1 O(C(=O)c1ccc(N)cc1)CCC~    0.550
2 CCCO~   -0.145
4 ClCCCl~   -0.140
6 OCC(CC)C~    0.038
7 S(C(N)=N)C~   -0.602
8 O(CC(O)CNC(C)(C)C)c1c2CCC(=O)Nc2ccc1~   -0.400
9 CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2~    0.082
10 O(C(c1ccccc1)c1ccccc1)CCN(C)C~    1.260
11 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O~   -1.165
12 O1C(C=CC1N1C=C(C)C(=O)NC1=O)CO~   -0.482
13 Fc1cc2onc(c2cc1)C1CCN(CC1)CCC=1C(=O)N2C(=NC=1C)C(O)CCC2~   -0.670
15 O(C(=O)C)CCCC~    0.277
17 O1C(CO)C(N[NH+]=[N-])CC1N1C=C(C)C(=O)NC1=O~   -0.720
18 O(C(=O)C)CCC(C)C~    0.554
19 O=C1NC(=O)NC(=O)C1(CCC)CC~    0.086
20 O(C(C)(C)C)C~    0.360
21 O(C(=O)C)CCCCC~    0.400
23 C(Cl)(Cl)Cl~    0.252
24 Cl\C=C\Cl~    0.040
25 CN1C=NC2=C1C(=O)N(C(=O)N2)C~    0.060
26 Clc1cc2NC(=O)N(c2cc1)C1CCN(CC1)CCCN1c2c(NC1=O)cccc2~   -0.850
28 FC1CC(OC1CO)N1C=C(C)C(=O)NC1=O~   -0.590
31 O(C(C)(c1ccccc1)c1ncccc1)CCN(C)C~    0.640
32 s1cc(nc1NC(N)=N)C~   -0.040
33 O=C(Nc1c(cccc1C)C)CN(CC)CC~    0.340
34 S(Cc1ncccc1)CCNc1[nH]cc(Cc2ccccc2)c1[N+](=O)[O-]~   -0.120
36 Ic1ccc(N2CCN(CC2)CCCCCC)cc1~    1.010
37 s1ccnc1CCN~   -0.420
38 CN1C2=C(C(=O)N(C1=O)C)NC=N2~   -0.341
39 Oc1c2NC(=O)Cc2c(cc1)CCN(CCC)CCC~   -0.430
40 OC(COCF)C[N]1C=CN=C1[N+]([O-])=O~   -0.010
41 CCC(C)CC~    1.010
43 CCC1(C(=O)NC(=O)NC1=O)CCC(C)C~    0.040
44 C=COCC(F)(F)F~    0.130
45 CC1=CC=CC=C1~    0.360
49 CC1CCCC1~    0.930
50 CCCC(C)C1(C(=O)NC(=O)NC1=O)CC~    0.125
51 Cl\C=C/Cl~   -0.130
52 Clc1ccc(cc1)C(=O)n1c2c(cc(OC)cc2)c(CC(O)=O)c1C~   -1.260
53 OCCCCC~    0.203
54 ClC(Cl)(Cl)CCl~    0.330
55 O(C(C)(C)C)CC~    0.220
56 ClCCN(CCCl)c1ccc(cc1)CCCC(O)=O~   -1.700
57 O(C(CC)(C)C)C~    0.170
58 O(C(=O)C)CC~    0.003
61 O=C(NCCCOC1=CC=CC(=C1)CN2CCCCC2)C3=CC=CC=C3~   -0.240
62 OC1CCC2(C3C(CCC2C1(C)C)(C)C1(C(C2CC(CCC2(CC1)C)(C(O)=O)C)=CC3=O)C)C~   -1.398
64 OC(=O)c1ccc(cc1)-c1ccccc1~   -1.260
65 O=C(NC(CC)c1ccccc1)c1c2c(nc(-c3ccccc3)c1C)cccc2~    0.300
66 n1ccccc1CCN(C)C~   -0.060
67 CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3~   -0.520
68 N#CC=C~   -0.400
72 N(C(Cc1ccccc1)C)C~    0.923
73 OCC#C~   -0.230
74 Ic1cc(ccc1N)-c1sc2cc(O)ccc2n1~    0.176
75 Brc1cc(C)c(nc1)CCCCNC=1NC(=O)C(=CN=1)Cc1ccc(nc1)C~   -1.880
76 CCO~   -0.160
77 CC(C)O~   -0.150
78 CC1=C(N=CN1)CSCCNC(=NC)NC#N~   -1.420
80 c1ccccc1C(C)(C)C~    0.430
81 ClCCl~   -0.284
82 FC(F)(F)c1cc(ncc1)N1CCN(CC1)CCCCN1CCCC1=O~    0.160
84 CCOCC~    0.000
85 CCCC(C)C~    0.970
87 BrC(C)C~    0.560
88 O=C(CCC)C~   -0.010
89 O(CC(O)CNC(C)C)c1c2c([nH]cc2)ccc1~   -0.135
90 ClC(Cl)C~   -0.280
91 CC1=CC=CC=C1C~    0.390
92 Clc1ccc(cc1)C(F)(F)F~    0.170
94 O(C(C)C)C(=O)C~    0.399
95 O1CCc2c([nH]c3c2cccc3CC)C1(CC(O)=O)CC~   -1.423
96 O=C1NC2(CCCC2)C(=O)NC1C~   -0.260
97 O=C1NC(=O)NC(=O)C1(CCCCCC)CC~    0.364
98 C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3~   -0.055
100 CCCC(C)CC~    0.900
104 S(CCF)C(N)=N~   -0.275
106 [O-]\[N+](=C\c1ccccc1)\C(C)(C)C~    0.050
107 CCC(C)N1CCN(CC1)C2=CC=C(I)C=C2~    1.380
108 O(CCN(C)C)c1ccc(cc1)C(=C(CC)c1ccccc1)c1ccccc1~    0.922
109 S=C(NC1CCCCC1)N1CCC(CC1)c1nc[nH]c1~   -0.160
110 CCC(C)(C)C~    1.039
112 Ic1ccc(cc1CN1CCCCC1)CN1CCCCC1~    0.980
114 IC=CCN1CCC(CC1)COc1ccc(cc1)C#N~    1.132
115 BrC(Cl)CC(F)(F)F~    0.350
117 C1CCCCC1C~    0.960
118 O1C=C(C(=O)c2c1cc(O)cc2)c1ccc(O)cc1~   -0.150
119 O(CCCNC(=O)C)c1cc(ccc1)CN1CCCCC1~   -0.460
120 O(C(=O)c1ccc(N)cc1)CC~    0.270
121 O=C1NC(=O)NC(=O)C1(CCCCCCCC)CC~    0.241
123 C~    0.035
124 CN(C)CC1=CC=C(CSCCNC2=C(C=C[NH]2)[N+]([O-])=O)O1~   -1.120
126 OC(CC(=O)N)(CC)c1ccccc1~    0.040
127 O(C(=O)c1ccc(N)cc1)CCN(CC)CC~    0.050
128 O=C1NC(=O)N(c2ncn(c12)C)C~   -0.290
130 O(C(=O)C)CCC~    0.120
131 CCCCC(C)C~    0.860
132 n1ccccc1CCNC~   -0.300
133 Clc1ccccc1-c1nc(cc2c1cccc2)C(=O)N(C(CC)C)C~    0.480
134 BrC(F)CC(F)(F)F~    0.270
135 CCCCC~    0.750
137 O=C1c2ccc(nc2N(C=C1C(O)=O)CC)C~   -0.658
138 CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C~   -0.060
139 CCC1=CC=CC=C1~    0.229
140 OC(CCN1CCCCC1)(C1C2CC(C1)C=C2)c1ccccc1~    0.845
141 Oc1c(cccc1C(C)C)C(C)C~    0.697
142 c1ccccc1C=C~    0.450
143 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O~    0.640
144 Oc1ccccc1C(O)=O~   -1.120
145 N1CCCc2c1cccc2~    0.660
146 CN(C)CC1=CC=NC(=C1)C2=CC(=CC=C2)NC3=C(C=C[NH]3)[N+]([O-])=O~   -0.280
147 Brc1cccnc1CSCCNc1[nH]ccc1[N+](=O)[O-]~   -0.670
148 C=COC=C~    0.130
149 S(Cc1ncccc1)CCNc1[nH]ccc1[N+](=O)[O-]~   -0.660
150 CCN1CN(C2=CC=C(Br)C=C2)C3(CCN(CCCC(=O)C4=CC=C(F)C=C4)CC3)C1=O~   -0.430
151 CN(C)CC1=CC=C(O1)C2=CC=CC(=C2)NC3=C(C=C[NH]3)[N+]([O-])=O~   -0.270
152 OC1(CCC2C3C(C4=C(CC3C)CC(=O)CC4)CCC12C)C#C~    0.400
153 Brc4ccc(N3C2(CCN(CCCC(c1ccc(F)cc1)=O)CC2)C(N(C3)C)=O)cc4~   -0.550
156 O(C(=O)C)CC(C)C~    0.450
157 Fc1ccc(cc1)C(=O)CCCN1CCC2(N(CN(C)C2=O)c2ccccc2)CC1~    0.460
158 s1cc(nc1N=C(N)N)-c1cc(N)ccc1~   -1.150
159 CC(=O)NC1=CC(=CC=C1)C2=CSC(=N2)N=C(N)N~   -1.570
160 OC~    0.020
163 C1C(C)C(CCC1C)C~    1.020
164 CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2~    0.493
165 O=C1N(C)C(=O)N(C2=NC=NC12)C~   -0.299
166 O(C(=O)Nc1ccccc1)c1cc2c(N(C3N(CCC23C)C)C)cc1~    1.000
167 S=C1NC(=O)C(C(CCC)C)(CC)C(=O)N1~   -0.142
168 C1CCCCC1~    1.015
169 C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F~    1.380
170 O(C)c1cc2c(nccc2C(O)C2C3CC(C(C2)CC3)C=C)cc1~    0.100
171 O=C1N(C)C(CC1)c1cccnc1~   -0.348
173 CC(C)CO~   -0.170
174 FCCCCCCCCn1ccnc1[N+](=O)[O-]~   -0.170
175 O(CCCNc1ncccc1)c1cc(ccc1)CN1CCCCC1~    0.690
177 CN(C)CC1=CC=C(CSCCNC2=NC=C(CC3=CN=C(C)C=C3)C(=O)N2)O1~   -1.060
178 n1cc(ccc1)C1N(CCC1)C~    0.236
179 ClC(Cl)CCl~   -0.100
180 CCCCCC1(CC)C(=O)NC(=O)NC1=O~    0.086
181 O(C(=O)c1ccc(N)cc1)CCCC~    0.420
182 O(C(=O)C)C~   -0.134
183 CC(=O)NC1=CC=C(C=C1)O~   -0.330
184 ClC=C(F)F~   -0.020
185 OC(C(O)C(O)CO)C(O)CO~   -1.600
186 ClCCN(CCCl)c1ccc(cc1)CCCC(OC(C)(C)C)=O~    1.000
189 O=C1NC(=O)NC(=O)C1(CCCCCCC)CC~    0.017
190 CN1C=NC2=C1C(=O)N(C(=O)N2C)C~   -0.033
191 O(C)c1cc(ccc1OC)C(C(C)C)(CCCN(CCc1cc(OC)c(OC)cc1)C)C#N~   -0.640
193 O(CCCO)c1cc(ccc1)CN1CCCCC1~   -0.020
194 [nH]1nc(nc1N)-c1cc(ncc1)N(C)C~   -1.170
196 O(c1cc(ccc1OC)C1CC(=O)NC1)C1CCCC1~    0.610
197 C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F~    1.340
201 CN1CN(C2=CC=CC=C2)C3(CCN(CCCC(=O)C4=CSC(=C4)I)CC3)C1=O~   -0.250
202 CN(C)CC1=CC=C(O1)SCCNC2=C(C(=C[NH]2)CC3=CC=CC=C3)[N+]([O-])=O~   -0.730
203 CNC(C[N+]([O-])=O)=NCCSC1=CC=C(CN(C)C)O1~   -1.230
204 CCCN(CCC)CCC1=CC(=C2NC(=O)CC2=C1)O~   -0.430
206 COC1=CC2=C(C=C1CNC3C4CCN(C4)C3C(C5=CC=CC=C5)C6=CC=CC=C6)N(CC2)[S](C)(=O)=O~   -1.000
209 FCCC2=CC(N)=C(C=C2)SC1=CC=CC=C1N(C)C~    0.548
211 CN(C)Cc1ccc(o1)SCCNc2c(N(=O)=O)cc[nH]2~   -1.120
212 CN(C)Cc1ccc(o1)SCCNc2c(N(=O)=O)c(Cc3ccccc3)c[nH]2~   -0.730
213 Clc1cc(OC2CCN(CC2)CCC2N(S(=O)(=O)c3cc4[nH]ccc4cc3)CCC2)ccc1~   -0.046
215 O=[N+]([O-])C1=CC=NC1Nc1cc(ccc1)-c1nccc(c1)CN(C)C~   -0.280
217 S(Cc1ncccc1)CCNC1N=CC=C1[N+](=O)[O-]~   -0.660
218 S(Cc1oc(cc1)CN(C)C)CCNC1N=CC=C1[N+](=O)[O-]~   -1.120
219 o1c(ccc1CN(C)C)-c1cc(NC2N=CC=C2[N+](=O)[O-])ccc1~   -0.270
220 C(CNC1=NCCS1)COC1=CC(CN2CCCCC2)=CC=C1~    0.440
221 [O-][N+](C1=CC=NC1NCCSCc2ncccc2Br)=O~   -0.670
223 CN(C)Cc1oc(CSCCNC2C([N+]([O-])=O)=CC=N2)cc1~   -1.120
226 ClC1=CC=CC(OC2CCN(CCC3CCCN3S(C4=CC(N([H])C=C5)=C5C=C4)(=O)=O)CC2)=C1~   -0.046
228 IC1=CC(C(CCCN4CCC2(CC4)C(N(CN2C3=CC=CC=C3)C)=O)=O)=CS1~   -0.254
229 CN(CC1=CC=C(SCCNC2=C(C(CC3=CC=CC=C3)=CN2)N(=O)=O)O1)C~   -0.730
231 CCCC(CCC)C(=O)O~   -0.220
