@@]2(Cl)C(Cl)(Cl)[C@]35Cl | -6.8 | -10.48 |
COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC | -0.95 | -4.6 |
S=C(SSC(=S)N1CCOCC1)N1CCOCC1 | -1.35 | -4.99 |
O[C@H](C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccc(cc1)-c1ccc(Br)cc1 | -4.45 | -8.08 |
C1CN1c1nc(nc(n1)N1CC1)N1CC1 | 0.29 | -3.3 |
O.CCCCCCCC(CC(=O)OC(CCCCCCC)CC(O)=O)OC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)C1O | -2.27 | -5.82 |
CNC(=O)[C@@H](C)SCCSP(=O)(OC)OC | 1.14 | -2.41 |
[Na+].[Na+].Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)cnc2[nH]1 | 0.31 | -3.21 |
[Cl-].CCC\C=C\COCn1ccn(C)\c1=C\[NH+]=O | -0.59 | -4.1 |
CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1 | 0.1 | -3.4 |
OCC(O)COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12 | -0.97 | -4.43 |
NC(=S)NC(=S)Nc1ccccc1 | -0.37 | -3.8 |
OP(O)(O)=O.OP(O)(O)=O.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | -0.31 | -3.74 |
[Na+].[O-]C1=CC(=O)c2ccccc2C1=O | 0.71 | -2.7 |
S=C1SCCS1 | 0.31 | -3.09 |
[Cl-].Cn1ccn(COCc2ccccc2)\c1=C/[NH+]=O | -0.14 | -3.52 |
OC(=O)c1ccccc1[I]=O | 0.51 | -2.87 |
COC1(C)CC(c2ccccc2)c2c(O1)c1ccccc1oc2=O | -1.51 | -4.88 |
[Cl-].Cn1ccn(COCC#C)c1=C[NH+]=O | 0.64 | -2.72 |
[Na+].[Na+].[Na+].OC(=O)C1=C\C(C=CC1=O)=C(/c1ccc([O-])c(c1)C(O)=O)c1ccc([O-])c(c1)C([O-])=O | -1.21 | -4.56 |
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC | -5.11 | -8.45 |
[Cl-].Cn1ccn(COCC=Cc2ccccc2)\c1=C/[NH+]=O | -0.97 | -4.31 |
[Cl-].Cn1ccn(COC2CCCCCCCCCCC2)\c1=C\[NH+]=O | -3.07 | -6.4 |
[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4CCCc4c3)c3ccccc3)C(=O)N2[C@H]1C([O-])=O | -4.41 | -7.71 |
Cl.CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1 | -0.26 | -3.56 |
OC(O)C(Cl)(Cl)Cl | 1.7 | -1.59 |
Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C22OC(=O)c3ccccc23)c1I | -3.08 | -6.36 |
Cl.Cl.CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 | -0.52 | -3.79 |
Cl.C(C1=NCCN1)c1cccc2ccccc12 | 0.21 | -3.06 |
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O | -1.54 | -4.79 |
[Cl-].Cn1ccn(COCCC#C)c1=C[NH+]=O | 0.61 | -2.63 |
[Na+].CCC1(CCC(C)C)C(=O)NC([O-])=NC1=O | 0.05 | -3.17 |
Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | -3.46 | -6.62 |
Cn1c(NS(=O)(=O)c2ccc(N)cc2)nc2c(Cl)nc(Cl)nc12 | -2.55 | -5.71 |
COC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O | -0.85 | -4 |
[Cl-].CCCC(OCn1ccn(C)\c1=C\[NH+]=O)c1ccccc1 | -1.45 | -4.58 |
OS([O-])(=O)=O.CC[NH+](CC)c1ccc2c(C)cc(=O)oc2c1 | -0.57 | -3.69 |
[Cl-].Cn1ccn(COCC=C)c1=C[NH+]=O | 0.64 | -2.48 |
[Cl-].Cn1ccn(COCC2CCCCC2)c1=C[NH+]=O | -1.2 | -4.3 |
Cl.CN1CCN=C(c2ccccc2)c2cc(Cl)ccc12 | -1.39 | -4.48 |
OC1=C(C(=O)O\C1=C1\C(=O)Oc2ccccc12)c1ccccc1 | -1.77 | -4.84 |
[Na+].C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC([O-])=O | -1.81 | -4.89 |
[Cl-].C[NH+]1C=CN(COC2CCCCCC2)\C1=C/[NH+]=O | -0.82 | -3.89 |
O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O | -1.73 | -4.79 |
[Cl-].Cn1ccn(COC2CCCCC2)c1=C[NH+]=O | -0.33 | -3.38 |
[Na+].[O-]c1c(Cl)c(Cl)nc(Cl)c1Cl | -1.24 | -4.29 |
[Cl-].CCCC(CC)OCn1ccn(C)\c1=C\[NH+]=O | -0.48 | -3.52 |
[Cl-].Cn1ccn(COC(CCC=C)CC=C)\c1=C/[NH+]=O | -0.86 | -3.89 |
[Cl-].CC(OCn1ccn(C)\c1=C\[NH+]=O)C1CCCCC1 | -1.44 | -4.47 |
[Cl-].CCC(C)C(C)OCn1ccn(C)\c1=C\[NH+]=O | -0.56 | -3.59 |
CN(C(C)=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1I | -0.2 | -3.21 |
[Cl-].[Cl-].O=[NH+]C=c1ccn(CCCn2ccc(=C[NH+]=O)cc2)cc1 | -2.09 | -5.1 |
[Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CC#N)C2=O)C([O-])=O | 0.44 | -2.56 |
[Na+].[O-]c1ccc(cc1)N=C1C=CC(=O)C=C1 | -0.08 | -3.08 |
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1 | -1.1 | -4.09 |
Cl.OC(CNc1ccccn1)c1ccccc1 | 0.6 | -2.38 |
O=C1c2ccccc2-c2ccc3c4ccc5-c6ccccc6C(=O)c6ccc(c7ccc1c2c37)c4c56 | -11.51 | -14.48 |
C[C@@H]1O[C@@]11C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | -0.09 | -3.05 |
N[C@@H](C(=O)N[C@H]1[C@H]2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 | -1.57 | -4.47 |
[Cl-].Cc1cc[nH+]c2ccccc12 | 0.41 | -2.49 |
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O | -1.21 | -4.11 |
Nc1nc(=S)c2[nH]cnc2[nH]1 | -0.66 | -3.55 |
[Cl-].[Cl-].N\C(CSSC\C(N)=[NH+]\CC1CCCC1)=[NH+]\CC1CCCC1 | -2.33 | -5.22 |
S=c1nc[nH]c2nc[nH]c12 | -0.35 | -3.23 |
CCN(CC)C(=O)C(\Cl)=C\COP(=O)(OC)OC | 0.52 | -2.36 |
CCCC(C)(CO)COC(=O)N(C)C(C)Cc1ccccc1 | -0.33 | -3.2 |
[Cl-].CCCCCCOCN1C=C[NH+](C)\C1=C\[NH+]=O | -1.12 | -3.98 |
NNc1nnc(NN)c2ccccc12 | 0.05 | -2.79 |
[Cl-].CC(C)OCn1ccn(C)\c1=C\[NH+]=O | 0.63 | -2.21 |
Cl.COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 | 0.26 | -2.58 |
[Na+].CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O | -0.89 | -3.73 |
[Cl-].CCCCCCCCOCn1ccn(C)c1=C[NH+]=O | -2.17 | -5 |
CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(OC)n1 | -2.54 | -5.37 |
Cl.CNC1(CCCCC1=O)c1ccccc1Cl | -0.14 | -2.96 |
O.O.O.[Na+].[Na+].[O-]S(=O)c1ccccc1CSSCc1ccccc1S([O-])=O | -1.15 | -3.97 |
[Cl-].Cn1ccn(COCCCCc2ccccc2)\c1=C/[NH+]=O | -1.53 | -4.35 |
[Na+].CCC(C)C1(CC)C(=O)NC([O-])=NC1=O | 0.15 | -2.65 |
Cl.C1CN=C(N1)C1CCCc2ccccc12 | 0.26 | -2.52 |
O=C1C=C(NCCNCc2ccncc2)C(=O)c2cccnc12 | 0.51 | -2.26 |
[Cl-].Cn1ccn(COCCCc2ccccc2)\c1=C\[NH+]=O | -1.08 | -3.84 |
COC1=C(OC)C(=O)\C(C=C1)=c1\c(C)c([nH]c(-c2ccc3C(=O)C(OC)=C(N)C(=O)c3n2)c1N)C(O)=O | -1.04 | -3.8 |
[Na+].O=c1[nH]c2nc[n-]c2c(=O)[nH]1 | 0.76 | -2 |
O.O.O.[Na+].CCN(CC)C([S-])=S | 0.65 | -2.11 |
[Cl-].[Cl-].N\C(CSSC\C(N)=[NH+]\CC1CCCCCC1)=[NH+]\CC1CCCCCC1 | -4.41 | -7.16 |
[Na+].[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COP([O-])([O-])=O | 0.31 | -2.43 |
S=c1[nH]nc(o1)-c1ccccc1 | -1.69 | -4.43 |
[Na+].CCCC(CCC)C([O-])=O | 0.31 | -2.42 |
Clc1ccc(cc1)C(C(=O)C1C(=O)c2ccccc2C1=O)c1ccccc1 | -3.57 | -6.31 |
CC(O)C([O-])=O.Cn1cccc\c1=C/[NH+]=O | 0.65 | -2.09 |
[K+].CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O | -1.01 | -3.73 |
CS([O-])(=O)=O.Cn1cccc\c1=C/[NH+]=O | 0.63 | -2.09 |
Cl.Nc1c2ccccc2nc2ccccc12 | -0.9 | -3.62 |
Cl.CCC(C)(CN(C)C)OC(=O)c1ccccc1 | 0.09 | -2.63 |
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O | -3.4 | -6.11 |
[Na+].[Na+].Oc1ccc2cc(cc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O | 0.46 | -2.25 |
[Na+].[S-]C(=S)N1CCOCC1 | 0.73 | -1.98 |
[Na+].[O-]c1ccc(cc1)N=C1C=C(Cl)C(=O)C(Cl)=C1 | -1.43 | -4.13 |
Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1 | 0.54 | -2.17 |
Cl.CC(C)NCC(O)c1ccc2ccccc2c1 | -0.69 | -3.38 |
[Na+].CC(=O)NCCSSc1cc(Cl)ccc1-c1ccc(Cl)cc1S([O-])=O | -4.06 | -6.75 |
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1ncnc2nc[nH]c12 | -2.09 | -4.77 |
[Cl-].CCOCN1C=C[NH+](C)C1=C[NH+]=O | 0.66 | -2.03 |
OC(=O)CCN1C(=O)CSC1=S | 0.2 | -2.48 |
[Cl-].[Cl-].N\C(CSSC\C(N)=[NH+]\CC1CCCCCCC1)=[NH+]\CC1CCCCCCC1 | -5.45 | -8.11 |
CN1C(=O)CSC1=S | 0.4 | -2.26 |
[Cl-].CC(CC(C)(C)C)OCn1ccn(C)\c1=C\[NH+]=O | -1.07 | -3.73 |
[Na+].CCCCCCCCC=CCCCCCCCC([O-])=O | -4.77 | -7.42 |
Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1 | -0.46 | -3.11 |
Cl.COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C | 0.32 | -2.32 |
ON1CC(=N)N=c2ccc(Cl)cc2=C1c1ccccc1 | -2.1 | -4.74 |
[Na+].CCCC(C)C1(CC)C(=O)NC([S-])=NC1=O | -1.44 | -4.07 |
[Cl-].[Cl-].N\C(CSSC\C(N)=[NH+]\CCC1CCCCCC1)=[NH+]\CCC1CCCCCC1 | -5.45 | -8.08 |
[Cl-].[Cl-].N\C(CSSC\C(N)=[NH+]\CCCC1CCCCC1)=[NH+]\CCCC1CCCCC1 | -5.45 | -8.08 |
[Na+].[O-]c1ccc(cc1Cl)N=C1C=C(Cl)C(=O)C(Cl)=C1 | -2.23 | -4.86 |
O=C1NC(=S)S\C1=C\c1ccccc1 | -1.78 | -4.4 |
Cn1cnc(c1Sc1nc(N)nc2nc[nH]c12)[N+]([O-])=O | -2.54 | -5.15 |
S=C1NC(=S)C(N1)(c1ccccc1)c1ccccc1 | -2.71 | -5.32 |
[Cl-].CCCNc1ccc(cc1)C(=O)OCC(O)C[NH+](C)C | 0.5 | -2.1 |
Cl.NCCc1c[nH]c2ccccc12 | 0.7 | -1.9 |
OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O | 0.65 | -1.95 |
Cl.O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1 | -1.64 | -4.23 |
[Na+].[Na+].[O-]C(=O)CCCCCCCCC([O-])=O | 0.61 | -1.96 |
COc1cc2CC[C@H](N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC | -1.74 | -4.3 |
Nc1nc(=S)nc(N)[nH]1 | -0.63 | -3.18 |
[Na+].CCCC[C-]1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 | -2.26 | -4.8 |
CN1CCC(CC(=O)NC2C=CC(OC2C(O)=O)n2ccc(N)nc2=O)N=C1N | 0.15 | -2.39 |
O=C1C=CC=CC1=c1[nH]nco1 | 0.14 | -2.38 |
Cc1cccc(C)c1NC(=O)CN(CC(O)=O)CC(O)=O | 0.47 | -2.05 |
OCN(CO)c1ncc(\C=C\c2ccc(o2)[N+]([O-])=O)nn1 | -1 | -3.52 |
COc1cc2CC[C@H](N)c3cc(=O)c(O)ccc3-c2c(OC)c1OC | -1.39 | -3.9 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | -0.6 | -3.1 |
CC1SC(=S)N(C1=O)c1ccc(Cl)cc1 | -2.52 | -5.02 |
CCN1C(=O)CSC1=S | -0.12 | -2.62 |
O.OS(=O)(=O)c1ccc2ccccc2c1.CCC(=O)O[C@](Cc1ccccc1)([C@@H](C)CN(C)C)c1ccccc1 | -1.69 | -4.17 |
O=C1OC2(CCC22OC(=O)C=C2)C=C1 | -0.43 | -2.9 |
NC(CSS(O)(=O)=O)=NCCC1CCCCCC1 | -1.24 | -3.71 |
Clc1cc(cc(Cl)n1)C(=O)N1CCOC1 | -1.43 | -3.89 |
Clc1cc(cc(Cl)n1)C(=O)N1CCOCC1 | -1.48 | -3.94 |
CCC(C)NC(=S)C(=S)NC(C)CC | -1.54 | -3.99 |
[Na+].CCCC(C)C1(CC=C)C(=O)NC([S-])=NC1=O | -1.83 | -4.27 |
C\C=C\C1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O | -2.05 | -4.49 |
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 | -0.37 | -2.8 |
Cl.NCC(=O)c1ccccc1 | 0.77 | -1.66 |
CN1CC(O)C2=CC(=O)C(=O)C=C12 | 0.75 | -1.67 |
[Na+].CC(C)c1ccc(C)c2c(cc(C)c2c1)S([O-])(=O)=O | -3.45 | -5.87 |
Cl.COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 | -2.48 | -4.88 |
O[C@H]([C@@H](O)C(O)=O)C(O)=O.COc1cc2CC[C@H](N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC | -1.89 | -4.3 |
Oc1c([C@H]2CCCc3ccccc23)c(=O)oc2ccccc12 | -2.84 | -5.25 |
Cl.Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 | -0.4 | -2.8 |
[Na+].NC(=S)[N-]N\C=C1/C=CC(=O)C=N1 | -0.46 | -2.87 |
S=c1cccc[nH]1 | 0.1 | -2.3 |
CCOP(=O)(OCC)OP(=O)(OCC)OCC | 0.54 | -1.86 |
[K+].C\C=C\C=C\C([O-])=O | 0.82 | -1.57 |
Cl.Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C | -0.6 | -2.99 |
CCCCN1C(=O)CSC1=S | -1.16 | -3.55 |
Nc1nc(N)nc(n1)-c1cc(Cl)ccc1Cl | -2.75 | -5.13 |
CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(O)=C(C(=O)NCN2CCCC2)C1=O | 0.02 | -2.36 |
[Cl-].Cc1cccc(OCC(N)=[NH2+])c1 | 0.14 | -2.24 |
[Bi+3].CCCCCCCCC=CCCCCCCCC([O-])=O.CCCCCCCCC=CCCCCCCCC([O-])=O.CCCCCCCCC=CCCCCCCCC([O-])=O | -5.04 | -7.42 |
[Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O | -0.99 | -3.36 |
N[C@@H](C(=O)N[C@H]1[C@H]2SCC(CSc3cn[nH]n3)=C(N2C1=O)C(O)=O)c1ccc(O)cc1 | -2.27 | -4.63 |
[Cl-].COCn1ccn(C)\c1=C\[NH+]=O | 0.69 | -1.68 |
ClC(=O)CN1C(=O)c2ccccc2C1=O | -1.01 | -3.37 |
Cl.CCC(C(N)=S)c1ccccn1 | 0.19 | -2.17 |
[Na+].Nc1ccc(cc1)C(=O)NCC([O-])=O | 0.67 | -1.69 |
Cl.Nc1cc(ccc1O)[As](Cl)Cl | 0.54 | -1.82 |
OC(=O)c1c(Cl)ccc(Cl)c1Cl | -1.47 | -3.81 |
NCCCCC(N)C(O)=O.CC(=O)Oc1ccccc1C(O)=O | 0.49 | -1.85 |
OC1OCC=C2OC(=O)C=C12 | 0.81 | -1.52 |
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O | -2.03 | -4.35 |
O=N\C=c1/cccc[nH]1 | 0.63 | -1.69 |
Cl.Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 | -1.2 | -3.52 |
S=c1nc[nH][nH]1 | 0.12 | -2.2 |
Br.CN1[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 | 0.24 | -2.08 |
CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C(O)c2c(O)c3C | -2.77 | -5.09 |
Cl.NN(Cc1ccccc1)c1ccccc1 | -0.9 | -3.21 |
[Na+].CCCC(C)C1(CCSC)C(=O)NC(=S)[N-]C1=O | -1.85 | -4.15 |
Cc1ccc2[nH]c(=O)nc(-c3ccccc3)c2c1 | -2.91 | -5.2 |
S=c1ccc2ccccc2o1 | -1.8 | -4.1 |
Cc1cc(=O)n(-c2ccccc2)n1C | 0.71 | -1.58 |
CSc1c(Cl)nc(N)nc1N1CCN(C)CC1 | -0.95 | -3.23 |
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O | -1.92 | -4.2 |
CC(O)(CN)Sc1ccccc1 | -0.02 | -2.29 |
O=C1CSC(=S)N1c1ccccc1 | -1.26 | -3.53 |
NNC(=O)c1cc(Cl)nc(Cl)c1 | -1.11 | -3.38 |
[Na+].CCC1(CCC(C)C)C(=O)NC(=S)[N-]C1=O | -1.84 | -4.1 |
CC(O)(CN)Sc1ccc(Cl)cc1 | -0.82 | -3.07 |
Cl.NC12CC3CC(CC(C3)C1)C2 | 0.07 | -2.17 |
NC(=O)N(CC(O)=O)\N=C\c1ccc(o1)[N+]([O-])=O | -0.75 | -2.99 |
O=NC=c1cc[nH]cc1 | 0.55 | -1.69 |
OC(=O)C=CC(O)=O.CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1 | -0.39 | -2.63 |
CN1CCCN=C1\C=C\c1cccs1.OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O | -3.85 | -6.09 |
Nc1nnc(o1)-c1ccccc1 | -0.72 | -2.95 |
CN(C)CCO.CC(=O)Nc1ccc(cc1)C(O)=O | 0.57 | -1.66 |
O=c1nc(-c2ccccc2)c2ccccc2[nH]1 | -2.45 | -4.69 |
[Na+].CCC1(CC)C(=O)NC([O-])=NC1=O | 0.56 | -1.67 |
NC(=S)N\N=C\c1ccccn1 | 0.11 | -2.13 |
[Na+].CN(C)C([S-])=S | 0.84 | -1.39 |
Clc1ccc(cc1)N1C(=O)CSC1=S | -2.06 | -4.29 |
O[C@@H]1CSSC[C@H]1O | 0.67 | -1.56 |
O[C@H]1CSSC[C@@H]1O | 0.67 | -1.56 |
OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl | -1.39 | -3.61 |
OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O | 0.41 | -1.8 |
OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 | -0.75 | -2.96 |
C\N=C1\CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1 | -2.18 | -4.39 |
CCC12COP(=O)(OC1)OC2 | 0.43 | -1.78 |
[O-][N+](=O)c1ccc(C=NN2CC(=O)N(C2=O)c2ccccc2)o1 | -2.6 | -4.81 |
Cl.CCCCCCCCCCCCN | -2.4 | -4.6 |
Cl.CN(CC#C)Cc1ccccc1 | 0.06 | -2.14 |
Cl.CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)c1ccccc1 | -2.29 | -4.48 |
CNc1nc(Cl)c(SC)c(n1)N1CCNCC1 | -1.23 | -3.42 |
[Na+].[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl | -2.12 | -4.3 |
Cl.CN(C)[C@H]1[C@@H]2CC3C(=C(O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(O)=C(C(N)=O)C1=O | -0.78 | -2.96 |
CSc1c(Cl)nc(NCCO)nc1N1CCN(C)CC1 | -0.9 | -3.08 |
[Na+].CC[Hg]Sc1ccccc1C([O-])=O | 0.09 | -2.08 |
[Na+].[Na+].[Na+].Oc1cc(cc2cc(cc(\N=N\c3ccc(Nc4ccccc4)c4c(cccc34)S([O-])(=O)=O)c12)S([O-])(=O)=O)S([O-])(=O)=O | -4.25 | -6.42 |
Cl.C[N+]([O-])(CCCl)CCCl | 0.68 | -1.48 |
c1ccc(cc1)-c1nnc(s1)-c1ccccc1 | -3.26 | -5.42 |
COc1ccc(CCNC(=O)c2ccc(cc2)C#CC(C)(C)O)cc1OC | -2.2 | -4.34 |
CCCCCCCCCCCCCCCCCCCC | -8.17 | -10.31 |
NC(=N)c1ccc(\C=C\c2ccc(cc2)C(N)=N)cc1 | -2.87 | -5 |
O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1 | -0.33 | -2.46 |
NC(=N)c1ccc(C=Cc2ccc(cc2)C(N)=N)cc1 | -2.87 | -5 |
CC(=O)Oc1c(cccc1-c1ccccc1)C(N)=O | -2.23 | -4.36 |
CNc1nc(Cl)c(SC)c(n1)N1CCN(CCO)CC1 | -0.9 | -3.03 |
Cl.CN(C)CCC(=O)c1ccccc1 | 0.43 | -1.68 |
CCCCc1c(C)[nH]c(=S)[nH]c1=O | -2.37 | -4.47 |
[Na+].CCCCCCCCOS([O-])(=O)=O | -0.66 | -2.74 |
CCN(C(N)=O)c1ccccc1C | -0.21 | -2.29 |
Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc12 | -5.46 | -7.54 |
Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1Cl | -0.83 | -2.91 |
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 | 0.06 | -2.02 |
Cc1[nH]c(=S)sc1CC(O)=O | -0.57 | -2.65 |
CSc1nnc(N)s1 | -0.52 | -2.59 |
NC(=S)c1ccccc1 | -0.47 | -2.54 |
[Na+].CCCCCCCCCCOS([O-])(=O)=O | -1.71 | -3.78 |
CN1c2ccc(Cl)cc2C(=NC(O)C1=O)c1ccccc1F | -3.05 | -5.12 |
Cl.CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(O)=C3C(=O)[C@]2(O)C(O)=C(C(N)=O)C1=O | -0.77 | -2.84 |
[Na+].[O-]S(=O)(=O)c1cccc(c1)\N=N\c1ccc(Nc2ccccc2)cc1 | -2.77 | -4.83 |
C(\C=C\c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1 | -2.69 | -4.76 |
CCN(CC)C(=O)CSc1ccc(Cl)nn1 | -1.72 | -3.78 |
ClC(Cl)(Cl)[C@@H](NC=O)n1ccn(cc1)[C@@H](NC=O)C(Cl)(Cl)Cl | -4.19 | -6.25 |
[Na+].[Na+].Cn1c(C([O-])=O)c(I)c(=O)c(I)c1C([O-])=O | 0.01 | -2.05 |
Nc1n[nH]c(N)n1 | 1 | -1.04 |
Cl.C[C@H](N)[C@H](O)c1ccccc1 | 0.73 | -1.32 |
Cl.C[C@H](N)[C@@H](O)c1ccccc1 | 0.73 | -1.32 |
Cl.CC(N)C(O)c1ccccc1 | 0.73 | -1.32 |
[Na+].Cc1ccnc([N-]S(=O)(=O)c2ccc(N)cc2)n1 | -0.61 | -2.66 |
NS(=O)(=O)c1cc2c(NC=NS2(=O)=O)cc1C(F)(F)F | -0.82 | -2.86 |
Cl.NC(=S)C(c1ccccc1)c1ccccn1 | -0.76 | -2.81 |
On1ccc(=CN=O)cc1 | 0.86 | -1.19 |
CCCCSc1ncnc2nc[nH]c12 | -2.18 | -4.23 |
Cl.CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(O)=C(C(N)=O)C1=O | -0.29 | -2.33 |
Brc1ccc2[nH]c(=O)nc(-c3ccccc3)c2c1 | -3.71 | -5.75 |
[Na+].[O-]C(=O)c1ccccc1 | 0.59 | -1.45 |
Nc1cccccc1=O | 0.4 | -1.63 |
Cl.CN(C)CCN(Cc1cccs1)c1ccccn1 | -0.39 | -2.42 |
CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc12 | -2.07 | -4.1 |
[O-][N+]12CC[C@@]34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N(c3ccccc43)C(=O)C[C@@H]5OCC=C1C2 | -1.28 | -3.3 |
CC(O)C(O)OC(=O)C(N)Cc1cccc(O)c1 | 0.59 | -1.43 |
Cl.CCOC(=O)OC(C)OC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O | -3.48 | -5.49 |
Cl.NC(=S)Cc1ccccn1 | 0.72 | -1.29 |
[Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O | -3.79 | -5.8 |
OCCN1CCOC1=Nc1ncc(s1)[N+]([O-])=O | -0.83 | -2.84 |
NC(=S)N\N=C\c1ccncc1 | 0.11 | -1.9 |
NC(=S)N\N=C\c1cccnc1 | 0.11 | -1.9 |
Cl.Cl.N\C(CSSC\C(N)=N\C1CCCCCC1)=N\C1CCCCCC1 | -3.37 | -5.37 |
ON1CC(=O)N=c2ccc(Cl)cc2=C1c1ccccc1 | -2.56 | -4.56 |
CCCCCCCCCCCCCCCCCC(O)=O | -5.68 | -7.67 |
NNCc1ccccc1 | 0.91 | -1.08 |
CCc1cc2=C(NCC(=O)N=c2s1)c1ccccc1F | -3.09 | -5.08 |
OCN(CO)c1nc(nc(n1)N(CO)CO)N(CO)CO | 0.51 | -1.47 |
OCCN1CCSC1=Nc1ncc(s1)[N+]([O-])=O | -1.68 | -3.66 |
CN(C)[C@H]1[C@@H]2Cc3c(C)c4cccc(O)c4c(O)c3C(=O)[C@]2(O)C(O)=C(C(N)=O)C1=O | -2.27 | -4.25 |
[K+].[O-]C(=O)c1cc(=O)[nH]c(=O)[nH]1 | 0.71 | -1.27 |
Cl.Cl.NC(=N)c1ccc(Nc2ccc(cc2)C(N)=N)cc1 | -1.85 | -3.82 |
OCC(O)CN1C(=O)COc2ccc(Cl)cc12 | -0.6 | -2.57 |
Cl.COC(=O)C(C)(N)Cc1ccc(O)cc1 | 0.61 | -1.36 |
NCC(O)CSc1ccc(Cl)c(Cl)c1 | -1.62 | -3.59 |
[Na+].CCCCCCCCCCCCCCCCOS([O-])(=O)=O | -4.83 | -6.8 |
S=c1[nH]c2ccccc2[nH]1 | -1.72 | -3.68 |
Cl.CCCCNc1ccc(cc1)C(=O)OCCN(C)C | -0.72 | -2.69 |
Cl.NC(N)=NC(N)=NC1CCCCC1 | 0.66 | -1.3 |
Cl.Cc1ccc(cc1)C(=CCN1CCCC1)c1ccccn1 | -1.5 | -3.46 |
O=C1C=C(NCCN2CCOCC2)C(=O)c2cccnc12 | 0.06 | -1.9 |
Cl.CSC(C(N)=O)c1ccccn1 | 0.66 | -1.29 |
[Na+].Nc1ccc(cc1)S(=O)(=O)Nc1nc(C([O-])=O)c(s1)C(O)=O | -1.28 | -3.22 |
Cl.OC[C@@H](C(=O)OC1C[C@H]2N[C@@H](C1)[C@@H]1O[C@H]21)c1ccccc1 | -0.51 | -2.45 |
Cl.NC1CCSC1=O | 0.81 | -1.13 |
C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O | -0.81 | -2.75 |
CCc1cc2=C(NCC(=O)N=c2s1)c1ccccc1Cl | -3.59 | -5.52 |
COc1cccc(OC)c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O | -3.02 | -4.95 |
S=c1nc([nH][nH]1)-c1ccccc1 | -2.54 | -4.47 |
Cc1sc(O)c(-c2ccccc2)c(=O)c1C(O)=O | -2.25 | -4.18 |
O=P(Oc1ccccc1)(Oc1ccccc1)N1CCOCC1 | -2.14 | -4.07 |
NCCO.CCCCCCCCC=CCCCCCCCC(O)=O | -5.49 | -7.42 |
Cl.Nc1ccc(\N=N\c2ccccc2)c(N)n1 | -1.2 | -3.12 |
CN(C)C1CC(=C(c2ccccc2)c2ccccc12)S(O)(=O)=O | -1.17 | -3.1 |
Cl.O=C(CN1CCOCC1)N1CN(C(=O)c2ccccc12)c1ccccc1 | -2.13 | -4.05 |
Cl.CCCCSC(C(N)=O)c1ccccn1 | -0.87 | -2.79 |
Cl.CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1 | -3.32 | -5.25 |
Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 | -0.88 | -2.8 |
[Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1N\N=C1\C(=O)c2c(N)cc(cc2C=C1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N\N=C2\C(=O)c3c(N)cc(cc3C=C2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1 | -4.12 | -6.04 |
OC(CC(Br)([N+]([O-])=O)[N+]([O-])=O)C(O)c1ccccc1 | -1.71 | -3.63 |
OS(O)(=O)=O.CN1CC(=O)N=C1N.NCCc1c[nH]c2ccc(O)cc12 | 0.41 | -1.51 |
OC(=O)c1c(Cl)cccc1Cl | -1.13 | -3.04 |
CCN(CC)C(=O)c1cccnc1 | 0.75 | -1.16 |
Cl.CC[C@H]1[C@@H](Cc2cncn2C)COC1=O | 0.61 | -1.3 |
[Na+].CCCCCCCCCCCCCCCCCCOS([O-])(=O)=O | -5.88 | -7.78 |
C[C@@H](O)[C@@H]1OCC[C@@H](C)[C@H](O)C(=O)OC[C@]23CCC(C)=C[C@H]2O[C@@H]2C[C@@H](OC(=O)C=CC=C1)[C@@]3(C)[C@]21CO1 | -2.77 | -4.67 |
[Na+].CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1 | -1.03 | -2.93 |
[Na+].O[C@@H]([C@@H](COC(=O)CCC([O-])=O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+]([O-])=O | -1.37 | -3.27 |
NS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl | -2.32 | -4.22 |
OC1N=C(c2ccccc2Cl)c2nc(Cl)ccc2NC1=O | -3.07 | -4.97 |
NC(=O)c1cccc(-c2ccccc2)c1OCCO | -1.99 | -3.89 |
[Cl-].CC([NH3+])C(O)c1ccc(O)c(C)c1 | 0.66 | -1.23 |
[Cl-].CC([NH3+])C(O)c1ccc(C)c(O)c1 | 0.66 | -1.23 |
C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I | -0.74 | -2.64 |
COc1cc2CC[C@H](N)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC | -3.11 | -5 |
OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O | -3.35 | -5.23 |
Nc1ncnc2[nH]ccc12 | -0.26 | -2.14 |
OC(=O)c1c2ccccc2cc2ccccc12 | -3.42 | -5.29 |
CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(Nc2ccccc2)=C(C)C1=O | -2.29 | -4.17 |
[Na+].[O-][N+](=O)Nc1nnn[n-]1 | 0.82 | -1.05 |
Cl.OC(CCN1CCCCC1)(C1CCCC1)c1ccccc1 | -1.73 | -3.6 |
[O-][N+](=O)c1ccc(cc1)C(=O)\C=N\N1CCOCC1 | -1.66 | -3.53 |
[Ca++].CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C([O-])=O.CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C([O-])=O | -2.69 | -4.56 |
Cl.CN[C@H](C)[C@@H](O)c1ccccc1 | 0.7 | -1.17 |
Cl.CNC(C)C(O)c1ccccc1 | 0.7 | -1.17 |
Cl.CN[C@@H](C)[C@@H](O)c1ccccc1 | 0.7 | -1.17 |
[Na+].Oc1ccc(cc1)C([O-])=O | 0.8 | -1.07 |
Cl.NC(=O)C(SCC=C)c1ccccn1 | -0.22 | -2.09 |
COc1cc2CC[C@H](NC(=O)C(F)(F)F)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC | -3.97 | -5.83 |
NCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O | -1.72 | -3.58 |
CCOC(=O)CN(N=O)C(N)=O | 0.76 | -1.1 |
C[N+](C)(C)CCO.[O-]C(=O)c1cc(=O)[nH]c(=O)[nH]1 | 0.59 | -1.27 |
[Cl-].[Cl-].[NH3+]c1ccc(cc1)C(=O)NC1=Nc2ccccc2[NH2+]1 | -2.5 | -4.35 |
O=C1c2ccccc2-c2cccc3c(ccc1c23)-c1ccc2C(=O)c3ccccc3-c3cccc1c23 | -11.53 | -13.38 |
Oc1ccccc1C(=O)Nc1ncn[nH]1 | -0.88 | -2.72 |
Cn1cnc(c1Sc1ncnc2nc[nH]c12)[N+]([O-])=O | -3.01 | -4.85 |
CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(O)=O | -2.81 | -4.65 |
Clc1cccc(Cl)c1NC1=NCCN1 | -1.23 | -3.07 |
CCCCCCCCCCCCCCC(O)=O | -4.31 | -6.15 |
O=C1CCCCCCCN1 | 0.63 | -1.2 |
CN1C(=O)C2CCC(N2N)C1=O | 0.74 | -1.09 |
OC(NC(=O)CF)C(Cl)Cl | 0.3 | -1.53 |
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 | -0.25 | -2.09 |
Cl.NCC(O)c1ccc2c(ccc3ccccc23)c1 | -2.93 | -4.77 |
ONC(=O)c1cc(Cl)nc(Cl)c1 | -1.32 | -3.15 |
O=c1[nH]sc2ccccc12 | -0.85 | -2.68 |
Cl.NCCc1ccccc1 | 0.8 | -1.02 |
[O-][N+](=O)c1cnc([nH]1)[N+]([O-])=O | -0.92 | -2.74 |
Cn1cc[nH]c1=S | 0.38 | -1.44 |
Clc1ccc2s[nH]c(=O)c2c1 | -1.65 | -3.47 |
Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | -3.69 | -5.51 |
CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(O)=O)[C@@H]2CC1 | -3.8 | -5.61 |
OC(NC(=O)c1ccc(F)cc1)C(Cl)Cl | -1.71 | -3.52 |
[Na+].CCOC(=O)c1ccc([O-])cc1 | 0.15 | -1.64 |
Cl.CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | -1.43 | -3.22 |
CNC(=O)\C=C(\C)OP(=O)(OC)OC | 0.65 | -1.14 |
COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1O | -2.42 | -4.21 |
Nc1nnc(-c2ccccc2)c(n1)-c1ccccc1 | -3.04 | -4.83 |
CC(=O)Oc1ccccc1C(N)=O | -0.17 | -1.95 |
[Na+].CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=C3C=C([O-])OC1 | -0.58 | -2.35 |
Cl.Clc1cccc(Cl)c1NC1=NCCN1 | -1.29 | -3.07 |
[Na+].CCCCC([O-])=O | 0.91 | -0.87 |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1[nH]nc2c1[nH]cnc2=O | 0.57 | -1.2 |
N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O | -0.31 | -2.08 |
OS(O)(=O)=O.NNCCc1ccccc1 | 0.63 | -1.14 |
S=C1NC2CCCCC2N1 | -0.08 | -1.85 |
Cl.CN(CCO)Cc1csc(n1)-c1ccc(s1)[N+]([O-])=O | -1.51 | -3.28 |
Cl.CCOc1ccc(N)cc1 | 0.2 | -1.56 |
CCn1cnc2c1[nH]cnc2=S | -1.3 | -3.06 |
c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61 | -9.33 | -11.09 |
COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O | -2.95 | -4.71 |
OC(C(=O)c1ccco1)c1ccco1 | -0.55 | -2.31 |
Cl.NNc1nnc(NN)c2ccccc12 | -1.03 | -2.79 |
OC(=O)c1ccccc1-c1ccccc1C(O)=O | -2.28 | -4.03 |
O=c1[nH]c(co1)-c1ccc2ccccc2c1 | -2.94 | -4.69 |
CC1(C)OC(=O)N(CCC(O)CO)C1=O | 0.66 | -1.09 |
Cl.CN(CC(=O)N1CCOCC1)Cc1c(Cl)cccc1NC(=O)c1ccccc1 | -2.74 | -4.48 |
O.[Na+].Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O)-c1c(Cl)cccc1Cl | -5.15 | -6.89 |
CN(C(N)=O)c1ccc(C)cc1 | -0.42 | -2.17 |
[Li+].[O-]C(=O)c1ccccc1 | 0.29 | -1.45 |
[Na+].Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O)-c1ccccc1Cl | -4.52 | -6.26 |
OC(=O)COc1ccc(C(=O)c2ccc(Cl)o2)c(Cl)c1Cl | -4.38 | -6.12 |
COc1cc(\C=C\C(=O)N2CCCO2)cc(OC)c1OC | -1.53 | -3.26 |
Cl.NNc1nncc2ccccc12 | -0.65 | -2.38 |
CCOC(=O)CN1C(=O)CN(N=Cc2ccc(o2)[N+]([O-])=O)C1=O | -2.45 | -4.17 |
OCCNC(O)(C(F)(F)F)C(F)(F)F | -0.02 | -1.75 |
COP(=O)(OC)[C@H](O)C(Cl)(Cl)Cl | -0.22 | -1.94 |
OP(O)(O)=O.COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C | -0.11 | -1.83 |
O=C(\C=N\N1CCOCC1)c1ccccc1 | -1.1 | -2.82 |
[Cl-].CC([NH3+])C(O)c1cccc(C)c1 | -0.14 | -1.85 |
Cl.CC(N)C(O)c1ccc(C)cc1 | -0.14 | -1.85 |
Br.CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(O)c1ccccc1 | -0.38 | -2.09 |
OC(=O)C=CC(O)=O.CN(C)CCC(c1ccc(Br)cc1)c1ccccn1 | -1.22 | -2.93 |
CCCCNC1=CC(=O)c2ncccc2C1=O | -1.37 | -3.09 |
Cl.NCC(O)c1ccccc1 | 0.76 | -0.95 |
C[C@H](N)[C@H](O)c1cccc(O)c1 | 0.78 | -0.93 |
CC(O)CN1C(=O)C2C3CCC(O3)C2C1=O | 0.6 | -1.11 |
Cl.CCOC(=O)[C@@H](N)Cc1ccc(O)cc1 | 0.18 | -1.53 |
Cl.CC(C)NCC(O)COc1cccc2ccccc12 | -1.99 | -3.7 |
c1ccc(cc1)-c1n[nH]c(n1)-c1ccccc1 | -3.18 | -4.88 |
CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 | -2.06 | -3.76 |
Cc1ncnc2nc[nH]c12 | 0.17 | -1.53 |
[K+].[O-]S(=O)(=O)NC1CCCCC1 | 0.66 | -1.04 |
[Na+].Nc1ccc(cc1)S(=O)(=O)[N-]c1ccccn1 | -0.77 | -2.47 |
CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=C3CC(=O)OC1 | -0.42 | -2.12 |
Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O | -3.98 | -5.68 |
Nc1cccc(c1)S(=O)(=O)Nc1ncc(Cl)cn1 | -1.54 | -3.23 |
COC(=O)C(C1CCCCN1)c1ccccc1 | -0.06 | -1.76 |
CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O | -1.88 | -3.57 |
O=C(C1CCCCC1)N1CC2N(CCc3ccccc23)C(=O)C1 | -2.89 | -4.59 |
CN1CCN(C)C1=Nc1ncc(s1)[N+]([O-])=O | -1.15 | -2.85 |
[Na+].Nc1ccc(cc1)S(=O)(=O)[N-]c1nccs1 | -0.98 | -2.67 |
C[N+](C)(C)CCO.OC(=O)c1ccccc1[O-] | 0.62 | -1.07 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO | -3.75 | -5.44 |
Nc1[nH]ncc1-c1ccccc1 | -1.14 | -2.82 |
CCC(C)(SS(O)(=O)=O)N=C(N)N | 0.42 | -1.26 |
Cl.CC(C)(N)Cc1ccccc1 | 0.09 | -1.59 |
CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C | -6.64 | -8.31 |
Nc1ccc(cc1)C(=O)Nc1ncc[nH]1 | -1.02 | -2.7 |
[Na+].CCCOC(=O)c1ccc([O-])cc1 | -0.37 | -2.05 |
CC1N=C(Nc2ncc(s2)[N+]([O-])=O)OC1(C)C | -2.06 | -3.73 |
Clc1ccc(cc1)C(=O)C=NN1CCOCC1 | -1.9 | -3.57 |
[Na+].[Na+].[O-]S(=O)(=O)c1ccc2N\C(C(=O)c2c1)=C1\Nc2ccc(cc2C1=O)S([O-])(=O)=O | -1.67 | -3.34 |
NCC(=O)c1ccc(O)c(O)c1 | 0.78 | -0.89 |
NC1CCN(C1=O)c1ccc(F)cc1 | -0.93 | -2.59 |
Clc1ccccc1N1C(=O)C2C3CCC(O3)C2C1=O | -1.21 | -2.87 |
CC(=O)OCCN1CCS\C1=N\c1ncc(s1)[N+]([O-])=O | -2.49 | -4.16 |
[Na+].C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1cccc(c1)S([O-])(=O)=O | -3.62 | -5.28 |
O.O.Cl.CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C | -0.49 | -2.15 |
[Na+].[O-]C1=NC(=O)CN1\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O | -3.36 | -5.02 |
NC1=Nc2ccc(Cl)cc2N(c2ccccc2)C(=O)C1 | -2.23 | -3.88 |
NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 | -0.13 | -1.79 |
OS(O)(=O)=O.CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1.CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 | 0.19 | -1.46 |
OS(O)(=O)=O.NNc1nnc(NN)c2ccccc12 | -1.14 | -2.79 |
CNC(=S)NNC(=S)NC(C)C=C | -1.37 | -3.02 |
Oc1c2occc2cc2ccc(=O)oc12 | -1.44 | -3.09 |
CCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 | -3.85 | -5.5 |
NC(=O)c1ccccc1OCC(=O)Nc1ccccc1 | -2.06 | -3.71 |
CC1=CC(C)(C)NC(=S)N1 | 0.02 | -1.62 |
CCn1cc(C(O)=O)c(=O)c2cc(F)c(nc12)N1CCNCC1 | -0.97 | -2.62 |
CCCCn1cnc2c1[nH]cnc2=S | -2.34 | -3.98 |
Cl.Cl.Nc1ccc(cc1)-c1ccc(N)cc1 | -1.83 | -3.48 |
OS(O)(=O)=O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c1ccccc61.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c1ccccc61 | -1.41 | -3.05 |
CSc1c(Cl)nc(nc1N1CCN(C)CC1)N1CCOCC1 | -2.06 | -3.7 |
CCOP(=O)(OCC)OCC | 0.43 | -1.21 |
Clc1cccc(c1)C1NCCS1 | -1.39 | -3.03 |
Cl.CCC(N)C(O)c1ccccc1 | -0.09 | -1.73 |
O=C(NC(=O)c1ccccc1)c1ccccc1 | -2.27 | -3.91 |
CSc1c(Cl)nc(Nc2ccccc2)nc1N1CCN(C)CC1 | -3.39 | -5.03 |
Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1 | -2.9 | -4.53 |
Cl.CN(CCCl)CCCl | 0.45 | -1.18 |
COc1cc2CCC(NC(C)=O)c3cc(OC)c(=O)ccc3-c2c(OC)c1OC | -2.97 | -4.6 |
CC1(C)N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1 | -2.72 | -4.35 |
CC(=O)n1c2cc(Cl)ccc2oc1=O | -0.87 | -2.51 |
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O | -2.56 | -4.19 |
Nc1cc2oc(=O)[nH]c2cc1Cl | -1.12 | -2.75 |
Br.CCC1(C(=O)N(C)C(=O)N(CNC(N)=S)C1=O)c1ccccc1 | -2.65 | -4.28 |
C1CN2CCO[Si](O1)(OCC2)c1ccccc1 | -0.04 | -1.66 |
Cl.CC(N)C(O)c1ccc(O)cc1 | 0.69 | -0.93 |
Cl.C[C@H](N)[C@H](O)c1cccc(O)c1 | 0.69 | -0.93 |
[Cl-].C[NH2+]C(C)C(O)c1ccc(N)cc1 | 0.61 | -1.01 |
CCCCN(C(N)=O)c1ccccc1 | -1.3 | -2.92 |
OS(=O)(=O)SCCNCCOc1ccccc1 | -0.42 | -2.04 |
Cl.OC(C1CCCCN1)(c1ccccc1)c1ccccc1 | -1.71 | -3.33 |
[Cl-].[Cl-].CC(C)(C)Sc1ccc(CC\[NH+]=C(\N)CSSC\C(N)=[NH+]\CCc2ccc(SC(C)(C)C)cc2)cc1 | -7.63 | -9.25 |
Cl.NC(CS)=NCCCC12CC3CC(CC(C3)C1)C2 | -3.28 | -4.9 |
CC(C)(O)C#C | 1.08 | -0.54 |
O[C@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O | -3.6 | -5.21 |
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)NC2=O)o1 | -3.33 | -4.94 |
OC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O | -3.6 | -5.21 |
COc1cc(ccc1-c1nc2ncncc2[nH]1)S(C)=O | -1.76 | -3.36 |
Cl.CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 | -1.92 | -3.52 |
CCOC(=O)c1cc2c(ccc3ccccc23)oc1=O | -3.53 | -5.13 |
CCOC(=O)C(C(C)=O)C(O)(C(F)(F)F)C(F)(F)F | -1.24 | -2.84 |
Clc1cccc(c1)-n1c(=O)nc2occn2c1=O | -2.4 | -4.01 |
C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 | -1.06 | -2.66 |
Cl.Cc1ccccc1-n1c(C)nc2ccccc2c1=O | -2.21 | -3.81 |
Cl.Cl.NC(=N)c1ccc(Oc2ccc(cc2)C(N)=N)cc1 | -2.5 | -4.1 |
CN1[C@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)[C@@H](CO)c1ccccc1 | -0.48 | -2.08 |
CCOC(O)C(Cl)(Cl)Cl | -0.61 | -2.21 |
CCOc1ccc2ccccc2c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O | -5.46 | -7.05 |
CC(C)C(C)(COC(N)=O)COC(=O)NCC#C | -1.13 | -2.72 |
CC(O)=O.NCc1ccc(cc1)S(N)(=O)=O | 0.61 | -0.98 |
CN1c2ccc(Cl)cc2C(=NC(O)C1=O)c1ccccc1 | -3.26 | -4.86 |
COc1cc(\C=C\C(=O)N2CCCO2)cc(OC)c1OC(C)=O | -1.94 | -3.53 |
[Na+].CCCC(C)C1(CC)C(=O)NC([O-])=NC1=O | -1.58 | -3.17 |
Cl.NC(CS)=NC1C2CC3CC(C2)CC1C3 | -1.69 | -3.28 |
Clc1ccc(N2C(=O)C3C4CCC(O4)C3C2=O)c(Cl)c1 | -2.01 | -3.59 |
CC1(C)S[C@@H]2[C@H](NC(=O)C(C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O | -2.92 | -4.51 |
S=C1NCCS1 | -0.08 | -1.66 |
O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3)c45 | -0.03 | -1.61 |
Cl.Nc1cc(ccc1O)[As]=O | 0.63 | -0.95 |
COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c1ccccc1 | -3.36 | -4.94 |
NC(=O)C(O)(c1ccccc1)c1ccccc1 | -1.44 | -3.01 |
Clc1ccc2N(CC#C)C(=O)CN=C(c3ccccc3)c2c1 | -4.14 | -5.71 |
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 | -4.68 | -6.25 |
Cl.CCC(N)C(O)c1ccc(O)c(O)c1 | 0.63 | -0.94 |
[Na+].CC(=O)NCCSSCCCCS([O-])=O | -0.44 | -2.01 |
CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12 | -1.11 | -2.68 |
CCC[C@@H]1CO[C@@](Cn2cncn2)(O1)c1ccc(Cl)cc1Cl | -3.49 | -5.06 |
Nc1nc(no1)-c1ccccc1 | -1.39 | -2.95 |
Cl.CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O | -1.9 | -3.46 |
CCC12COP(OC1)OC2 | -0.14 | -1.71 |
Cl.NNc1ccccc1 | 0.4 | -1.16 |
[OH-].[K+].[K+].[O-]C(=O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O | -3.06 | -4.62 |
COc1ccc(cc1)-c1nc(N)nc(N)n1 | -2.09 | -3.65 |
CN(C)C(=O)C(=O)c1c[nH]c2ccccc12 | -1.37 | -2.93 |
Cl.CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1F | -3.71 | -5.27 |
[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC([O-])=O | -1.27 | -2.83 |
CCOc1ccc(N\C(N)=N\c2ccc(OCC)cc2)cc1 | -2.48 | -4.03 |
NC(=O)c1ccccc1OCCO | 0.07 | -1.48 |
CCC(C(C)C)C(=O)NC(O)C(Cl)(Cl)Cl | -2.86 | -4.4 |
OS(=O)(=O)SCCNCc1ccccc1 | -0.18 | -1.72 |
Cl.CCOC(=O)[C@@H](N)CS | 0.73 | -0.81 |
COCC(=O)Nc1cc(Sc2ccccc2)ccc1NC(NC(=O)OC)=NC(=O)OC | -3.14 | -4.68 |
OS(=O)(=O)SCCNCCOc1ccc(Cl)cn1 | -0.6 | -2.14 |
OC(=O)C1CSCN1 | 0.88 | -0.66 |
CN1C(=O)C(=O)c2ccccc12 | -0.87 | -2.41 |
CN(C(N)=O)c1ccccc1C | -0.4 | -1.94 |
[O-][N+](=O)c1ccc2n[nH]c(Cl)c2c1 | -2.48 | -4.01 |
CCC(=O)c1ccc(OCC(O)CNCC(O)c2ccccc2)cc1 | -2 | -3.53 |
CCCC\N=C(/N)N=C(N)N | 0.68 | -0.85 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C.COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1 | -3.71 | -5.24 |
Cl.CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1 | -1.69 | -3.22 |
OC(=O)c1cc(O)c(O)cc(=O)c1 | 0.54 | -0.98 |
O.O.CN(C)CCC[N+]1([O-])c2ccccc2S(=O)c2ccc(cc12)C(C)(C)C | -3.86 | -5.39 |
NC(COS(O)(=O)=S)=NC[C@H]1CC2CCC1C2 | -2.7 | -4.22 |
CS(O)(=O)=O.COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 | -4.35 | -5.88 |
CC(=O)NC1CCSC1=O | -0.06 | -1.59 |
CC(=O)C1C(O)C(NC1=O)C(C)(C)C.CC(=O)C1C(O)C(NC1=O)C(C)(C)C.C(CNCc1ccccc1)NCc1ccccc1 | -0.99 | -2.51 |
Cl.COc1ccc(cc1)C(O)C(C)N | 0.15 | -1.37 |
[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 | -3.5 | -5.02 |
CNC(C)C(O)c1ccccc1O | 0.74 | -0.78 |
OS(=O)(=O)SCCNCCCOc1nccc2ccccc12 | -1.83 | -3.35 |
NC(N)=NC(N)=NCCc1ccccc1 | 0.01 | -1.51 |
Cl.CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1 | -0.86 | -2.38 |
OCC(F)(F)F | 1 | -0.52 |
OC(=O)c1c(F)c(F)c(F)c(F)c1F | -1.48 | -3 |
[Cl-].CO[C@@H]1C[C@]23[NH+](CC=C2C=C1)CCC1=C3CC(=O)OC1 | -0.6 | -2.12 |
[Na+].Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1 | -0.99 | -2.5 |
[O-][N+](=O)N1CN2CN(C1)CN(C2)[N+]([O-])=O | 0.66 | -0.85 |
Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O.CC(CN1c2ccccc2Sc2ccccc12)N(C)C | -2.66 | -4.17 |
OCC=C1O[C@@H]2CC(=O)N2[C@H]1C(O)=O | 0.7 | -0.81 |
CCN1CCN(CC)C1=S | -0.31 | -1.82 |
NC(=O)C#CC(N)=O | 0.95 | -0.56 |
[Na+].COC1C(OC(N)=O)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc([O-])c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C | -4.41 | -5.92 |
CCC1(CC)C(=O)NC(=O)NC1=S | -1.11 | -2.61 |
NC(=O)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O | -1.61 | -3.11 |
Cl.NCc1ccccc1 | 0.55 | -0.96 |
CC(=O)c1ccc2sc(nc2c1)-c1ccc(cc1)C(N)=O | -3.37 | -4.87 |
CCN(CC)CCN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1F | -3.93 | -5.42 |
O=c1nc[nH]c2ccccc12 | -0.93 | -2.42 |
NC(=O)c1ccccc1OCC(O)CO | 0.05 | -1.44 |
[Na+].CN(CS([O-])(=O)=O)c1c(C)n(C)n(-c2ccccc2)c1=O | 0.48 | -1.02 |
CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4ccccc4[C@@]3(C)O)=C(O)[C@@]2(O)C(=O)C=C1O | -1.42 | -2.91 |
CC(=O)c1cccc(OCC(O)CN2CCOCC2)c1 | -0.24 | -1.74 |
C[C@@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | -3.82 | -5.31 |
OC(=O)CCC(O)=O.CN(C)CCOC(C)(c1ccccc1)c1ccccn1 | -0.72 | -2.21 |
Cl.CCCNC(C)(C)COC(=O)c1ccccc1 | -1.24 | -2.73 |
O.FC(F)(F)C1(NCCS1)C(F)(F)F | -1.75 | -3.24 |
Br.Br.NCCSC(N)=Nc1ccccc1 | -0.82 | -2.3 |
NC(=O)C#CC#CC#CCO | -0.1 | -1.58 |
OC(C#C)c1ccccc1 | -0.46 | -1.94 |
CCN(CC)CCN1C(=O)CN(N=Cc2ccc(o2)[N+]([O-])=O)C1=O | -2.67 | -4.15 |
O=C1c2ccccc2C(=O)C1(CN1CCOCC1)c1ccccc1 | -2.06 | -3.54 |
Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 | -2.4 | -3.88 |
CCCCCC(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O | -3.52 | -5 |
[Cl-].CC[NH+](CC)C1=Nc2ccccc2-c2ccccc2N1 | -3.15 | -4.63 |
CC(OC(=O)CCC(O)=O)C#C | 0.77 | -0.71 |
NC(=O)c1ccccc1Cl | -0.88 | -2.35 |
CC(=O)N(C(C)=O)c1nc(c(o1)-c1ccccc1)-c1ccccc1 | -3.38 | -4.85 |
CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl | -4.24 | -5.71 |
CCNc1nc(Cl)c(SC)c(n1)N1CCN(C)CC1 | -2.04 | -3.5 |
N[C@H](CO)Cc1ccccc1 | 0.45 | -1.01 |
[O-][N+](=O)c1ccc(\C=C\C=N\NC(=O)c2ccc(s2)[N+]([O-])=O)o1 | -5.08 | -6.55 |
Oc1ccccc1S(O)(=O)=O | 0.76 | -0.71 |
CN(C)C1CCN(C1=O)c1ccccc1.Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O | -1.73 | -3.2 |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c1[nH]cnc2=O | -0.22 | -1.68 |
COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 | 0.68 | -0.78 |
Cn1cc(nc1Cl)[N+]([O-])=O | -0.93 | -2.39 |
COC(=O)c1c(C)ccc(C(C)C)c1OCC(O)CNCC#C | -2.71 | -4.17 |
CCCCN1CCN(CCCC)C1=S | -2.21 | -3.67 |
OS(=O)(=O)CC(S)CS | 0.73 | -0.73 |
Cl.CNCCC(=O)c1ccc(O)cc1 | 0.42 | -1.04 |
Cl.CCN(CC)C(C)C(=O)c1ccccc1 | -1.2 | -2.66 |
CC(NC(C)C#N)C#N | 0.89 | -0.57 |
CC(C)NCC(O)c1cccc(O)c1 | 0.37 | -1.09 |
OC(=O)C(Cl)(Cl)Cl | -0.48 | -1.93 |
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 | -3.31 | -4.77 |
Cl.Nc1ccc2oc(=O)ccc2c1 | -0.97 | -2.43 |
COc1cc(cc(OC)c1OCCN1CCOCC1)C(=O)c1ccc(Cl)cc1 | -2.86 | -4.32 |
CCCCCCCC(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O | -4.53 | -5.98 |
[O-][N+](=O)c1ccc(cc1)C1NCCS1 | -1.55 | -3 |
COc1c(cccc1-c1ccccc1)C(N)=O | -2.61 | -4.06 |
O=C1C2C3CCC(O3)C2C(=O)N1c1ccccc1 | -0.69 | -2.14 |
Cl.CC(Cl)CN(C)C | 0.8 | -0.65 |
OC(=O)CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O | -1.5 | -2.94 |
[O-][N+](=O)c1ccc(s1)-c1nc(CN2CCOCC2)cs1 | -2.05 | -3.5 |
Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1 | -4.16 | -5.61 |
COc1ccccc1N1C(=O)C2C3CCC(O3)C2C1=O | -0.7 | -2.14 |
Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 | -2.32 | -3.77 |
OC(=O)C(=C)CC(=O)c1ccc(cc1)-c1ccccc1Cl | -3.83 | -5.28 |
CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 | 0.65 | -0.8 |
Cl.NC(N)=NC(N)=NCCc1ccccc1 | -0.06 | -1.51 |
C[C@@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | -3.64 | -5.08 |
Cl.CCCCN1CCC(O)(CC1)c1ccco1 | -0.44 | -1.88 |
NC1=Nc2ccc(cc2N(c2ccccc2)C(=O)C1)C(F)(F)F | -2.74 | -4.18 |
Oc1ccc(cc1)N=C1C=CC(=O)C=C1 | -1.64 | -3.08 |
[K+].CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[n-]1 | -5.13 | -6.58 |
[Cl-].C[NH2+]C(C)C(O)c1cccc(O)c1 | 0.66 | -0.78 |
Cc1ccccc1N1C(=O)C2C3CCC(O3)C2C1=O | -0.98 | -2.42 |
Ic1[nH]c(I)c(I)c1I | -3.46 | -4.9 |
CC(C)N(C(C)C)C(N(C(C)C)C(C)C)C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O | 0.36 | -1.08 |
Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 | -4.66 | -6.1 |
CC1CS(=O)(=O)CCN1\N=C\c1ccc(o1)[N+]([O-])=O | -1.82 | -3.26 |
Cn1c(n[nH]c1=S)-c1ccccc1 | -2.51 | -3.95 |
O[C@H]([C@@H](O)C(O)=O)C(O)=O.C[C@H](N)[C@H](O)c1cccc(O)c1 | 0.5 | -0.93 |
C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | -1.32 | -2.75 |
NC(=O)C1(OC1(Cl)Cl)c1ccc(Cl)cc1Cl | -3.73 | -5.16 |
[Na+].Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O)-c1ccccc1 | -4.18 | -5.61 |
Cl.NC(CS)=NCC12CC3CC(CC(C3)C1)C2 | -2.24 | -3.66 |
Cc1cccc2sc3nncn3c12 | -2.07 | -3.49 |
CCCCNCCSS(O)(=O)=O | 0.27 | -1.15 |
NC1=Nc2ccc(Br)cc2N(c2ccccc2)C(=O)C1 | -2.76 | -4.18 |
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(O)=O | -3.54 | -4.96 |
[Na+].O=C1NC(C(=O)[N-]1)(c1ccccc1)c1ccccc1 | -1.91 | -3.32 |
CCCCCNCCSS(O)(=O)=O | -0.25 | -1.67 |
COc1ccc2nc(OCCNCCSS(O)(=O)=O)cc(C)c2c1 | -2.16 | -3.58 |
O=C(N1CCOCC1)c1ccc2OCOc2c1 | -1.26 | -2.67 |
NC(COS(O)(=O)=S)=NC[C@@H]1CCCO1 | -0.7 | -2.12 |
CCN1CCCN(CC)C1=S | -0.65 | -2.06 |
OC(NC(=O)Cc1ccc(F)cc1)C(Cl)Cl | -1.65 | -3.07 |
CC(C)(S)[C@@H](N)C(O)=O | -0.13 | -1.54 |
CCNC1=NC(=O)C(O1)c1ccccc1 | -1.13 | -2.54 |
OS(=O)(=O)SCCNCCCOc1ccc2ccccc2n1 | -1.83 | -3.24 |
CC(C)SC(C)(C)C(N)=O | -1.53 | -2.94 |
CCCCCCNCCSS(O)(=O)=O | -0.77 | -2.18 |
CCC(CC)(SCC#C)C(N)=O | -1.95 | -3.36 |
CNC(=O)O\N=C(/SC)C(=O)N(C)C | 0.11 | -1.29 |
S=C(SSC(=S)N1CCCCC1)N1CCCCC1 | -4.6 | -6 |
Cl.NCCc1ccc(O)cc1 | 0.76 | -0.64 |
CC(C)(CSS(O)(=O)=O)NCCC#N | 0.62 | -0.78 |
OS(=O)(=O)SCCNCC1CC1 | 0.44 | -0.96 |
[Na+].CCCC(C)C1(CC=C)C(=O)NC([O-])=NC1=O | -1.97 | -3.37 |
Cl.CNCC(=O)c1ccc(O)c(O)c1 | 0.66 | -0.74 |
CCCCCCCNCCSS(O)(=O)=O | -1.29 | -2.69 |
[Ca++].Nc1nc(=O)c2N(C=O)C(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2[nH]1 | -2.19 | -3.58 |
CC([O-])=O.CC(C)[NH2+]CC(=O)N\N=C\c1ccc(o1)[N+]([O-])=O | -1.85 | -3.25 |
OS(=O)(=O)SCCNCC1CCC1 | -0.08 | -1.47 |
[Ag+].Nc1ccc(cc1)S(=O)(=O)[N-]c1ncccn1 | -1.1 | -2.5 |
CCCCC(CC)CNCCSS(O)(=O)=O | -1.75 | -3.15 |
C[C@@H]1C[C@H](N)C(=O)N1c1ccccc1 | -1.08 | -2.47 |
COC1=CC(=O)C[C@@H](C)[C@]11Oc2c(C1=O)c(OC)cc(OC)c2Cl | -3.25 | -4.64 |
Cl.CCNCC(O)c1cccc(O)c1 | 0.66 | -0.72 |
CS([O-])(=O)=O.[NH3+]C1=Nc2ccc(cc2N(c2ccccc2)C(=O)C1)[N+]([O-])=O | -2.45 | -3.84 |
Cl.CCCCCCCCCCCCN(C)C | -3.3 | -4.69 |
Clc1ccc(cc1)N1C(=O)C2C3CCC(O3)C2C1=O | -1.49 | -2.87 |
[Na+].CCC#CC(C)C1(CC=C)C(=O)N=C([O-])N(C)C1=O | -2.14 | -3.52 |
CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCC | -6.96 | -8.34 |
CCCCCCCCNCCSS(O)(=O)=O | -1.82 | -3.2 |
CSc1ccc2Sc3ccccc3N(CCC3CCCNC3)c2c1 | -3.76 | -5.14 |
CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1 | -2.75 | -4.13 |
NCC(O)c1cccc(O)c1 | 0.81 | -0.56 |
NCC(O)c1ccc(O)cc1 | 0.81 | -0.56 |
CN(C)CCNC(O)(C(F)(F)F)C(F)(F)F | -0.45 | -1.82 |
CCCc1cc(=O)[nH]c(=S)[nH]1 | -2.15 | -3.53 |
COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 | -3.56 | -4.93 |
Cl.COc1ccc(OC)c(c1)C(O)CN | 0.33 | -1.05 |
[Na+].[Na+].[O-]S(=O)(=O)c1ccccc1S([O-])(=O)=O | 0.55 | -0.83 |
OC(=O)[C@@H](S)[C@@H](S)C(O)=O | 0.2 | -1.18 |
CN1C(=O)C2CCC(N2C(=O)\C=C\c2ccccc2)C1=O | -2.55 | -3.93 |
CC([O-])=O.CC(C)C[NH2+]CC(=O)N\N=C\c1ccc(o1)[N+]([O-])=O | -2.37 | -3.75 |
[Cl-].CCC([NH2+]C)C(O)c1ccc(O)c(O)c1 | 0.59 | -0.78 |
COc1c(Cl)ccc(Cl)c1C(O)=O | -1.7 | -3.07 |
CC([O-])=O.CCC[NH2+]CC(=O)N\N=C\c1ccc(o1)[N+]([O-])=O | -1.92 | -3.29 |
[Na+].CC(=O)Nc1nnc(s1)S([NH-])(=O)=O | -0.76 | -2.13 |
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(O)=C3C(=O)[C@]2(O)C(O)=C(C(N)=O)C1=O)N(C)C | -0.94 | -2.31 |
Nc1ccc(cc1)C(=O)Nc1nn[nH]n1 | -0.95 | -2.32 |
CCCCCCCCCNCCSS(O)(=O)=O | -2.34 | -3.7 |
CCC(C)NCC(O)c1ccc(N)cc1 | -0.35 | -1.72 |
CC([O-])=O.CCCC[NH2+]CC(=O)N\N=C\c1ccc(o1)[N+]([O-])=O | -2.43 | -3.8 |
CC(C)CCCCCCNCCSS(O)(=O)=O | -2.27 | -3.64 |
O=S1(=O)CCCC1 | 0.92 | -0.44 |
CCCCNCC(O)c1ccc(O)cc1 | -0.28 | -1.65 |
CC(C)NCC(O)c1cc(O)cc(O)c1 | 0.68 | -0.69 |
O.OC(N1CCNCC1)(C(F)(F)F)C(F)(F)F | -0.36 | -1.72 |
CC(=O)Nc1c(I)cc(I)c(C(O)=O)c1I | -2.64 | -4 |
CC(S)C(=O)NCC(O)=O | 0.16 | -1.19 |
FC(F)(F)c1ccc(Cl)c(c1)N1C(=O)C2C3CCC(O3)C2C1=O | -2.53 | -3.88 |
CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O | -3.66 | -5.01 |
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O | -3.2 | -4.56 |
CC(=O)C(C(C)=O)C(O)(C(F)(F)F)C(F)(F)F | -1.23 | -2.59 |
COc1ccc(OC)c(c1)C(O)C(C)N | -0.06 | -1.41 |
Cl.Cl.CN(C)CCSC(N)=N | 0.66 | -0.69 |
[K+].[S-]C#N | 1.01 | -0.34 |
CCCCCCCCCCNCCSS(O)(=O)=O | -2.86 | -4.21 |
CSc1c(Cl)nc(NC(C)C)nc1N1CCN(C)CC1 | -2.5 | -3.84 |
[I-].Cn1cccc\c1=C/[NH+]=O | -0.74 | -2.09 |
CCOC(=O)n1ccn(C)c1=S | -0.47 | -1.81 |
[Na+].C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C | -3.29 | -4.63 |
S=c1ccc2ccccc2[nH]1 | -2.8 | -4.14 |
CC(C)CCCC(C)CCNCCSS(O)(=O)=O | -2.73 | -4.07 |
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1ncc[nH]1 | -2.26 | -3.6 |
CCCCC[C@@H](O)\C=C\[C@@H]1[C@@H](O)CC(=O)[C@H]1C\C=C\CCCC(O)=O | -2.47 | -3.81 |
NC(=S)c1ccccn1 | -0.26 | -1.6 |
Br.Br.NC(=N)SCCSC(N)=N | -0.89 | -2.22 |
Oc1ccc2[nH]ccc2c1 | -0.54 | -1.88 |
NC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 | -3.14 | -4.48 |
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CN=CNc12 | 0.57 | -0.76 |
OC(=O)CCN(CCC(O)=O)[N+]([O-])=O | 0.69 | -0.65 |
Oc1cccc(O)c1 | 0.81 | -0.52 |
CCC(=O)c1ccc(OCC(O)CN2CCOCC2)cc1 | -0.77 | -2.1 |
CCOc1c(cnn(C)c1=O)N1CCOCC1 | 0.62 | -0.71 |
Cc1cc(OCCCNCCSS(O)(=O)=O)nc2ccccc12 | -2.4 | -3.73 |
CCCNCCSS(O)(=O)=O | 0.7 | -0.63 |
NC(=O)c1cc(Br)ccc1OCCO | -1.27 | -2.6 |
OC(=O)C=CC(O)=O.CN(C)CCC(c1ccccc1)c1ccccn1 | -0.56 | -1.89 |
Cl.CCOC(=O)CC[C@H](N)C(=O)OCC | 0.62 | -0.71 |
C1CC[C@H](NC1)c1cccnc1 | 0.79 | -0.53 |
CCCCCCCCCCCNCCSS(O)(=O)=O | -3.38 | -4.7 |
Cc1ccc2NC(=O)C(=O)c2c1 | -1.23 | -2.55 |
Cc1cccc2NC(=O)C(=O)c12 | -1.23 | -2.55 |
[Cl-].[NH3+][C@H]1CC[C@@H]1S | 0.48 | -0.84 |
[Cl-].[NH3+][C@H]1CC[C@H]1S | 0.48 | -0.84 |
O=C1CCC2CCC(=O)N12 | 0.73 | -0.59 |
NC(=O)c1cccc(-c2ccccc2)c1OCC=C | -3.52 | -4.84 |
OCC(Cl)(Cl)Cl | -0.25 | -1.57 |
O.FC(F)(F)C1(NCCN1)C(F)(F)F | -0.7 | -2.02 |
Cc1ccncc1C | 0.36 | -0.96 |
OS(=O)(=O)SCCNCCCOc1ccc(cn1)[N+]([O-])=O | -0.88 | -2.2 |
OS(=O)(=O)SCCNCCCOc1ncccc1[N+]([O-])=O | -0.88 | -2.2 |
CCCCn1c2nc[nH]c2c(=O)[nH]c1=O | -1.44 | -2.75 |
O=C1CC=NC=N1 | 0.59 | -0.73 |
C[C@@H](N)[C@@H](O)c1ccccc1 | -0.01 | -1.32 |
C[C@@H](N)[C@H](O)c1ccccc1 | -0.01 | -1.32 |
C[C@H](N)[C@H](O)c1ccccc1 | -0.01 | -1.32 |
Oc1cc2oc(=O)[nH]c2cc1Cl | -1.2 | -2.52 |
C[N+](C)(C)CCO.Cn1c([O-])c2ncnc2n(C)c1=O | 0.55 | -0.77 |
Cl.CCCCCCCCCCCCCCCCCCN(C)C | -6.43 | -7.75 |
OP(O)(O)=O.CC(N)Cc1ccccc1 | -0.09 | -1.4 |
Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | -4.95 | -6.26 |
COc1cc(cc(OC)c1OC)C(=O)N1CCOCC1 | -0.93 | -2.24 |
Cl.CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl | -2.21 | -3.51 |
Cc1ccc(O[P@](=O)(Oc2cccc(C)c2)Oc2ccccc2C)cc1 | -6.01 | |