60-35-5 CC(N)=O 1.58
60-34-4 CNN 1.34
64-19-7 CC(O)=O 1.22
123-75-1 C1CCCN1 1.15
127-07-1 NC([NH]O)=O 1.12
56-81-5 OC(CO)CO 1.12
127-19-5 CC(N(C)C)=O 1.11
289-80-5 c1cccnn1 1.1
289-95-2 c1ccncn1 1.1
50-70-4 OC(CO)C(O)C(O)C(O)CO 1.09
541-48-0 CC(N)CC(O)=O 1.08
110-85-0 C1CNCCN1 1.07
110-89-4 C1CCCCN1 1.07
626-64-2 Oc1ccncc1 1.02
72762-00-6 Oc1ncccc1 1.02
110-94-1 OC(CCCC(O)=O)=O 1
109-02-4 CN1CCOCC1 1
598-55-0 NC(OC)=O 0.97
694-85-9 O=C(C=CC=C1)N1C 0.96
79-11-8 OC(CCl)=O 0.93
51-79-6 NC(OCC)=O 0.85
63-75-2 O=C(C1=CCCN(C)C1)OC 0.81
108-46-3 Oc1cc(O)ccc1 0.81
110-86-1 c1cnccc1 0.76
109-07-9 CC1CNCCN1 0.74
@57-48-7 O1CC(O)C(O)C(O)C1(O)CO 0.64
120-80-9 Oc1c(O)cccc1 0.62
98-92-0 NC(c1cccnc1)=O 0.61
51953-17-4 O=C1NC=NC=C1 0.59
123-38-6 CCC=O 0.58
107-31-3 C(OC)=O 0.58
107-02-8 C=CC=O 0.57
109-99-9 C1CCOC1 0.56
78-93-3 CC(CC)=O 0.52
106-55-8 CC1NCC(C)NC1 0.49
109-87-5 COCOC 0.48
108-48-5 Cc1nc(C)ccc1 0.45
589-93-5 Cc1ccc(C)nc1 0.4
87-72-9 OC1COC(O)C(O)C1O 0.39
108-47-4 Cc1cc(C)ncc1 0.38
583-61-9 Cc(cccn1)c1C 0.38
485-35-8 O=C1N(CC3CNCC2C3)C2=CC=C1 0.36
643-12-9 OC1C(O)C(O)C(O)C(O)C1O 0.35
4170-30-3 CC=CC=O 0.32
80-60-4 CCC(C(O)=O)N 0.31
123-56-8 O=C(CC1)NC1=O 0.3
79-31-2 CC(C)C(O)=O 0.28
626-67-5 CN1CCCCC1 0.23
123-54-6 CC(CC(C)=O)=O 0.22
109-94-4 C(OCC)=O 0.15
107-13-1 C=CC#N 0.15
96-47-9 CC1CCCO1 0.11
4248-19-5 CC(C)(C)OC(N)=O 0.1
75-85-4 CCC(C)(O)C 0.08
100-63-0 NNc1ccccc1 0.07
78-83-1 CC(C)CO 0.04
597-35-3 O=S(CC)(CC)=O 0.04
91-18-9 c12nccnc1ncnc2 0.02
54-85-3 O=C(c1ccncc1)NN 0.01
108-95-2 Oc1ccccc1 0
123-72-8 CCCC=O -0.01
481-37-8 CN1C2CCC1C(C(O)=O)C(O)C2 -0.02
142-68-7 C1CCOCC1 -0.03
15414-82-1 CCC1NC(=O)NC1(=O) -0.06
10004-44-1 Cc1cc(O)no1 -0.07
72-19-5 NC(C(O)=O)C(O)C -0.09
60-29-7 CCOCC -0.09
98-01-1 C(c1ccco1)=O -0.1
2432-20-4 Cc1nc(nccn2)c2cn1 -0.12
52-67-5 NC(C(O)=O)C(C)(S)C -0.13
121-44-8 CCN(CC)CC -0.14
109-97-7 c1ccc[nH]1 -0.17
488-73-3 OC1C(O)C(O)CC(O)C1O -0.17
479-18-5 OC(CO)Cn(cn1)c(C(N2C)=O)c1N(C2=O)C -0.17
100-75-4 O=NN1CCCCC1 -0.17
107-87-9 CC(CCC)=O -0.19
107-92-6 OC(CCC)=O -0.19
1596-84-5 CN(NC(CCC(O)=O)=O)C -0.2
110-15-6 OC(CCC(O)=O)=O -0.2
598-75-4 CC(C)C(O)C -0.2
96-33-3 O=C(OC)C=C -0.22
584-02-1 CCC(O)CC -0.24
145-73-3 O=C(C(C2OC1CC2)C1C(O)=O)O -0.27
6032-29-7 CC(O)CCC -0.29
2385-74-2 OC(=O)CC(C)(C(=O)O)C(C)(C)C(=O)O -0.29
542-76-7 ClCCC#N -0.29
90-01-7 Oc1c(CO)cccc1 -0.29
2114-15-0 NC(OCC(C)C)=O -0.3
461-58-5 NC(=NC(#N))N -0.31
77-74-7 CC(CC)(O)CC -0.38
106-50-3 Nc1ccc(N)cc1 -0.38
557-17-5 COCCC -0.39
19550-30-2 OCC(C)C(C)C -0.39
100-51-6 OCc1ccccc1 -0.4
63-68-3 OC(C(N)CCSC)=O -0.42
95-54-5 Nc(cccc1)c1N -0.42
299-42-3 OC(C(C)NC)c1ccccc1 -0.42
108-93-0 OC1CCCCC1 -0.44
4396-01-4 CC(CC1CCCCN1)=O -0.45
109-00-2 Oc1cccnc1 -0.46
93-60-7 O=C(c1cccnc1)OC -0.46
2432-21-5 Cc1ncnc2c1nccn2 -0.47
7568-93-6 NCC(O)c1ccccc1 -0.48
51-34-3 O=C(C(CO)c3ccccc3)OC2CC1C(O4)C4C(C2)N1C -0.48
110-74-7 O=COCCC -0.49
37517-28-5 NCCC(C(NC2CC(C(C(C2OC3OC(C(C(C3O)N)O)CO)O)OC1OC(C(C(C1O)O)O)CN)N)=O)O -0.5
624-95-3 OCCC(C)(C)C -0.5
71-00-1 n1c(c[nH]c1)CC(N)C(O)=O -0.53
94-96-2 CCCC(O)C(CC)CO -0.54
56-85-9 OC(C(N)CCC(N)=O)=O -0.55
75-56-9 CC1CO1 -0.59
108-94-1 O=C1CCCCC1 -0.6
102-76-1 CC(OCC(OC(C)=O)COC(C)=O)=O -0.6
464-07-3 CC(C)(C)C(O)C -0.62
58-15-1 O=C1N(c2ccccc2)N(C)C(C)=C1N(C)C -0.63
75-09-2 C(Cl)(Cl) -0.63
592-35-8 NC(OCCCC)=O -0.66
628-32-0 CCOCCC -0.66
105-37-3 O=C(CC)OCC -0.66
108-39-4 Oc1cccc(C)c1 -0.68
103-70-8 O=CNc1ccccc1 -0.68
106-48-9 Oc1ccc(Cl)cc1 -0.7
108-43-0 Oc1cccc(Cl)c1 -0.7
106-44-5 Oc1ccc(C)cc1 -0.7
565-67-3 CC(C)C(O)CC -0.7
122-99-6 OCCOc1ccccc1 -0.71
565-60-6 CC(O)C(C)CC -0.72
109-60-4 CC(OCCC)=O -0.72
594-83-2 CC(C)(O)C(C)(C)C -0.72
95-55-6 Nc(cccc1)c1O -0.72
120-07-0 OCCN(c1ccccc1)CCO -0.73
140-88-5 O=C(C=C)OCC -0.74
100-02-7 Oc1ccc(N(=O)=O)cc1 -0.74
100-65-2 O[NH]c1ccccc1 -0.74
70-47-3 NC(CC(N)C(O)=O)=O -0.74
29883-15-6 N#CC(c1ccccc1)OC(C(C(O)C2O)O)OC2COC(C(C(O)C3O)O)OC3CO -0.77
629-14-1 CCOCCOCC -0.77
95-14-7 c12ccccc1[nH]nn2 -0.78
123-30-8 Nc1ccc(O)cc1 -0.8
615-77-0 O=C(NC1=O)N(C=C1)C -0.8
623-37-0 OC(CC)CCC -0.8
80-62-6 C=C(C)C(OC)=O -0.8
3124-46-7 CC(C)(C)COC(=O)N -0.8
105-53-3 O=C(OCC)CC(OCC)=O -0.82
110-00-9 c1ccco1 -0.82
623-42-7 CCCC(OC)=O -0.82
539-86-6 C=CCS(SCC=C)=O -0.83
1629-60-3 C=CC(CCC)=O -0.83
59-67-6 O=C(O)c1cnccc1 -0.84
110-62-3 CCCCC=O -0.85
684-93-5 CN(N=O)C(N)=O -0.85
109-92-2 CCOC=C -0.85
108-44-1 Cc1cc(N)ccc1 -0.85
597-49-9 CCC(O)(CC)CC -0.85
138-52-3 OC(C(C(C(CO)O2)O)O)C2Oc1ccccc1CO -0.85
90-02-8 O=Cc1c(O)cccc1 -0.86
1125-84-4 Clc1nc(ncnc2)c2nc1 -0.87
589-91-3 CC(CC1)CCC1O -0.88
1540-35-8 CC(C(C(C)=O)CCC)=O -0.88
74-97-5 ClCBr -0.89
103-82-2 OC(Cc1ccccc1)=O -0.89
591-07-1 CC(NC(N)=O)=O -0.9
204443-27-6 COc1nc(ncnc2)c2nc1 -0.91
98-85-1 CC(c1ccccc1)O -0.92
625-06-9 CC(C)(O)CC(C)C -0.92
123-25-1 O=C(CCC(OCC)=O)OCC -0.96
16529-66-1 CC=CCC#N -0.96
55-21-0 NC(c1ccccc1)=O -0.96
123-08-0 Oc1ccc(C=O)cc1 -0.96
58-08-2 O=C(N(C)c2c1n(C)cn2)N(C)C1=O -0.97
122-80-5 CC(Nc1ccc(N)cc1)=O -0.98
106-51-4 O=C(C=C1)C=CC1=O -0.99
628-28-4 CCCCOC -0.99
74-88-4 CI -1
597-96-6 CCC(C)(O)CCC -1
542-55-2 O=COCC(C)C -1.01
103-90-2 O=C(Nc(cc1)ccc1O)C -1.03
496-15-1 c12ccccc1NCC2 -1.04
51-21-8 O=C(NC=C1F)NC1=O -1.07
625-23-0 CC(C)(O)CCCC -1.08
106-41-2 Brc1ccc(O)cc1 -1.09
74-96-4 CCBr -1.09
108-20-3 CC(C)OC(C)C -1.1
122-59-8 O=C(O)COc1ccccc1 -1.1
102170-44-5 COc2ncc1nccnc1n2 -1.11
30564-38-6 COc2c1nccnc1ncn2 -1.11
51-67-2 NCCc1ccc(O)cc1 -1.12
66-81-9 OC(C(CC(C)CC1C)C1=O)CC(CC2=O)CC(N2)=O -1.13
626-89-1 CC(C)CCCO -1.14
71-30-7 NC1=NC(NC=C1)=O -1.14
273-53-0 c12c(cccc2)nco1 -1.16
5819-08-9 S(=O)(CCCl)CCCl -1.16
97-95-0 CCC(CO)CC -1.17
67-66-3 ClC(Cl)(Cl) -1.17
105-67-9 Oc1ccc(C)cc1C -1.19
100-52-7 O=C(c1ccccc1) -1.19
589-18-4 OCc1ccc(C)cc1 -1.2
5826-73-3 O=C(OC)C(C2C(OC)=O)C1CC2C=C1 -1.2
106-63-8 O=C(C=C)OCC(C)C -1.21
18559-94-9 CC(C)(NCC(c1cc(CO)c(O)cc1)O)C -1.22
600-36-2 CC(C)C(O)C(C)C -1.22
73-22-3 O=C(O)C(N)Cc1c[nH]c2c1cccc2 -1.23
144-80-9 O=S(NC(C)=O)(c1ccc(N)cc1)=O -1.23
123-86-4 CC(OCCCC)=O -1.24
111-27-3 CCCCCCO -1.24
50-71-5 O=C(C(N1)=O)C(NC1=O)=O -1.25
7294-05-5 CC(C)(C)C(C)(O)CC -1.27
98-86-2 CC(c1ccccc1)=O -1.28
99-03-6 CC(c1cc(N)ccc1)=O -1.28
105-54-4 CCCC(OCC)=O -1.28
75-34-3 CC(Cl)Cl -1.29
51-66-1 CC(Nc1ccc(OC)cc1)=O -1.3
91-22-5 c1(cccn2)c2cccc1 -1.3
66-25-1 CCCCCC=O -1.3
107-04-0 BrCCCl -1.32
103-84-4 CC(Nc1ccccc1)=O -1.33
110-12-3 CC(CCC(C)C)=O -1.33
90-00-6 CCc(cccc1)c1O -1.36
624-24-8 CCCCC(OC)=O -1.36
556-88-7 N=C(N)NN(=O)=O -1.37
108-42-9 Clc1cc(N)ccc1 -1.37
122-97-4 OCCCc1ccccc1 -1.38
627-59-8 CC(O)CCC(C)C -1.38
57-44-3 O=C(C(CC)(CC)C(N1)=O)NC1=O -1.39
108-68-9 Cc1cc(C)cc(O)c1 -1.4
59-46-1 O=C(c(cc1)ccc1N)OCCN(CC)CC -1.4
533-17-5 CC(Nc(cccc1)c1Cl)=O -1.4
589-55-9 CCCC(O)CCC -1.4
501-52-0 O=C(O)CCc1ccccc1 -1.41
110-43-0 CC(CCCCC)=O -1.42
366-18-7 c1(c2ncccc2)ccccn1 -1.42
526-75-0 Cc(c(O)ccc1)c1C -1.43
111-92-2 CCCCNCCCC -1.44
110-02-1 c1cccs1 -1.45
119-65-3 c1(ccnc2)c2cccc1 -1.45
88-13-1 O=C(O)c1cscc1 -1.47
540-54-5 ClCCC -1.47
79-00-5 ClC(Cl)CCl -1.48
123-11-5 O=Cc1ccc(OC)cc1 -1.49
471-03-4 S(=O)(=O)(CCCl)CCCl -1.5
352-97-6 O=C(O)CNC(N)=N -1.51
120-72-9 c1(cccc2)c2[nH]cc1 -1.52
2370-12-9 OCC(C)(C)CCC -1.52
118-92-3 OC(c1ccccc1N)=O -1.52
76-57-3 OC(C=C4)C2C5(C4C(N(C)CC5)C3)c1c3ccc(OC)c1O2 -1.52
100-46-9 NCc1ccccc1 -1.53
553-26-4 c1(c2ccncc2)ccncc1 -1.54
95-87-4 Oc1cc(C)ccc1C -1.54
3121-79-7 OCCCC(C)(C)C -1.55
65-85-0 OC(c1ccccc1)=O -1.55
96-88-8 CN1CCCCC1C(Nc2c(C)cccc2C)=O -1.55
204443-30-1 CSc1nc(ncnc2)c2nc1 -1.55
120-83-2 Clc(cc(Cl)cc1)c1O -1.55
543-49-7 CCCCCC(O)C -1.55
14090-87-0 CCCCC(=O)CC(=O)C -1.56
97-53-0 Oc1c(OC)cc(CC=C)cc1 -1.56
708-79-2 CN2C(NC(N1)=C(C2=O)NC1=O)=O -1.56
59-50-7 Cc(cc(O)cc1)c1Cl -1.57
6988-21-2 CNC(Oc1c(C2OCCO2)cccc1)=O -1.57
122-85-0 CC(Nc(cc1)ccc1C=O)=O -1.58
619-45-4 O=C(c1ccc(N)cc1)OC -1.59
96-09-3 C1(c2ccccc2)CO1 -1.6
78-87-5 CC(Cl)CCl -1.6
3002-23-1 O=C(CC(C)=O)CC(C)C -1.6
57837-19-1 Cc1c(N(C(C(OC)=O)C)C(COC)=O)c(C)ccc1 -1.6
433-97-6 FC(F)(F)c1c(C(O)=O)cccc1 -1.6
6305-71-1 OCC(C)CC(C)C -1.6
101-42-8 O=C(Nc1ccccc1)N(C)C -1.6
121-61-9 NS(=O)(c(cc1)ccc1NC(C)=O)=O -1.61
22862-76-6 OC(C2OC(C)=O)CNC2Cc1ccc(OC)cc1 -1.61
39196-18-4 CNC(ON=C(C(C)(C)C)CSC)=O -1.62
37764-25-3 O=C(N(CC=C)CC=C)C(Cl)Cl -1.62
142-28-9 ClCCCCl -1.62
111-43-3 CCCOCCC -1.62
120-57-0 O=Cc1cc(OCO2)c2cc1 -1.63
71-43-2 c1ccccc1 -1.64
75-35-4 C=C(Cl)Cl -1.64
81-07-2 O=S(c1ccccc1C2=O)(N2)=O -1.64
470-82-6 CC2(CC1)CCC1C(O2)(C)C -1.64
77-28-1 O=C(N1)NC(C(CCCC)(CC)C1=O)=O -1.64
106-47-8 Clc1ccc(N)cc1 -1.66
57-53-4 CC(COC(N)=O)(CCC)COC(N)=O -1.67
622-45-7 CC(OC1CCCCC1)=O -1.67
121-92-6 O=N(=O)c1cc(C(O)=O)ccc1 -1.68
106-93-4 BrCCBr -1.68
1918-00-9 O=C(O)c1c(OC)c(Cl)ccc1Cl -1.7
103-69-5 CCNc1ccccc1 -1.7
111-71-7 CCCCCCC=O -1.7
151-67-7 FC(F)(F)C(Cl)Br -1.71
77-02-1 O=C(N1)NC(C(C(C)C)(CC=C)C1=O)=O -1.71
625-25-2 CC(O)(C)CCCCC -1.72
31367-46-1 CC(O)C(C)CCCC -1.72
106-34-3 O=C1C=CC(c2cc(ccc2O)O)(C=C1)O -1.73
106-94-5 BrCCC -1.73
88-75-5 Oc1ccccc1N(=O)=O -1.74
79-34-5 ClC(Cl)C(Cl)Cl -1.74
70-55-3 NS(=O)(c1ccc(C)cc1)=O -1.74
539-82-2 CCCCC(OCC)=O -1.75
16878-77-6 CSc2ncc1nccnc1n2 -1.76
65-45-2 NC(c(cccc1)c1O)=O -1.76
137-58-6 Cc1c(NC(CN(CC)CC)=O)c(C)ccc1 -1.76
110-44-1 CC=CC=CC(O)=O -1.77
103-85-5 NC(Nc1ccccc1)=S -1.77
141-84-4 O=C(CS1)NC1=S -1.77
99-76-3 Oc1ccc(C(OC)=O)cc1 -1.78
121-79-9 O=C(OCCC)c1cc(O)c(O)c(O)c1 -1.78
351-83-7 CC(Nc(cc1)ccc1F)=O -1.78
98-95-3 O=N(=O)c1ccccc1 -1.8
1129-41-5 O=C(NC)Oc1cc(C)ccc1 -1.8
462-06-6 Fc1ccccc1 -1.8
111-70-6 CCCCCCCO -1.81
69-72-7 Oc1ccccc1C(O)=O -1.82
93-55-0 O=C(c1ccccc1)CC -1.83
554-57-4 CC(N=C1SC(S(N)(=O)=O)=NN1C)=O -1.83
77-06-5 CC15C(O)C=CC2(OC5=O)C1C(C(O)=O)C3(CC4=C)C2CCC4(O)C3 -1.84
142-96-1 CCCCOCCCC -1.85
100-66-3 COc1ccccc1 -1.85
99-66-1 O=C(O)C(CCC)CCC -1.86
467-98-1 O=C(C=C3)CC(C34CC2)(CCN4C)c1c2ccc(OC)c1O -1.87
591-24-2 O=C1CC(C)CCC1 -1.87
90-39-1 C12CCCCN1CC(C(CCCC4)N4C3)CC23 -1.89
628-63-7 O=C(OCCCCC)C -1.89
57-42-1 O=C(OCC)C1(c2ccccc2)CCN(C)CC1 -1.89
569-31-3 COc1c(C2=O)c(CO2)ccc1OC -1.89
123-99-9 O=C(O)CCCCCCCC(O)=O -1.89
124-48-1 ClC(Br)(Br) -1.9
75-25-2 C(Br)(Br)Br -1.91
101-31-5 CN1C2CCC1CC(OC(C(CO)c3ccccc3)=O)C2 -1.91
2623-33-8 CC(Nc(cc1)ccc1OC(C)=O)=O -1.91
105-66-8 CCCC(OCCC)=O -1.92
519-05-1 O=C(c(c(C=O)ccc1OC)c1OC)O -1.92
2114-20-7 NC(OCCCCCC)=O -1.92
121-69-7 CN(C)c1ccccc1 -1.92
620-71-3 O=C(CC)Nc1ccccc1 -1.92
123-92-2 CC(OCCC(C)C)=O -1.92
65-86-1 O=C(C(NC1=O)=CC(N1)=O)O -1.93
27134-24-3 OC(c1ccccc1)C(c2ccccc2)O -1.93
94-19-9 O=S(c1ccc(N)cc1)(Nc2nnc(CC)s2)=O -1.94
93-37-8 Cc(cc2)cc1c2ccc(C)n1 -1.94
23103-98-2 CN(C)c1nc(C)c(C)c(OC(N(C)C)=O)n1 -1.95
91-23-6 COc(cccc1)c1N(=O)=O -1.96
104-98-3 O=C(O)C=Cc1c[nH]cn1 -1.96
78-86-4 CC(Cl)CC -1.96
88-74-4 Nc1ccccc1N(=O)=O -1.96
628-41-1 C1=CCC=CC1 -1.97
1125-78-6 Oc(cc2)cc1c2CCCC1 -1.99
71-55-6 CC(Cl)(Cl)Cl -2
88-19-7 Cc1ccccc1S(N)(=O)=O -2.02
109-69-3 ClCCCC -2.03
111-13-7 CC(CCCCCC)=O -2.05
114-26-1 O=C(NC)Oc(cccc1)c1OC(C)C -2.05
968-81-0 O=S(c1ccc(C(C)=O)cc1)(NC(NC2CCCCC2)=O)=O -2.06
492-38-6 C=C(C(O)=O)c1ccccc1 -2.06
2244-16-8 CC1=CCC(C(C)=C)CC1=O -2.06
118-90-1 O=C(c(cccc1)c1C)O -2.06
486-64-6 c1ccc2C(O)N3CCC(O)C3=Nc2c1 -2.07
87-51-4 OC(Cc1c[nH]c2c1cccc2)=O -2.07
499-75-2 CC(c1cc(O)c(C)cc1)C -2.08
537-92-8 CC(Nc1cc(C)ccc1)=O -2.09
87-47-8 O=C(N(C)C)Oc1cc(C)nn1c2ccccc2 -2.09
75-30-9 CC(I)C -2.09
591-93-5 C=CCC=C -2.09
123-96-6 CC(O)CCCCCC -2.09
357-57-3 O=C(C5)N(C4C2(CC7)C(N7C6)CC3C6=CCOC5C34)c1c2cc(OC)c(OC)c1 -2.09
15258-73-8 OCc(c(Cl)ccc1)c1Cl -2.1
104-76-7 OCC(CC)CCCC -2.11
88-99-3 OC(c1ccccc1C(O)=O)=O -2.11
51-55-8 CN1C2CCC1CC(OC(C(CO)c3ccccc3)=O)C2 -2.12
108-98-5 Sc1ccccc1 -2.12
73-24-5 Nc1ncnc2c1nc[nH]2 -2.12
533-74-4 CN(CN(C)CS1)C1=S -2.13
99-04-7 O=C(c1cc(C)ccc1)O -2.14
59-31-4 c1ccc2C=CC(=O)Nc2c1 -2.14
30979-48-7 O=C1NCCN1C(NCC(C)C)=O -2.15
544-25-2 C1=CC=CC=CC1 -2.15
614-61-9 O=C(O)COc(cccc1)c1Cl -2.16
580-16-5 Oc(cc2)cc1c2nccc1 -2.16
52-31-3 O=C(N1)NC(C(C2=CCCCC2)(CC)C1=O)=O -2.17
150-69-6 NC(Nc1ccc(OCC)cc1)=O -2.17
115-43-5 O=C(N1)NC(C(c2ccccc2)(CC=C)C1=O)=O -2.18
339-43-5 O=S(NC(NCCCC)=O)(c(cc1)ccc1N)=O -2.18
630-20-6 ClC(Cl)(Cl)CCl -2.18
6236-05-1 O=N(c1ccc(C=NO)o1)=O -2.19
99-09-2 Nc1cccc(N(=O)=O)c1 -2.19
76-76-6 O=C(N1)NC(C(C(C)C)(CC)C1=O)=O -2.21
108-88-3 Cc1ccccc1 -2.21
76-93-7 OC(c1ccccc1)(c2ccccc2)C(O)=O -2.21
90-15-3 Oc2cccc1ccccc12 -2.22
89-83-8 Cc1cc(O)c(C(C)C)cc1 -2.22
76466-16-5 OC(C(C)Oc1ccccc1Cl)=O -2.22
55-63-0 O=N(OCC(ON(=O)=O)CON(=O)=O)=O -2.22
50-11-3 O=C(N1C)NC(C(CC)(CC)C1=O)=O -2.23
94-74-6 O=C(O)COc(ccc(Cl)c1)c1C -2.23
5221-53-4 CCCCc(c(O)nc(N(C)C)n1)c1C -2.24
515-64-0 Cc1cc(NS(=O)(c2ccc(cc2)N)=O)nc(C)n1 -2.24
614-80-2 CC(Nc(cccc1)c1O)=O -2.24
141-90-2 S=C(NC=C1)NC1=O -2.26
135-19-3 Oc2cc1ccccc1cc2 -2.28
#28176-10-5 O=C(NC1=O)C(N(=O)=O)C(N1)=O -2.28
107-08-4 ICCC -2.29
124-07-2 CCCCCCCC(O)=O -2.3
115-90-2 S=P(OCC)(OCC)Oc1ccc(S(C)=O)cc1 -2.3
2367-82-0 Fc1c(F)c(F)cc(F)c1 -2.31
56-23-5 ClC(Cl)(Cl)Cl -2.31
93-89-0 O=C(OCC)c1ccccc1 -2.32
507-70-0 CC1(C)C2CCC1(C)C(O)C2 -2.32
526-08-9 Nc1ccc(S(=O)(Nc2ccnn2c3ccccc3)=O)cc1 -2.32
94-12-2 O=C(c(cc1)ccc1N)OCCC -2.33
537-47-3 O=C(NN)Nc1ccccc1 -2.33
119-36-8 Oc1c(cccc1)C(OC)=O -2.34
88-06-2 Oc(c(Cl)cc(Cl)c1)c1Cl -2.34
77-21-4 CCC(CCC2=O)(c1ccccc1)C(N2)=O -2.34
579-66-8 Nc1c(CC)cccc1CC -2.35
84-66-2 O=C(OCC)c1ccccc1C(OCC)=O -2.35
120-47-8 O=C(c1ccc(O)cc1)OCC -2.35
124-13-0 CCCCCCCC=O -2.36
693-02-7 C#CCCCC -2.36
2163-69-1 O=C(NC1CCCCCCC1)N(C)C -2.36
6966-78-5 CSc2c1nccnc1ncn2 -2.36
16878-76-5 S=C2N=CC1=C(N2)N=CC=N1 -2.36
62-44-2 CCOc1ccc(NC(C)=O)cc1 -2.37
109-65-9 CCCCBr -2.37
108-90-7 Clc1ccccc1 -2.38
96-12-8 BrC(CCl)CBr -2.38
91-15-6 N#Cc1ccccc1C#N -2.38
315-30-0 Oc1c(cn[nH]2)c2ncn1 -2.38
100-44-7 ClCc1ccccc1 -2.39
90-43-7 Oc(cccc2)c2c1ccccc1 -2.39
100-68-5 CSc1ccccc1 -2.39
541-33-3 ClC(Cl)CCC -2.4
121-98-2 O=C(c(cc1)ccc1OC)OC -2.41
144-82-1 Cc1nnc(NS(=O)(c2ccc(N)cc2)=O)s1 -2.41
100-17-4 O=N(c1ccc(OC)cc1)=O -2.41
83-34-1 Cc1c[nH]c2c1cccc2 -2.42
78-77-3 CC(C)CBr -2.43
56-04-2 S=C(NC(C)=C1)NC1=O -2.43
72-14-0 Nc1ccc(S(Nc2nccs2)(=O)=O)cc1 -2.43
5259-88-1 O=C(C(S(=O)(CCO2)=O)=C2C)Nc1ccccc1 -2.43
99-08-1 O=N(c1cc(C)ccc1)=O -2.44
729-99-7 O=S(c1ccc(N)cc1)(Nc2nc(C)c(C)o2)=O -2.44
636-26-0 n(cc(c(n1)O)C)c1S -2.45
120-36-5 CC(C(O)=O)Oc(ccc(Cl)c1)c1Cl -2.45
133-90-4 O=C(O)c1c(Cl)c(N)cc(Cl)c1 -2.47
5902-51-2 O=C(N1C(C)(C)C)C(Cl)=C(C)NC1=O -2.48
621-82-9 OC(C=Cc1ccccc1)=O -2.48
1918-16-7 O=C(CCl)N(C(C)C)c1ccccc1 -2.48
94-75-7 Clc1c(OCC(O)=O)ccc(Cl)c1 -2.51
127-33-3 O=C2c1c(O)ccc(Cl)c1C(O)C3C2=C(O)C(C(C(C(N)=O)=C(O)C4N(C)C)=O)(O)C4C3 -2.52
76-74-4 CC(C(C(NC1=O)=O)(C(N1)=O)CC)CCC -2.52
2460-49-3 COc1c(O)cc(Cl)c(Cl)c1 -2.53
646-04-8 CC=CCC -2.54
352-11-4 ClCc(cc1)ccc1F -2.54
578-67-6 Oc1c(cccn2)c2ccc1 -2.54
3772-76-7 COc1cc(NS(=O)(c2ccc(cc2)N)=O)nc(C)n1 -2.54
93-65-2 Clc1cc(C)c(OC(C)C(O)=O)cc1 -2.55
24691-76-7 CC1=C(C(Nc2ccccc2)=O)CCCO1 -2.56
57-43-2 O=C(N1)NC(C(CCC(C)C)(CC)C1=O)=O -2.57
651-06-9 COc1cnc(NS(=O)(c2ccc(cc2)N)=O)nc1 -2.58
821-55-6 CC(CCCCCCC)=O -2.58
110-83-8 C1=CCCCC1 -2.59
535-80-8 OC(c1cc(Cl)ccc1)=O -2.59
872-55-9 CCc1cccs1 -2.59
91-75-8 C1(CN(c3ccccc3)Cc2ccccc2)=NCCN1 -2.6
76-01-7 C(Cl)(Cl)C(Cl)(Cl)Cl -2.6
12771-68-5 COc1ccc(C(C2CC2)(c3cncnc3)O)cc1 -2.6
3813-05-6 OC(CN1C(Sc2c1c(Cl)ccc2)=O)=O -2.61
723-46-6 O=S(Nc1noc(C)c1)(c2ccc(N)cc2)=O -2.62
4248-20-8 NC(OCCCCCCC)=O -2.62
58-93-5 O=S(c1c2cc(Cl)c(S(N)(=O)=O)c1)(NCN2)=O -2.62
87-33-2 C12C(ON(=O)=O)COC1C(ON(=O)=O)CO2 -2.63
70-69-9 O=C(c1ccc(N)cc1)CC -2.63
625-29-6 CC(Cl)CCC -2.63
287-92-3 C1CCCC1 -2.64
91-81-6 CN(CCN(c2ncccc2)Cc1ccccc1)C -2.64
91-80-5 CN(C)CCN(c2ccccn2)Cc1cccs1 -2.64
86-87-3 OC(Cc2cccc1ccccc12)=O -2.65
25057-89-0 CC(C)N2C(c1ccccc1NS2(=O)=O)=O -2.68
592-42-7 C=CCCC=C -2.68
109-67-1 C=CCCC -2.68
230-46-6 c12c(cccn3)c3ccc1cccn2 -2.68
104-04-1 CC(Nc1ccc(N(=O)=O)cc1)=O -2.69
507-45-9 ClC(C(C)(Cl)C)C -2.69
7581-97-7 CC(Cl)C(Cl)C -2.7
92-87-5 Nc(cc2)ccc2c1ccc(N)cc1 -2.7
2432-99-7 O=C(O)CCCCCCCCCCN -2.7
106-30-9 CCCCCCC(OCC)=O -2.71
94-23-5 c1cc(OCC)ccc1C(=O)OCCN(CC)CC -2.71
94-26-8 Oc1ccc(C(OCCCC)=O)cc1 -2.72
88-67-5 OC(c1ccccc1I)=O -2.73
51218-45-2 O=C(N(c1c(C)cccc1CC)C(C)COC)CCl -2.73
543-59-9 CCCCCCl -2.73
56-29-1 O=C(N1C)NC(C(C2=CCCCC2)(C)C1=O)=O -2.74
112-05-0 CCCCCCCCC(O)=O -2.75
1918-02-1 O=C(c(nc(Cl)c(Cl)c1N)c1Cl)O -2.75
130-95-0 C(C2)(C=C)C1CC(C(O)c3ccnc4c3cc(OC)cc4)N2CC1 -2.76
65882-61-3 S=C2C1=C(N=CN2)N=CC=N1 -2.77
229-87-8 c12c(cccc3)c3ncc1cccc2 -2.78
88-04-0 Clc(c(C)cc(O)c1)c1C -2.8
95-47-6 Cc1c(C)cccc1 -2.8
22994-85-0 O=C(NCc2ccccc2)Cn1c(N(=O)=O)ncc1 -2.81
20354-26-1 CN2C(ON(C2=O)c1ccc(c(Cl)c1)Cl)=O -2.82
108-38-3 Cc1cc(C)ccc1 -2.82
4360-12-7 OC4C13C(C5N(C(O)C6CC)C(C4C6C5)C3)N(C)c2c1cccc2 -2.82
80-08-0 O=S(c1ccc(N)cc1)(c2ccc(N)cc2)=O -2.82
539-03-7 CC(Nc1ccc(Cl)cc1)=O -2.84
127-79-7 Cc1nc(NS(=O)(c2ccc(cc2)N)=O)ncc1 -2.85
738-70-5 Nc1ncc(Cc2cc(OC)c(OC)c(OC)c2)c(N)n1 -2.86
66-02-4 O=C(O)C(N)Cc1cc(I)c(O)c(I)c1 -2.86
564-25-0 O=C(C(C4=O)=C(O)C(N(C)C)C3C(O)C2C(C)c1c(C(C2=C(O)C34O)=O)c(O)ccc1)N -2.87
1698-60-8 O=C1C(Cl)=C(N)C=NN1c2ccccc2 -2.87
57-62-5 CN(C2C1CC4C(C(c3c(C4(O)C)c(Cl)ccc3O)=O)=C(C1(C(C(C(N)=O)=C2O)=O)O)O)C -2.88
150-68-5 O=C(N(C)C)Nc1ccc(Cl)cc1 -2.89
107-82-4 CC(C)CCBr -2.89
127-69-5 O=S(Nc(onc2C)c2C)(c1ccc(N)cc1)=O -2.91
83-56-7 Oc1c(cccc2O)c2ccc1 -2.92
140-67-0 C=CCc1ccc(OC)cc1 -2.92
88-96-0 NC(c(cccc1)c1C(N)=O)=O -2.92
4849-32-5 O=C(N(C)C)Nc1cc(OC(NC(C)(C)C)=O)ccc1 -2.93
437-50-3 O=C2c1c(O)cc(OC)cc1Oc(cc3)c2cc3O -2.93
542-69-8 CCCCI -2.96
122-11-2 COc1cc(NS(=O)(c2ccc(cc2)N)=O)nc(OC)n1 -2.96
957-51-7 O=C(N(C)C)C(c2ccccc2)c1ccccc1 -2.98
103-36-6 O=C(OCC)C=Cc1ccccc1 -3
709-98-8 O=C(CC)Nc1cc(Cl)c(Cl)cc1 -3
509-86-4 O=C(N1)NC(C(C2=CCCCCC2)(CC)C1=O)=O -3
143-08-8 CCCCCCCCCO -3.01
28805-78-9 O=C(NC1C2C3CCCC3C(C1)C2)N(C)C -3.01
628-71-7 C#CCCCCC -3.01
23947-60-6 CCCCc1c(O)nc(NCC)nc1C -3.02
91-66-7 CCN(c1ccccc1)CC -3.03
53648-05-8 O=C([NH]O)C(c1ccc(CC(C)C)cc1)C -3.04
834-12-8 CC(C)Nc1nc(NCC)nc(SC)n1 -3.04
58-94-6 O=S(c1c2cc(Cl)c(S(N)(=O)=O)c1)(NC=N2)=O -3.05
3149-00-6 O=S(c1ccccc1)(NC(NCCCC)=O)=O -3.05
95-50-1 Clc1c(Cl)cccc1 -3.05
485-71-2 OC(c2c(cccc4)c4ncc2)C1N(CC3)CC(C=C)C3C1 -3.07
110-53-2 BrCCCCC -3.07
480-16-0 Oc(cc(O)cc3)c3C2=C(O)C(c1c(O)cc(O)cc1O2)=O -3.08
118-10-5 OC(C3N4CC(C=C)C(CC4)C3)c1ccnc2c1cccc2 -3.09
481-06-1 CC1(CCC2C3C)C=CC(C(C)=C1C2OC3=O)=O -3.09
622-96-8 CCc1ccc(C)cc1 -3.11
53-06-5 O=C1CCC2(C)C(CCC3C2C(CC4(C)C3CCC4(O)C(CO)=O)=O)=C1 -3.11
544-10-5 ClCCCCCC -3.12
60-54-8 Oc1cccc3c1C(C2=C(O)C(C(C(C(N)=O)=C(O)C4N(C)C)=O)(O)C4CC2C3(O)C)=O -3.12
102-82-9 CCCCN(CCCC)CCCC -3.12
76-14-2 ClC(F)(F)C(F)(F)Cl -3.12
131-17-9 O=C(c(cccc1)c1C(OCC=C)=O)OCC=C -3.13
104-46-1 CC=Cc1ccc(OC)cc1 -3.13
352-34-1 Fc1ccc(I)cc1 -3.13
79-57-2 OC(C2(C(C(O)=C1C(N)=O)N(C)C))(C(O)=C(C3=O)C(C2O)(C(C)(O)c4c3c(O)ccc4))C1=O -3.14
558-13-4 BrC(Br)(Br)Br -3.14
128-62-1 COc1c(C(C4c(ccc(OC)c5OC)c5C(O4)=O)N(C)CC3)c3cc2c1OCO2 -3.14
5234-68-4 O=C(C(SCCO2)=C2C)Nc1ccccc1 -3.14
21725-46-2 Clc1nc(NC(C)(C)C#N)nc(NCC)n1 -3.15
102-07-8 O=C(Nc2ccccc2)Nc1ccccc1 -3.15
118-55-8 O=C(c(cccc2)c2O)Oc1ccccc1 -3.15
364-62-5 CCN(CCNC(c1c(OC)cc(N)c(Cl)c1)=O)CC -3.18
149-30-4 Sc2nc1ccccc1s2 -3.18
109-66-0 CCCCC -3.18
526-73-8 Cc(c(C)ccc1)c1C -3.2
108-37-2 Brc1cc(Cl)ccc1 -3.21
611-14-3 CCc(cccc1)c1C -3.21
117-34-0 O=C(O)C(c2ccccc2)c1ccccc1 -3.22
590-27-2 IC=CI -3.22
592-41-6 C=CCCCC -3.23
95-76-1 Clc(cc(N)cc1)c1Cl -3.24
53780-34-0 CC(Nc1c(C)cc(C)c(NS(=O)(C(F)(F)F)=O)c1)=O -3.24
622-50-4 CC(Nc(cc1)ccc1I)=O -3.25
15972-60-8 O=C(N(c1c(CC)cccc1CC)COC)CCl -3.26
13110-37-7 O=C(c(cc1)ccc1N)OCCCCC -3.26
7286-84-2 COC(c1c(Cl)c(N)cc(Cl)c1)=O -3.26
2188-67-2 O=C(OCCNCCCCC)c(cc1)ccc1N -3.27
618-51-9 O=C(c1cc(I)ccc1)O -3.27
591-49-1 CC1=CCCCC1 -3.27
98-82-8 CC(C)c1ccccc1 -3.27
80-35-3 COc1nnc(NS(=O)(c2ccc(cc2)N)=O)cc1 -3.28
63-25-2 O=C(NC)Oc1c(cccc2)c2ccc1 -3.28
96-37-7 CC1CCCC1 -3.3
24691-80-3 Cc1c(C(Nc2ccccc2)=O)cco1 -3.3
133-91-5 O=C(c(cc1I)c(c(I)c1)O)O -3.31
74-11-3 O=C(c1ccc(Cl)cc1)O -3.31
693-54-9 CC(CCCCCCCC)=O -3.31
95-63-6 Cc(cc(C)cc1)c1C -3.31
57-24-9 O=C(C5)N(C4C2(CC7)C(N7C6)CC3C6=CCOC5C34)c1c2cccc1 -3.32
1689-84-5 Brc1cc(C#N)cc(Br)c1O -3.33
5131-24-8 CCOP(OCC)(N2C(c1ccccc1C2=O)=O)=S -3.35
85-02-9 c12c(cccn3)c3ccc1cccc2 -3.36
76-75-5 S=C(N1)NC(C(C(C)CCC)(CC)C1=O)=O -3.36
81-25-4 OC4CCC3(C)C2CC(O)C1(C)C(C(C)CCC(O)=O)CCC1C2C(O)CC3C4 -3.37
389-08-2 CCN(C=C1C(O)=O)c(nc(C)cc2)c2C1=O -3.37
56-54-2 C1(CN2CCC1CC2(C(c3ccnc4c3cc(cc4)OC)(O)))C=C -3.37
103-65-1 CCCc1ccccc1 -3.37
76674-21-0 OC(c2ccc(F)cc2)(c3c(F)cccc3)Cn1cncn1 -3.37
111-11-5 CCCCCCCC(OC)=O -3.39
95-06-7 S=C(SCC(Cl)=C)N(CC)CC -3.39
64-77-7 O=C(NS(c1ccc(C)cc1)(=O)=O)NCCCC -3.39
1668-19-5 CN(C)CCC=C1c3c(cccc3)OCc2c1cccc2 -3.4
112-38-9 O=C(O)CCCCCCCCC=C -3.4
108-67-8 Cc1cc(C)cc(C)c1 -3.4
26225-79-6 CCOC2Oc1ccc(cc1C2(C)C)OS(C)(=O)=O -3.42
127-31-1 O=C1CCC2(C)C(CCC3C2(F)C(O)CC4(C)C3CCC4(O)C(CO)=O)=C1 -3.43
2164-17-2 O=C(Nc1cc(C(F)(F)F)ccc1)N(C)C -3.43
334-48-5 CCCCCCCCCC(O)=O -3.44
77-27-0 S=C(N1)NC(C(C(C)CCC)(CC=C)C1=O)=O -3.46
382-45-6 CC(C(CC2)=CC1=O)(CC1)C(C(C3)=O)C2C(CCC4=O)C34C -3.48
136-60-7 O=C(c1ccccc1)OCCCC -3.48
92-69-3 Oc1ccc(c2ccccc2)cc1 -3.48
583-53-9 Brc(cccc1)c1Br -3.5
68-35-9 O=S(Nc1ncccn1)(c2ccc(N)cc2)=O -3.51
122-39-4 c1(Nc2ccccc2)ccccc1 -3.51
291-64-5 C1CCCCCC1 -3.52
330-55-2 O=C(Nc1cc(Cl)c(Cl)cc1)N(C)OC -3.52
591-17-3 Cc1cc(Br)ccc1 -3.52
95-49-8 Cc(cccc1)c1Cl -3.52
86-57-7 O=N(c1c(cccc2)c2ccc1)=O -3.54
75-83-2 CC(C)(C)CC -3.55
15299-99-7 O=C(N(CC)CC)C(Oc1cccc2c1cccc2)C -3.57
80-74-0 O=S(N(C(C)=O)c1c(C)c(C)no1)(c(cc2)ccc2N)=O -3.59
73-48-3 O=S2(c1cc(S(N)(=O)=O)c(C(F)(F)F)cc1NC(Cc3ccccc3)N2)=O -3.59
120-82-1 Clc1c(Cl)cc(Cl)cc1 -3.59
87-17-2 O=C(c(cccc2)c2O)Nc1ccccc1 -3.59
91-20-3 c12ccccc1cccc2 -3.6
846-49-1 Clc(cccc1)c1C(c(cc(Cl)cc3)c3NC2=O)=NC2O -3.6
1689-83-4 Oc1c(I)cc(C#N)cc1I -3.61
43121-43-3 O=C(C(C)(C)C)C(n2cncn2)Oc1ccc(Cl)cc1 -3.61
112-30-1 CCCCCCCCCCO -3.63
106-39-8 Brc1ccc(Cl)cc1 -3.63
50-02-2 O=C1C=CC2(C)C(CCC3C2(F)C(O)CC4(C)C3CC(C)C4(O)C(CO)=O)=C1 -3.64
474-25-9 CC(CCC(O)=O)C3CCC4C2C(O)CC1CC(O)CCC1(C)C2CCC34C -3.64
50-47-5 CNCCCN1c3c(cccc3)CCc2c1cccc2 -3.66
629-05-0 C#CCCCCCC -3.66
67-72-1 ClC(Cl)(Cl)C(Cl)(Cl)Cl -3.67
94-82-6 Clc1c(ccc(Cl)c1)OCCCC(O)=O -3.67
83-88-5 Cc1cc2c(N=C(C(N3)=O)C(N2CC(O)C(O)C(O)CO)=NC3=O)cc1C -3.68
1156-19-0 O=S(NC(NN2CCCCCC2)=O)(c1ccc(C)cc1)=O -3.68
124-94-7 O=C1C=CC2(C)C(CCC3C2(F)C(O)CC4(C)C3CC(O)C4(O)C(CO)=O)=C1 -3.69
63-05-8 CC12C(CCC(C3(CCC4=O))C2CCC34C)=CC(CC1)=O -3.69
22071-15-4 O=C(c2ccccc2)c1cccc(C(C(O)=O)C)c1 -3.7
116-44-9 O=S(Nc1cnccn1)(c(cc2)ccc2N)=O -3.7
56030-54-7 O=C(CC)N(c2ccccc2)C1(COC)CCN(CCc3cccs3)CC1 -3.71
129-20-4 O=C(C1CCCC)N(c2ccc(O)cc2)N(c3ccccc3)C1=O -3.73
107-83-5 CC(C)CCC -3.74
105-05-5 CCc1ccc(CC)cc1 -3.75
86-30-6 O=NN(c2ccccc2)c1ccccc1 -3.75
14437-17-3 O=C(OC)C(Cl)Cc1ccc(Cl)cc1 -3.77
91-57-6 Cc1cc(cccc2)c2cc1 -3.77
17560-51-9 CC2Nc1cc(Cl)c(S(N)(=O)=O)cc1C(N2c3ccccc3C)=O -3.78
14293-44-8 Cc1cccc(C)c1NC(c2cc(S(N)(=O)=O)c(cc2O)Cl)=O -3.79
2011-67-8 O=C2CN=C(c3ccccc3)c1cc(N(=O)=O)ccc1N2C -3.8
452-35-7 CCOc2ccc1nc(S(N)(=O)=O)sc1c2 -3.81
50-33-9 O=C(C1CCCC)N(c2ccccc2)N(c3ccccc3)C1=O -3.81
111-25-1 BrCCCCCC -3.81
83-49-8 C12CC(O)CCC1(C)C3C(C(CCC4C(CCC(O)=O)C)C4(C)CC3)CC2O -3.82
#3772-43-8 c1cc(OCCCC)ccc1C(=O)OCCN(CC)CC -3.84
135-98-8 CC(CC)c1ccccc1 -3.89
90-13-1 Clc1c(cccc2)c2ccc1 -3.93
13476-55-6 CCCCCCOC(c1ccc(N)cc1)=O -3.95
97-23-4 Oc1c(cc(Cl)cc1)Cc(cc(Cl)cc2)c2O -3.95
208-96-8 c12cccc(C=C3)c1c3ccc2 -3.96
53-16-7 CC34CCC2c1c(CCC2C3CCC4=O)cc(O)cc1 -3.96
3248-05-3 Cc1c(ccc3c2nccc3C)c2ncc1 -3.97
2622-26-6 OC4CCN(CC4)CCCN2c1ccccc1Sc3c2cc(C#N)cc3 -3.98
15687-27-1 CC(Cc(cc1)ccc1C(C)C(O)=O)C -3.99
886-50-0 CC(C)(C)Nc1nc(SC)nc(NCC)n1 -4
5989-27-5 CC1=CCC(C(C)=C)CC1 -4
2539-17-5 Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC -4.02
27314-13-2 O=C1C(Cl)=C(NC)C=NN1c2cc(C(F)(F)F)ccc2 -4.04
1912-26-1 CCNc1nc(N(CC)CC)nc(Cl)n1 -4.06
2303-16-4 O=C(SCC(Cl)=CCl)N(C(C)C)C(C)C -4.08
28911-01-5 Clc1cc(C(c4ccccc4Cl)=NCc3nnc(C)n23)c2cc1 -4.08
110-38-3 CCCCCCCCCC(OCC)=O -4.1
426-13-1 C34C2CC(C)C1=CC(C=CC1(C)C2(F)C(O)CC3(C)C(C(C)=O)(O)CC4)=O -4.1
1982-49-6 O=C(Nc1ccccc1)NC(CCCC2)C2C -4.11
83-26-1 O=C(C(C1=O)C(c2ccccc12)=O)C(C)(C)C -4.11
538-93-2 CC(C)Cc1ccccc1 -4.12
53-43-0 CC(C3=CC2)(CCC(O)C3)C1C2C(CCC4=O)C4(C)CC1 -4.12
571-58-4 Cc1c(cccc2)c2c(C)cc1 -4.14
91-58-7 Clc2cc1ccccc1cc2 -4.14
2049-95-8 CC(C)(c1ccccc1)CC -4.15
69-23-8 OCCN(CC4)CCN4CCCN1c3c(ccc(C(F)(F)F)c3)Sc2c1cccc2 -4.15
14214-32-5 COc1ccc(Oc2ccc(cc2)NC(N(C)C)=O)cc1 -4.16
22204-53-1 COc1ccc2c(ccc(C(C)C(O)=O)c2)c1 -4.16
41483-43-6 CCCCc1c(OS(=O)(N(C)C)=O)nc(NCC)nc1C -4.16
58-39-9 Clc4cc1c(cc4)Sc3c(cccc3)N1CCCN2CCN(CCO)CC2 -4.16
481-29-8 CC(C3CC2)(CCC(O)C3)C1C2C(CCC4=O)C4(C)CC1 -4.16
1127-76-0 CCc1c(cccc2)c2ccc1 -4.17
101-81-5 c1(Cc2ccccc2)ccccc1 -4.17
2536-31-4 OC1(C(OC)=O)c3c(ccc(Cl)c3)c2c1cccc2 -4.18
50-49-7 CN(C)CCCN1c3c(cccc3)CCc2c1cccc2 -4.19
23184-66-9 O=C(CCl)N(c(c(CC)ccc1)c1CC)COCCCC -4.19
26644-46-2 ClC(Cl)(Cl)C(N1CCN(C(NC=O)C(Cl)(Cl)Cl)CC1)NC=O -4.19
741-58-2 CC(OP(OC(C)C)(SCCNS(=O)(c1ccccc1)=O)=S)C -4.2
664-95-9 O=S(NC(NC2CCCCC2)=O)(c(cc1)ccc1C)=O -4.21
15310-01-7 O=C(c(cccc2)c2I)Nc1ccccc1 -4.21
60-99-1 CC(CN(C)C)CN1c(cc3OC)c(cc3)Sc2c1cccc2 -4.22
578-06-3 Nc1c(cc2ccccc2n3)c3ccc1 -4.22
298-04-4 S=P(OCC)(OCC)SCCSCC -4.23
2655-19-8 O=C(Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1)NC -4.24
1194-65-6 N#Cc(c(Cl)ccc1)c1Cl -4.24
3452-09-3 C#CCCCCCCC -4.24
1678-91-7 CCC1CCCCC1 -4.25
108-08-7 CC(C)CC(C)C -4.26
2207-01-4 CC1C(C)CCCC1 -4.27
575-41-7 Cc1c(cccc2)c2cc(C)c1 -4.29
50-03-3 CC(OCC(C4(O)CCC3C2CCC1=CC(CCC1(C)C2C(O)CC34C)=O)=O)=O -4.3
484-12-8 O=C2Oc1c(C=C2)ccc(OC)c1CC=C(C)C -4.31
1002-84-2 O=C(O)CCCCCCCCCCCCCC -4.31
92-52-4 c1(c2ccccc2)ccccc1 -4.31
6876-23-9 CC(CCCC1)C1C -4.33
90-11-9 Brc2cccc1ccccc12 -4.35
547-75-1 CC(C3CCC4C2CC(C1CC(CCC1(C2CC(C34C)O)C)O)O)CCC(O)=O -4.35
56-53-1 Oc1ccc(C(CC)=C(CC)c2ccc(O)cc2)cc1 -4.35
530-78-9 O=C(O)c2c(cccc2)Nc1cc(C(F)(F)F)ccc1 -4.36
52-21-1 O=C1C=CC2(C)C(CCC3C2C(O)CC4(C)C3CCC4(O)C(COC(C)=O)=O)=C1 -4.37
101-27-9 O=C(OCC#CCCl)Nc1cccc(Cl)c1 -4.37
53-41-8 OC1CCC2(C)C(CCC3C2CCC4(C)C3CCC4=O)C1 -4.4
580-13-2 Brc1cc(cccc2)c2cc1 -4.4
58-38-8 Clc4cc1c(cc4)Sc3c(cccc3)N1CCCN2CCN(C)CC2 -4.4
84-74-2 O=C(OCCCC)c1ccccc1C(OCCCC)=O -4.4
57-83-0 O=C1CCC2(C)C(CCC3C2CCC4(C)C3CCC4C(C)=O)=C1 -4.43
139-40-2 CC(C)Nc1nc(NC(C)C)nc(Cl)n1 -4.43
59756-60-4 O=C1C(c3cc(C(F)(F)F)ccc3)=CN(C)C=C1c2ccccc2 -4.44
111-66-0 CCCCCCC=C -4.44
103-33-3 c1(N=Nc2ccccc2)ccccc1 -4.45
853-23-6 C3(CC4)C2CC=C1CC(OC(C)=O)CCC1(C)C2CCC3(C)C4=O -4.46
3380-34-5 Clc1cc(Cl)ccc1Oc2c(O)cc(Cl)cc2 -4.46
589-90-2 CC1CCC(C)CC1 -4.47
5104-49-4 Fc(cc(C(C(O)=O)C)cc2)c2c1ccccc1 -4.49
615-54-3 Brc(cc(Br)cc1)c1Br -4.5
319-86-8 ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl -4.51
142-82-5 CCCCCCC -4.53
2051-60-7 Clc(cccc2)c2c1ccccc1 -4.54
122-34-9 CCNc1nc(NCC)nc(Cl)n1 -4.55
634-66-2 Clc(c(Cl)ccc1Cl)c1Cl -4.57
68-22-4 O=C1CCC2C(CCC3C2CCC4(C)C3CCC4(C#C)O)=C1 -4.57
14309-40-1 CCCCCCCOC(c1ccc(N)cc1)=O -4.6
551-06-4 S=C=Nc1cccc2c1cccc2 -4.6
132-64-9 c13c(cccc3)oc2c1cccc2 -4.6
126-07-8 Clc1c(OC)cc(OC)c2c1OC(C(OC)=CC3=O)(C(C)C3)C2=O -4.61
53-86-1 Clc(cc3)ccc3C(n2c(C)c(CC(O)=O)c1cc(OC)ccc12)=O -4.62
143-07-7 CCCCCCCCCCCC(O)=O -4.62
110-42-9 CCCCCCCCCC(OC)=O -4.63
634-90-2 Clc(c(Cl)cc(Cl)c1)c1Cl -4.63
83-32-9 c12cccc(CC3)c1c3ccc2 -4.63
538-68-1 CCCCCc1ccccc1 -4.64
84-69-5 O=C(c(cccc1)c1C(OCC(C)C)=O)OCC(C)C -4.66
112-53-8 CCCCCCCCCCCCO -4.67
111-82-0 CCCCCCCCCCCC(OC)=O -4.69
84-06-0 CC(OCCN4CCN(CC4)CCCN2c1c(Sc3ccc(cc23)Cl)cccc1)=O -4.7
50-65-7 O=C(c(cc2Cl)c(cc2)O)Nc(ccc(N(=O)=O)c1)c1Cl -4.7
68-96-2 O=C1CCC2(C)C(CCC3C2CCC4(C)C3CCC4(O)C(C)=O)=C1 -4.71
2152-44-5 O=C1C=CC2(C)C(CCC3C2(F)C(O)CC4(C)C3CC(C)C4(OC(CCCC)=O)C(CO)=O)=C1 -4.71
2040-96-2 CCCC1CCCC1 -4.74
60-89-9 c1ccc2Sc3ccccc3N(CC4CN(C)CCC4)c2c1 -4.74
571-61-9 Cc1c(cccc2C)c2ccc1 -4.74
555-37-3 O=C(Nc1cc(Cl)c(Cl)cc1)N(C)CCCC -4.77
4282-40-0 CCCCCCCI -4.81
28299-41-4 Cc1cccc(c1)Oc2cccc(c2)C -4.85
97-77-8 S=C(SSC(N(CC)CC)=S)N(CC)CC -4.86
2051-61-8 Clc1cccc(c2ccccc2)c1 -4.88
1177-87-3 O=C1C=CC2(C)C(CCC3C2(F)C(O)CC4(C)C3CC(C)C4(OC(C)=O)C(CO)=O)=C1 -4.9
86-73-7 c1(cccc3)c3Cc2c1cccc2 -4.91
91-94-1 Clc1cc(c2cc(Cl)c(N)cc2)ccc1N -4.92
2131-41-1 Cc1ccc(c2c1cccc2C)C -4.92
18181-80-1 CC(OC(C(c1ccc(Br)cc1)(c2ccc(Br)cc2)O)=O)C -4.93
84-17-3 CC=C(c1ccc(O)cc1)C(c2ccc(O)cc2)=CC -4.95
13698-49-2 CC1(CC2)C(OC(C)=O)(C(C)=O)CCC1C(C=C3Cl)C2C(C=C4)(C)C3=CC4=O -4.95
86-74-8 c1(cccc3)c3[nH]c2c1cccc2 -4.97
1982-55-4 Clc1cc(Cl)c(Cl)c2nsnc12 -4.98
50-53-3 CN(C)CCCN1c(cc(Cl)cc3)c3Sc2c1cccc2 -5.01
27541-88-4 O=C(C(NC(C(Cl)Cl)=O)=C2Cl)c(cccc1)c1C2=O -5.03
608-21-9 Brc1c(Br)cccc1Br -5.04
124-11-8 C=CCCCCCCC -5.05
111-83-1 CCCCCCCCBr -5.06
36330-85-5 OC(CCC(c1ccc(c2ccccc2)cc1)=O)=O -5.06
10238-21-8 COc1ccc(cc1C(NCCc2ccc(S(=O)(NC(NC3CCCCC3)=O)=O)cc2)=O)Cl -5.09
78-48-8 O=P(SCCCC)(SCCCC)SCCCC -5.14
475-31-0 OC4CCC3(C)C2CC(O)C1(C)C(C(C)CCC(NCC(O)=O)=O)CCC1C2C(O)CC3C4 -5.15
613-13-8 Nc3cc2cc1ccccc1cc2cc3 -5.17
77-47-4 ClC1(C(Cl)=C(Cl)C(Cl)=C1Cl)Cl -5.18
40596-69-8 O=C(OC(C)C)C=C(C)C=CCC(C)CCCC(OC)(C)C -5.19
84-65-1 O=C(c2c1cccc2)c(cccc3)c3C1=O -5.19
33146-45-1 Clc(cccc2Cl)c2c1ccccc1 -5.21
6893-02-3 Oc1ccc(Oc2c(I)cc(CC(N)C(O)=O)cc2I)cc1I -5.22
1730-37-6 Cc1c(Cc3ccccc23)c2ccc1 -5.22
111-65-9 CCCCCCCC -5.24
33284-50-3 Clc(cc(Cl)cc2)c2c1ccccc1 -5.25
977-79-7 CC(C3(CCC4C2C=C(C1=CC(CCC1(C2CCC34C)C)=O)C)C)=O -5.27
13029-08-8 Clc(cccc2)c2c1ccccc1Cl -5.27
474-86-2 Oc1cc(CC=C3C2CCC4(C)C3CCC4=O)c2cc1 -5.28
34883-43-7 Clc(cccc2)c2c1ccc(Cl)cc1 -5.28
146-54-3 CN(CCCN2c1ccccc1Sc3c2cc(C(F)(F)F)cc3)C -5.3
262-12-4 c1(cccc3)c3Oc(cccc2)c2O1 -5.31
544-63-8 O=C(O)CCCCCCCCCCCCC -5.33
595-33-5 CC(OC(C12C)(CCC1C(C=C(C)C3=CC4=O)C(C3(CC4)C)CC2)C(C)=O)=O -5.35
57-85-2 O=C1CCC2(C)C(CCC3C2CCC4(C)C3CCC4OC(CC)=O)=C1 -5.37
14309-41-2 O=C(c(cc1)ccc1N)OCCCCCCCC -5.4
119-91-5 c1(c2nc(cccc4)c4cc2)nc(cccc3)c3cc1 -5.4
2939-80-2 O=C1N(SC(Cl)(Cl)C(Cl)Cl)C(C2CC=CCC12)=O -5.4
2363-58-8 CC45CCC2C(C4CCC5O)CCC3CC1SC1CC23C -5.41
3495-42-9 Clc1c2c(nccn2)c(Cl)c(Cl)c1Cl -5.43
1836-75-5 Clc1c(Oc2ccc(N(=O)=O)cc2)ccc(Cl)c1 -5.46
29091-05-2 Nc1c(C(F)(F)F)cc(N(=O)=O)c(N(CC)CC)c1N(=O)=O -5.47
33089-61-1 CN(C=Nc(ccc(C)c2)c2C)C=Nc(ccc(C)c1)c1C -5.47
508-96-3 CC(C(C(COC(CC(C)(C)C)=O)=O)(O)CC1)(CC2O)C1C(CC3)C2C(CC4)(C)C3=CC4=O -5.51
1861-40-1 FC(F)(F)c1cc(N(=O)=O)c(N(CC)CCCC)c(N(=O)=O)c1 -5.53
563-12-2 S=P(OCC)(OCC)SCSP(OCC)(OCC)=S -5.54
20168-99-4 COc1cc3c(n(c(C)c3CC(O)=O)C(C=Cc2ccccc2)=O)cc1 -5.54
85-68-7 O=C(OCc2ccccc2)c1ccccc1C(OCCCC)=O -5.64
3734-48-3 ClC13C(Cl)=C(Cl)C(C3(Cl)Cl)(Cl)C2C1C=CC2 -5.64
608-93-5 Clc(c(Cl)cc(Cl)c1Cl)c1Cl -5.65
434-03-7 O=C1CCC2(C)C(CCC3C2CCC4(C)C3CCC4(C#C)O)=C1 -5.66
57-11-4 CCCCCCCCCCCCCCCCCC(O)=O -5.68
19666-30-9 CC(Oc1cc(N2N=C(C(C)(C)C)OC2=O)c(cc1Cl)Cl)C -5.69
36378-49-1 CC12C(CC3)C(CCC1CCCC2)C(CC4)C3(C)C4=O -6.7
299-84-3 S=P(OC)(OC)Oc(cc(Cl)c(Cl)c1)c1Cl -5.72
82-68-8 O=N(c(c(Cl)c(Cl)c(Cl)c1Cl)c1Cl)=O -5.82
206-44-0 c24c(cccc4)c1cccc3c1c2ccc3 -6
38444-81-4 Clc1cc(c2cc(Cl)ccc2Cl)ccc1 -6.01
35367-38-5 O=C(NC(Nc2ccc(Cl)cc2)=O)c1c(F)cccc1F -6.02
112-72-1 CCCCCCCCCCCCCCO -6.05
35693-92-6 Clc1cc(Cl)c(c2ccccc2)c(Cl)c1 -6.14
129-00-0 c1(ccc3ccc4)cccc2ccc4c3c12 -6.19
2642-98-0 Nc(c4c3cccc4)cc1c3ccc2c1cccc2 -6.2
16606-02-3 Clc(ccc(Cl)c2)c2c1ccc(Cl)cc1 -6.25
38444-85-8 Clc1ccc(c2cccc(Cl)c2Cl)cc1 -6.26
15862-07-4 Clc(cc(Cl)c(Cl)c2)c2c1ccccc1 -6.27
60-57-1 ClC12C3C(C4C(O5)C5C3C4)C(C2(Cl)Cl)(Cl)C(Cl)=C1Cl -6.29
38444-86-9 Clc(cccc2)c2c1ccc(Cl)c(Cl)c1 -6.29
10311-84-9 S=P(OCC)(OCC)SC(CCl)N1C(c(cccc2)c2C1=O)=O -6.34
120-12-7 c12ccccc1cc3c(cccc3)c2 -6.35
3424-82-6 ClC(Cl)=C(c1ccc(Cl)cc1)c(cccc2)c2Cl -6.36
2974-92-7 Clc1cc(c2ccccc2)ccc1Cl -6.39
41464-39-5 Clc1ccc(Cl)c(c2cccc(Cl)c2Cl)c1 -6.47
53-19-0 ClC(Cl)C(c1ccc(Cl)cc1)c(cccc2)c2Cl -6.51
2050-68-2 Clc1ccc(c2ccc(Cl)cc2)cc1 -6.56
41464-40-8 Clc1ccc(Cl)cc1c2c(Cl)cc(Cl)cc2 -6.57
781-43-1 Cc(c2c1cccc2)c(cccc3)c3c1C -6.57
18181-70-9 S=P(OC)(OC)Oc1c(Cl)cc(I)c(Cl)c1 -6.62
238-84-6 c2(c(cccc4)c4cc3)c3c1ccccc1C2 -6.68
217-59-4 c1(cccc3)c3c(cccc4)c4c2c1cccc2 -6.74
41464-41-9 Clc(cc2)c(cc2Cl)c1c(Cl)cccc1Cl -6.8
52251-71-5 CCc3cc2cc1ccccc1cc2cc3 -6.89
72-55-9 ClC(Cl)=C(c2ccc(Cl)cc2)c1ccc(Cl)cc1 -6.9
613-12-7 Cc1cc(cc(cccc3)c3c2)c2cc1 -6.96
57-97-6 Cc1c(c(cccc4)c4cc3)c3c(C)c2c1cccc2 -7.02
92-94-4 c1(c2ccc(c3ccccc3)cc2)ccccc1 -7.11
72-54-8 ClC(Cl)C(c2ccc(Cl)cc2)c1ccc(Cl)cc1 -7.2
55312-69-1 Clc(c(Cl)c2Cl)c(cc2Cl)c1c(Cl)cccc1 -7.21
32598-11-1 Clc(ccc(Cl)c2)c2c1ccc(Cl)c(Cl)c1 -7.25
38444-93-8 Clc1c(Cl)cccc1c2c(Cl)c(Cl)ccc2 -7.28
512-04-9 CC5C6(OCC(C)CC6)OC4CC3C2CC=C1CC(O)CCC1(C)C2CCC3(C)C45 -7.32
56558-16-8 Clc2c(c(Cl)cc(Cl)c2)c1c(Cl)cccc1Cl -7.32
31508-00-6 Clc(cc(Cl)c(Cl)c2)c2c1ccc(Cl)c(Cl)c1 -7.39
15968-05-5 Clc(cccc2Cl)c2c1c(Cl)cccc1Cl -7.39
239-64-5 c2(cc4)c([nH]c3c(cccc5)c5ccc23)c1c4cccc1 -7.42
52663-63-5 Clc1c(c2cc(Cl)ccc2Cl)c(Cl)c(Cl)cc1Cl -7.42
55215-17-3 Clc2c(c(Cl)cc(Cl)c2Cl)c1c(Cl)cccc1 -7.43
74472-42-7 Clc1c(c2ccc(Cl)c(Cl)c2)c(Cl)c(Cl)c(Cl)c1 -7.66
52712-04-6 Clc1ccc(Cl)c(c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 -7.68
32598-10-0 Clc1ccc(c2ccc(c(Cl)c2)Cl)c(Cl)c1 -7.8
38380-08-4 Clc(c(Cl)c2Cl)c(cc2Cl)c1ccc(Cl)c(Cl)c1 -7.82
18259-05-7 Clc(c(Cl)c(Cl)c(Cl)c2Cl)c2c1ccccc1 -7.92
52663-69-1 Clc1c(c2cc(Cl)c(Cl)cc2Cl)c(Cl)c(Cl)c(Cl)c1 -7.92
56-49-5 Cc(ccc2cc4c3ccc5c4cccc5)c1c2c3CC1 -7.92
205-82-3 c3(ccc5c4cccc5)c4c1c2c(cccc23)ccc1 -8
38380-07-3 Clc1ccc(c2ccc(c(Cl)c2Cl)Cl)c(Cl)c1Cl -8.01
50-32-8 c23c1c4cccc1ccc2cc5c(cccc5)c3cc4 -8.19
205-99-2 c23c4c1ccccc1c2cccc3c(cccc5)c5c4 -8.23
31251-03-3 FC(F)(F)c1cccc(C(c3ccccc3)(n4cncn4)c2ccccc2)c1 -8.4
35065-27-1 Clc(cc(Cl)c(Cl)c2)c2c1cc(Cl)c(Cl)cc1Cl -8.56
52704-70-8 Clc(c(Cl)c2)c(c(Cl)c2Cl)c1c(Cl)c(Cl)ccc1 -8.6
33979-03-2 Clc1cc(Cl)c(c2c(cc(cc2Cl)Cl)Cl)c(Cl)c1 -8.71
198-55-0 c14cccc2cccc(c3c5c(cccc45)ccc3)c12 -8.8
52712-05-7 Clc1c(c2cc(Cl)ccc2Cl)c(Cl)c(Cl)c(Cl)c1Cl -8.94
2136-99-4 Clc(c(Cl)cc(Cl)c2Cl)c2c1c(Cl)c(Cl)cc(Cl)c1Cl -9.15
35694-08-7 Clc1c(Cl)c(Cl)c(Cl)c(c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 -9.16
2051-24-3 Clc1c(c(Cl)c(c2c(c(Cl)c(c(Cl)c2Cl)Cl)Cl)c(Cl)c1Cl)Cl -11.62
598-50-5 CNC(N)=O 1.13
96-48-0 O=C1CCCO1 1.07
616-45-5 O=C1CCCN1 1.07
110-91-8 C1COCCN1 1.06
453-20-3 OC1COCC1 1.05
872-50-4 CN1C(CCC1)=O 1
100-55-0 OCc1cccnc1 0.96
57-13-6 O=C(N)N 0.96
79-06-1 C=CC(N)=O 0.96
632-22-4 O=C(N(C)C)N(C)C 0.94
75-50-3 CN(C)C 0.84
54-11-5 CN1C(c2cccnc2)CCC1 0.79
50-99-7 OC1OC(CO)C(O)C(O)C1O 0.74
149-32-6 OCC(O)C(CO)O 0.7
79-20-9 CC(OC)=O 0.52
77-92-9 OC(C(O)=O)(CC(O)=O)CC(O)=O 0.51
78-40-0 O=P(OCC)(OCC)OCC 0.43
78-92-2 CC(O)CC 0.43
144-62-7 O=C(O)C(O)=O 0.38
591-22-0 Cc1cc(C)cnc1 0.38
583-58-4 Cc(ccnc1)c1C 0.36
62-56-6 NC(N)=S 0.32
374-01-6 FC(F)(F)C(O)C 0.3
936-40-3 Cc1nc(ncnc2)c2nc1 0.06
79-41-4 CC(C(O)=O)=C 0.01
71-36-3 CCCCO 0
79-07-2 NC(CCl)=O -0.02
141-78-6 CC(OCC)=O -0.04
598-53-8 COC(C)C -0.06
96-23-1 OC(CCl)CCl -0.11
554-12-1 O=C(OC)CC -0.14
123-31-9 Oc1ccc(O)cc1 -0.17
52-68-6 OC(C(Cl)(Cl)Cl)P(OC)(OC)=O -0.22
1634-04-4 CC(C)(C)OC -0.24
621-84-1 NC(OCc1ccccc1)=O -0.35
96-50-4 Nc1nccs1 -0.36
461-72-3 O=C1NC(CN1)=O -0.4
120-89-8 O=C(NC1=O)C(N1)=O -0.4
75-84-3 CC(C)(C)CO -0.4
150-13-0 OC(c1ccc(N)cc1)=O -0.4
62-53-3 Nc1ccccc1 -0.41
594-60-5 CC(C)(O)C(C)C -0.41
111-76-2 CCCCOCCO -0.42
105-57-7 CC(OCC)OCC -0.43
141-76-4 OC(CCI)=O -0.43
142-84-7 CCCNCCC -0.46
137-32-6 CC(CO)CC -0.47
88-14-2 O=C(c1ccco1)O -0.48
590-36-3 CC(C)(O)CCC -0.49
123-51-3 CC(C)CCO -0.52
108-21-4 CC(OC(C)C)=O -0.55
625-54-7 CCOC(C)C -0.55
75-08-1 CCS -0.6
71-41-0 CCCCCO -0.6
79-46-9 CC(C)N(=O)=O -0.62
83-07-8 CN2N(c1ccccc1)C(C(N)=C2C)=O -0.62
95-48-7 Oc1ccccc1C -0.62
96-45-7 S=C1NCCN1 -0.71
60-12-8 OCCc1ccccc1 -0.74
108-03-2 O=N(=O)CCC -0.8
108-11-2 CC(C)CC(O)C -0.8
591-78-6 CC(CCCC)=O -0.8
88-09-5 O=C(O)C(CC)CC -0.81
124-04-9 OC(CCCCC(O)=O)=O -0.82
106-57-0 O=C1CNC(CN1)=O -0.83
122-15-6 CN(C(OC1=CC(CC(C)(C1)C)=O)=O)C -0.85
95-53-4 Cc1c(N)cccc1 -0.85
595-41-5 CC(C)C(O)(C)CC -0.85
4911-70-0 CC(O)(C)C(C)CC -0.89
626-93-7 CC(O)CCCC -0.89
98-96-4 NC(c1cnccn1)=O -0.91
552-63-6 OC(C(CO)c1ccccc1)=O -0.93
583-60-8 CC(CCCC1)C1=O -0.94
538-32-9 NC(NCc1ccccc1)=O -0.95
579-10-2 CN(c1ccccc1)C(C)=O -0.95
759-73-9 NC(N(N=O)CC)=O -0.96
100-47-0 N#Cc1ccccc1 -1
554-84-7 Oc1cccc(N(=O)=O)c1 -1.01
1185-33-7 CCC(C)(C)CO -1.04
107-06-2 ClCCCl -1.06
78-59-1 CC(CC(C)=CC1=O)(C1)C -1.06
95-57-8 Oc1ccccc1Cl -1.06
142-62-1 CCCCCC(O)=O -1.06
111-26-2 CCCCCCN -1.1
105-30-6 CC(CO)CCC -1.11
111-44-4 ClCCOCCCl -1.12
3970-62-5 OC(CC)C(C)(C)C -1.15
149-91-7 O=C(c1cc(O)c(O)c(O)c1)O -1.16
74-95-3 C(Br)(Br) -1.17
607-67-0 Cc1cc(O)c(cccc2)c2n1 -1.2
106-49-0 Nc1ccc(C)cc1 -1.21
58-63-9 Oc1ncnc2c1ncn2C3C(O)C(O)C(CO)O3 -1.23
99-24-1 O=C(c(cc1O)cc(O)c1O)OC -1.24
443-48-1 OCCn1c(N(=O)=O)cnc1C -1.26
626-48-2 O=C(NC(C)=C1)NC1=O -1.26
461-98-3 Cc1cc(N)nc(C)n1 -1.28
100-61-8 CNc1ccccc1 -1.28
123-19-3 CCCC(CCC)=O -1.3
156-59-2 ClC=CCl -1.3
576-26-1 Cc1c(O)c(C)ccc1 -1.31
590-12-5 BrC=CBr -1.32
627-08-7 CCCOC(C)C -1.34
51481-61-9 CNC(NCCSCc1c(C)[nH]cn1)=NC#N -1.35
107-05-1 C=CCCl -1.36
63-74-1 Nc1ccc(cc1)S(N)(=O)=O -1.36
85-44-9 O=C(O2)c1ccccc1C2=O -1.39
95-65-8 Cc(cc(O)cc1)c1C -1.41
75-29-6 CC(Cl)C -1.41
99-96-7 Oc1ccc(C(O)=O)cc1 -1.41
124-83-4 CC1(C)C(C(O)=O)CCC1(C)C(O)=O -1.42
751-97-3 CN(C2C1CC5C(C(c4c(C5(O)C)cccc4O)=O)=C(C1(C(C(C(NCN3CCCC3)=O)=C2O)=O)O)O)C -1.42
108-10-1 CC(CC(C)C)=O -1.42
98-89-5 O=C(C1CCCCC1)O -1.45
105-55-5 S=C(NCC)NCC -1.46
638-42-6 NC(OCCCCC)=O -1.47
98-16-8 FC(F)(c1cc(N)ccc1)F -1.47
589-82-2 CCC(O)CCCC -1.47
66-22-8 O=C(NC=C1)NC1=O -1.48
106-95-6 C=CCBr -1.5
95-16-9 c12ccccc1scn2 -1.5
458-88-8 CCCC1NCCCC1 -1.5
95-51-2 Clc(cccc1)c1N -1.52
65-71-4 O=C1C(C)=CNC(N1)=O -1.52
75-27-4 BrC(Cl)Cl -1.54
98-10-2 NS(=O)(c1ccccc1)=O -1.56
75-26-3 CC(Br)C -1.59
97-59-6 NC(NC(C(N1)=O)NC1=O)=O -1.6
75-03-6 CCI -1.6
5582-82-1 CCC(C)(O)CCCC -1.6
59-92-7 OC(C(N)Cc1ccc(O)c(O)c1)=O -1.6
99-92-3 CC(c1ccc(N)cc1)=O -1.61
7307-04-2 CC(CC(C(C)(C)C)=O)=O -1.63
627-19-0 C#CCCC -1.64
3337-71-1 O=C(OC)NS(c1ccc(N)cc1)(=O)=O -1.66
131-11-3 O=C(OC)c1ccccc1C(OC)=O -1.66
495-69-2 O=C(c1ccccc1)NCC(O)=O -1.68
104-75-6 NCC(CC)CCCC -1.71
16118-49-3 O=C(NCC)C(OC(Nc1ccccc1)=O)C -1.83
15879-93-3 C12OC(C(Cl)(Cl)Cl)OC1(C(C(O2)C(O)(CO))O) -1.84
111-68-2 CCCCCCCN -1.85
93-58-3 O=C(OC)c1ccccc1 -1.85
4695-62-9 CC(CC2C1(C)C)(CC2)C1=O -1.85
109-70-6 ClCCCBr -1.85
106-99-0 C=CC=C -1.87
91-64-5 O=C2C=Cc1ccccc1O2 -1.89
118-91-2 O=C(c(cccc1)c1Cl)O -1.89
552-32-9 O=N(c(cccc1)c1NC(C)=O)=O -1.91
96-18-4 ClC(CCl)CCl -1.92
134-32-7 Nc2cccc1ccccc12 -1.92
1198-37-4 Cc2nc1ccccc1c(C)c2 -1.94
69-33-0 Nc1ncnc2c1ccn2C3OC(CO)C(C3O)O -1.95
615-15-6 Cc2nc1ccccc1[nH]2 -1.96
90-05-1 COc(cccc1)c1O -1.96
79-01-6 C(Cl)=C(Cl)Cl -1.96
540-36-3 Fc1ccc(F)cc1 -1.97
78-70-6 CC(C)=CCCC(C)(O)C=C -1.99
57-67-0 O=S(NC(N)=N)(c(cc1)ccc1N)=O -1.99
76-22-2 O=C(CC(CC2)C1(C)C)C12C -1.99
106-70-7 CCCCCC(OC)=O -2
513-36-0 CC(CCl)C -2
372-18-9 Fc1cc(F)ccc1 -2
78-79-5 C=C(C=C)C -2.03
121-34-6 Oc1c(OC)cc(C(O)=O)cc1 -2.05
5392-40-5 CC(C)=CCCC(C)=CC=O -2.06
52-43-7 O=C(N1)NC(C(CC=C)(CC=C)C1=O)=O -2.06
41814-78-2 Cc1cccc3c1n2cnnc2S3 -2.07
109-64-8 BrCCCBr -2.08
15271-41-7 CNC(ON=C1C2C(C#N)CC(C2)C1Cl)=O -2.08
29973-13-5 CCSCc1ccccc1OC(NC)=O -2.09
53808-87-0 Nc1ncc(Cc2cc(OC)c(OCCOC)c(OC)c2)c(N)n1 -2.1
142-29-0 C1=CCCC1 -2.1
56-75-7 OC(C(CO)NC(C(Cl)Cl)=O)c1ccc(N(=O)=O)cc1 -2.11
51-52-5 S=C(NC(CCC)=C1)NC1=O -2.15
78-75-1 CC(Br)CBr -2.15
271-44-3 c1(cccc2)c2[nH]nc1 -2.16
619-02-3 O=C1CC(C(C)=C)CCC1C -2.18
109-79-5 CCCCS -2.18
95-95-4 Clc(cc(Cl)c(O)c1)c1Cl -2.21
76-24-4 OC1(C2(C(NC(NC2=O)=O)=O)O)C(NC(NC1=O)=O)=O -1.99
50-36-2 CN1C2CCC1C(C(OC)=O)C(OC(c3ccccc3)=O)C2 -2.23
614-28-8 O=C(c1ccccc1)NC(c2ccccc2)=O -2.27
57-68-1 Cc1cc(C)nc(NS(=O)(c2ccc(N)cc2)=O)n1 -2.27
102-69-2 CCCN(CCC)CCC -2.28
482-05-3 O=C(c1c(c(cccc2)c2C(O)=O)cccc1)O -2.28
122-88-3 O=C(O)COc1ccc(Cl)cc1 -2.29
68-94-0 c12c(nc[nH]2)N=CNC1=O -2.29
108-85-0 BrC1CCCCC1 -2.3
101-77-9 Nc2ccc(cc2)Cc1ccc(N)cc1 -2.3
123-66-0 CCCCCC(OCC)=O -2.31
88-72-2 O=N(c(cccc1)c1C)=O -2.33
103-73-1 CCOc1ccccc1 -2.33
22259-30-9 CNC(Oc1cc(N=CN(C)C)ccc1)=O -2.34
2032-59-9 CNC(Oc1ccc(c(C)c1)N(C)C)=O -2.36
59-66-5 CC(Nc1nnc(S(N)(=O)=O)s1)=O -2.36
100-01-6 Nc1ccc(N(=O)=O)cc1 -2.37
327-54-8 Fc1c(F)cc(F)c(F)c1 -2.38
616-44-4 Cc1cscc1 -2.39
111-87-5 CCCCCCCCO -2.39
82-02-0 COc2c1occc1c(c3c2OC(C)=CC3=O)OC -2.4
98-54-4 CC(C)(c1ccc(O)cc1)C -2.41
148-24-3 Oc1c(nccc2)c2ccc1 -2.42
142-92-7 CC(OCCCCCC)=O -2.46
14073-97-3 CC1CCC(C(C)C)C(C1)=O -2.49
99-99-0 Cc1ccc(N(=O)=O)cc1 -2.49
594-36-5 CC(C)(Cl)CC -2.51
614-29-9 OC(c2ccccc2)Cc1ccccc1 -2.52
89-78-1 CC(C(CCC(C)C1)C1O)C -2.53
127-18-4 ClC(Cl)=C(Cl)Cl -2.54
108-86-1 Brc1ccccc1 -2.55
91-01-0 OC(c2ccccc2)c1ccccc1 -2.55
1746-81-2 O=C(N(OC)C)Nc1ccc(Cl)cc1 -2.57
2235-90-7 NC(CC)Cc2c[nH]c1ccccc12 -2.57
60-18-4 NC(Cc1ccc(O)cc1)C(O)=O -2.57
136-77-6 Oc1c(ccc(O)c1)CCCCCC -2.59
502-56-7 CCCCC(CCCC)=O -2.59
118-52-5 CC(C(N(Cl)C1=O)=O)(N1Cl)C -2.6
99-94-5 Cc1ccc(C(O)=O)cc1 -2.6
85-41-6 O=C2NC(c1ccccc12)=O -2.61
485-65-4 OC(C(CC3CC4)N4CC3CC)c1ccnc2c1cccc2 -2.63
616-20-6 ClC(CC)CC -2.63
3625-25-0 O=C(N1)NC(C(CC)(C3=CC2CCC(C3)C2)C1=O)=O -2.64
125-33-7 O=C(NCN1)C(c2ccccc2)(CC)C1=O -2.64
2315-68-6 O=C(c1ccccc1)OCCC -2.67
133-67-5 ClC(Cl)C(N2)Nc1cc(Cl)c(S(N)(=O)=O)cc1S2(=O)=O -2.68
77-65-6 BrC(CC)(CC)C(NC(N)=O)=O -2.68
475-25-2 OC(C1)(COc3c2ccc(O)c3O)C2=C(C=C4O)C1=CC4=O -2.7
144-83-2 O=S(Nc1ccccn1)(c2ccc(N)cc2)=O -2.7
81451-15-2 S=C1C=Nc(cncn2)c2N1 -2.71
111-86-4 CCCCCCCCN -2.75
100-41-4 CCc1ccccc1 -2.77
106-42-3 Cc1ccc(C)cc1 -2.77
72-48-0 O=C2c3c(ccc(O)c3O)C(c1ccccc12)=O -2.78
591-50-4 Ic1ccccc1 -2.78
62-23-7 OC(c1ccc(N(=O)=O)cc1)=O -2.8
599-88-2 Cc1cnc(NS(=O)(c2ccc(cc2)N)=O)nc1 -2.82
80-05-7 CC(c2ccc(O)cc2)(C)c1ccc(O)cc1 -2.82
100-42-5 C=Cc1ccccc1 -2.82
579-44-2 OC(c2ccccc2)C(c1ccccc1)=O -2.85
6164-98-3 Clc(cc1C)ccc1N=CN(C)C -2.86
119-68-6 CNc(cccc1)c1C(O)=O -2.88
122-66-7 c1(NNc2ccccc2)ccccc1 -2.92
93-76-5 O=C(O)COc(cc(Cl)c(Cl)c1)c1Cl -2.96
50-23-7 O=C1CCC2(C)C(CCC3C2C(O)CC4(C)C3CCC4(O)C(CO)=O)=C1 -2.97
51940-44-4 CCN1C=C(C(c2c1nc(N3CCNCC3)nc2)=O)C(O)=O -2.98
83-43-2 O=C1C=CC2(C)C(C(C)CC3C2C(O)CC4(C)C3CCC4(O)C(CO)=O)=C1 -2.99
94-20-2 O=S(NC(NCCC)=O)(c1ccc(Cl)cc1)=O -3.03
58-27-5 O=C(C(C)=C1)c(cccc2)c2C1=O -3.03
76-13-1 ClC(F)(F)C(Cl)(Cl)F -3.04
541-73-1 Clc1cc(Cl)ccc1 -3.04
496-11-7 c1(cccc2)c2CCC1 -3.04
103-88-8 CC(Nc1ccc(Br)cc1)=O -3.08
106-43-4 Cc1ccc(Cl)cc1 -3.08
85-34-7 O=C(O)Cc(c(Cl)ccc1Cl)c1Cl -3.08
110-82-7 C1CCCCC1 -3.1
119-61-9 O=C(c2ccccc2)c1ccccc1 -3.12
3042-84-0 O=C1N(c2ccccc2)N=CC(N)=C1Br -3.12
87-20-7 O=C(c(cccc1)c1O)OCCC(C)C -3.16
124-19-6 CCCCCCCCC=O -3.17
106-38-7 Brc1ccc(C)cc1 -3.19
694-80-4 Brc(cccc1)c1Cl -3.19
7681-93-8 CC(CC=CC=CC=CC=CC(OC4OC(C)C(O)C(N)C4O)CC(C(C(O)=O)C(O)C3)OC3(O)CC(O)CC(O2)C2C=C1)OC1=O -3.21
50-24-8 O=C1C=CC2(C)C(CCC3C2C(O)CC4(C)C3CCC4(O)C(CO)=O)=C1 -3.21
61-57-4 O=C(NCC2)N2c1ncc(N(=O)=O)s1 -3.22
691-37-2 CC(C)CC=C -3.24
106-46-7 Clc1ccc(Cl)cc1 -3.27
853-34-9 CC(CCC1C(N(c3ccccc3)N(c2ccccc2)C1=O)=O)=O -3.27
57-27-2 Oc1c(c2c(cc1)CC3(C45))OC(C24CCN3C)(C(C=C5)O) -3.28
73-49-4 CCC2NC(c1cc(S(N)(=O)=O)c(cc1N2)Cl)=O -3.29
2029-64-3 CCCCCCCCOC(N)=O -3.3
1114-71-2 O=C(SCCC)N(CCCC)CC -3.35
88-85-7 CC(c(cc(N(=O)=O)cc1N(=O)=O)c1O)CC -3.38
101-21-3 O=C(OC(C)C)Nc1cccc(Cl)c1 -3.38
106-32-1 O=C(OCC)CCCCCCC -3.39
1134-23-2 O=C(SCC)N(C1CCCCC1)CC -3.4
94-62-2 O=C(N3CCCCC3)C=CC=Cc1cc(OCO2)c2cc1 -3.46
87-58-1 Ic1c([nH]c(I)c1I)I -3.46
108-36-1 Brc1cc(Br)ccc1 -3.54
34123-59-6 CC(C)c1ccc(NC(N(C)C)=O)cc1 -3.54
112-37-8 O=C(O)CCCCCCCCCC -3.55
514-17-0 OC(CC1CCC2C3CC4)CCC1(C)C2C(O)CC3(C)C4=O -3.59
552-58-9 Oc(c(O)c3)ccc3C2CC(c1c(O)cc(O)cc1O2)=O -3.62
298-81-7 COc1c(OC3=O)c(C=C3)cc2c1occ2 -3.66
548-00-5 c1ccc2OC(=O)C(C(C(=O)OCC)C3=C(O)c4ccccc4OC3=O)=C(O)c2c1 -3.66
54-31-9 O=C(c(cc(S(N)(=O)=O)c(Cl)c2)c2NCc1ccco1)O -3.66
98-06-6 CC(C)(c1ccccc1)C -3.66
260-94-6 c12ccccc1nc3c(cccc3)c2 -3.67
96-14-0 CC(CC)CC -3.68
2008-41-5 O=C(SCC)N(CC(C)C)CC(C)C -3.68
298-00-0 S=P(OC)(OC)Oc1ccc(N(=O)=O)cc1 -3.68
92-36-4 Nc1ccc(c3nc2ccc(C)cc2s3)cc1 -3.68
85-79-0 CCCCOc2cc(C(NCCN(CC)CC)=O)c1ccccc1n2 -3.7
90-12-0 Cc1c(cccc2)c2ccc1 -3.7
535-65-9 O=S(Nc1nnc(C(C)(C)C)s1)(c2ccc(cc2)N)=O -3.74
64-85-7 O=C1CCC2(C)C(CCC3C2CCC4(C)C3CCC4C(CO)=O)=C1 -3.75
1929-82-4 Clc1nc(C(Cl)(Cl)Cl)ccc1 -3.76
99-87-6 CC(c1ccc(C)cc1)C -3.77
378-44-9 O=C1C=CC2(C)C(CCC3C2(F)C(O)CC4(C)C3CC(C)C4(O)C(CO)=O)=C1 -3.77
61-68-7 Cc1c(C)c(Nc2c(C(O)=O)cccc2)ccc1 -3.78
146-22-5 O=C2CN=C(c3ccccc3)c1cc(N(=O)=O)ccc1N2 -3.8
123-29-5 O=C(OCC)CCCCCCCC -3.8
514-10-3 CC(C(CCC(C(C)C)=C3)C3=CC1)(CCC2)C1C2(C)C(O)=O -3.8
37924-13-3 Cc1cc(S(=O)(c2ccccc2)=O)ccc1NS(=O)(C(F)(F)F)=O -3.8
14686-13-6 CCCCC=CC -3.82
110-54-3 CCCCCC -3.84
52-39-1 C1C(=O)C=C2CCC3C4CCC(C(=O)CO)C4(C5O)CC(O5)C3C2(C)C1 -3.85
108-87-2 CC1CCCCC1 -3.85
31431-39-7 COC(=O)Nc2nc1ccc(cc1[nH]2)C(=O)c3ccccc3 -3.88
81-81-2 CC(CC(c1ccccc1)C(C2=O)=C(c(cccc3)c3O2)O)=O -3.89
137-26-8 S=C(SSC(N(C)C)=S)N(C)C -3.9
3766-60-7 CC(N(C(Nc1ccc(Cl)cc1)=O)C)C#C -3.9
13993-65-2 CN2c1ccccc1Sc3c2cc(CC(O)=O)cc3 -3.94
83-44-3 OC1CCC2(C)C(CCC3C2CC(O)C4(C)C3CCC4C(C)CCC(O)=O)C1 -3.95
101-84-8 c1(Oc2ccccc2)ccccc1 -3.96
629-06-1 CCCCCCCCl -3.99
58-18-4 O=C1CCC2(C)C(CCC3C2CCC4(C)C3CCC4(C)O)=C1 -3.99
700-12-9 Cc(c(C)cc(C)c1C)c1C -4
50-04-4 O=C1CCC4(C)C(CCC3C(CCC2(O)C(COC(C)=O)=O)C2(C)CC(C34)=O)=C1 -4
87-61-6 Clc(c(Cl)ccc1)c1Cl -4
122-14-5 S=P(OC)(OC)Oc1cc(C)c(N(=O)=O)cc1 -4.04
104-51-8 CCCCc1ccccc1 -4.06
106-37-6 Brc1ccc(Br)cc1 -4.07
7287-19-6 CC(C)Nc1nc(NC(C)C)nc(SC)n1 -4.1
298-02-2 S=P(OCC)(OCC)SCSCC -4.11
118-08-1 COc2ccc1C(C3N(CCc5c3cc4OCOc4c5)C)OC(c1c2OC)=O -4.11
67-78-7 O=C1C=CC2(C)C(CCC3C2(F)C(O)CC4(C)C3CC(OC(C)=O)C4(O)C(COC(C)=O)=O)=C1 -4.13
292-64-8 C1CCCCCCC1 -4.15
36322-90-4 CN2S(c1ccccc1C(O)=C2C(Nc3ncccc3)=O)(=O)=O -4.16
4394-00-7 OC(c1cccnc1Nc2cccc(C(F)(F)F)c2)=O -4.17
55880-77-8 ClC(=C(C=C(Cl)Cl)Cl)Cl -4.23
60-87-7 CC(N(C)C)CN1c3c(cccc3)Sc2c1cccc2 -4.26
52-01-7 O=C1CCC2(C)C(CC(SC(C)=O)C3C2CCC4(C)C3CCC45OC(CC5)=O)=C1 -4.28
87-86-5 Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl -4.28
128-13-2 CC(CCC(O)=O)C3CCC4C2C(O)CC1CC(O)CCC1(C)C2CCC34C -4.29
939-27-5 CCc1cc(cccc2)c2cc1 -4.29
57-63-6 Oc1cc(CCC3C2CCC4(C)C3CCC4(C#C)O)c2cc1 -4.3
58-40-2 CN(C)CCCN1c3c(cccc3)Sc2c1cccc2 -4.3
2463-84-5 COP(OC)(Oc1c(Cl)cc(N(=O)=O)cc1)=S -4.31
76-25-5 O=C1C=CC2(C)C(CCC3C2(F)C(O)CC4(C)C3CC5C4(OC(C)(C)O5)C(CO)=O)=C1 -4.32
132-65-0 c1(cccc3)c3sc2c1cccc2 -4.38
60168-88-9 OC(c2c(Cl)cccc2)(c3cncnc3)c1ccc(Cl)cc1 -4.38
83-79-4 O=C(C(c(cc(OC)c(OC)c4)c4OC3)C3O2)c1c2c(CC(C(C)=C)O5)c5cc1 -4.42
5635-50-7 CCC(c1ccc(cc1)O)C(c2ccc(O)cc2)CC -4.43
52-86-8 O=C(CCCN2CCC(c3ccc(Cl)cc3)(O)CC2)c1ccc(F)cc1 -4.43
629-04-9 CCCCCCCBr -4.43
50-48-6 CN(CCC=C2c1ccccc1CCc3c2cccc3)C -4.46
2487-01-6 O=N(c(c(C)c1N(=O)=O)c(c(C(C)(C)C)c1)OC(C)=O)=O -4.47
108-70-3 Clc1cc(Cl)cc(Cl)c1 -4.48
4516-69-2 CC1(CC(C)CC1)C -4.48
117-89-5 FC(F)(F)c4cc1c(cc4)Sc3c(cccc3)N1CCCN2CCN(C)CC2 -4.52
5836-10-2 O=C(OC(C)C)C(c2ccc(Cl)cc2)(O)c1ccc(Cl)cc1 -4.53
55-38-9 S=P(OC)(OC)Oc1cc(C)c(SC)cc1 -4.57
1107-99-9 CC2(C=C3)C(C(O)C1)C(CCC2=CC3=O)C(CC4)C1(C)C4(O)C(COC(C(C)(C)C)=O)=O -4.58
1022-46-4 O=C1c(cccc2)c2N=C(c3ccccc3)O1 -4.61
103-29-7 c1(CCc2ccccc2)ccccc1 -4.62
56-47-3 CC(C2C(COC(C)=O)=O)(CC1)C(CC2)C(CCC3=CC4=O)C1C3(CC4)C -4.63
145-13-1 OC(C4)CCC1(C)C4=CCC2C1CCC3(C)C2CCC3C(C)=O -4.65
581-40-8 Cc1cc(cccc2)c2cc1C -4.72
529-86-2 Oc2c3c(cccc3)cc1ccccc12 -4.73
51-98-9 CC(=O)OC3(CCC4C2CCC1=CC(=O)CCC1C2CCC34C)C#C -4.79
5598-13-0 Clc1cc(Cl)c(OP(OC)(OC)=S)nc1Cl -4.82
57-91-0 CC34CCC2c1c(CCC2C3CCC4O)cc(O)cc1 -4.84
2303-17-5 O=C(SCC(Cl)=C(Cl)Cl)N(C(C)C)C(C)C -4.88
1982-47-4 O=C(N(C)C)Nc1ccc(Oc2ccc(Cl)cc2)cc1 -4.89
581-42-0 Cc2cc1ccc(C)cc1cc2 -4.89
87-68-3 ClC(C(Cl)=C(Cl)Cl)=C(Cl)Cl -4.91
19044-88-3 NS(c1cc(N(=O)=O)c(N(CCC)CCC)c(N(=O)=O)c1)(=O)=O -5.16
2051-62-9 Clc1ccc(c2ccccc2)cc1 -5.2
1077-16-3 CCCCCCc1ccccc1 -5.21
517-09-9 Oc1cc(ccc3c2CCC4(C)C3CCC4=O)c2cc1 -5.24
26002-80-2 O=C(OCc2cccc(Oc3ccccc3)c2)C1C(C=C(C)C)C1(C)C -5.24
85-01-8 c1(c(cccc3)c3cc2)c2cccc1 -5.26
56-72-4 CC(c1c(O2)cc(OP(OCC)(OCC)=S)cc1)=C(C2=O)Cl -5.38
#2597-11-7 OC1C=CC2C1C3(C(Cl)=C(C2(C3(Cl)Cl)Cl)Cl)Cl -5.46
1897-45-6 N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl -5.64
1582-09-8 O=N(=O)c1cc(C(F)(F)F)cc(N(=O)=O)c1N(CCC)CCC -5.68
786-19-6 S=P(OCC)(OCC)SCSc1ccc(Cl)cc1 -5.74
2050-67-1 Clc1cccc(c2cc(Cl)ccc2)c1 -5.8
779-02-2 Cc1c(cccc3)c3cc2c1cccc2 -5.89
1732-13-4 c12c3c4ccc1CCCc2ccc3CCC4 -5.96
37680-65-2 Clc1cc(c2ccccc2Cl)c(Cl)cc1 -6.02
2104-96-3 S=P(OC)(OC)Oc(cc(Cl)c(Br)c1)c1Cl -6.09
72-20-8 ClC1(C2C4C5C(O5)C(C4)C23)C(Cl)=C(Cl)C3(Cl)C1(Cl)Cl -6.18
7012-37-5 Clc1ccc(c2ccc(cc2Cl)Cl)cc1 -6.21
1024-57-3 ClC(C(Cl)=C1Cl)(C2C(O4)C4C(Cl)C23)C(Cl)(Cl)C13Cl -6.29
52645-53-1 CC1(C)C(C=C(Cl)Cl)C1C(OCc2cccc(Oc3ccccc3)c2)=O -6.29
55702-45-9 Clc1ccc(Cl)c(c2ccccc2)c1Cl -6.29
76-44-8 ClC1(C(Cl)=C2Cl)C(C3Cl)C(C=C3)C2(Cl)C1(Cl)Cl -6.32
2437-79-8 Clc(cc(Cl)cc2)c2c1ccc(Cl)cc1Cl -6.51
789-02-6 ClC(Cl)(Cl)C(c1ccc(Cl)cc1)c(cccc2)c2Cl -6.62
1330-78-5 O=P(Oc1ccc(O)cc1C)(Oc2cc(O)ccc2C)Oc3c(O)cccc3C -6.7
57-10-3 CCCCCCCCCCCCCCCC(O)=O -6.81
72-43-5 ClC(Cl)(Cl)C(c2ccc(OC)cc2)c1ccc(OC)cc1 -6.89
117-81-7 O=C(OCC(CC)CCCC)c1ccccc1C(OCC(CC)CCCC)=O -6.96
35693-99-3 Clc(ccc(Cl)c2)c2c1cc(Cl)ccc1Cl -7
52663-62-4 Clc2c(ccc(Cl)c2Cl)c1c(Cl)c(Cl)ccc1 -7.05
33284-53-6 Clc(c(Cl)c(Cl)c(Cl)c2)c2c1ccccc1 -7.16
36653-82-4 CCCCCCCCCCCCCCCCO -7.26
309-00-2 ClC12C3C(C4C=CC3C4)C(C2(Cl)Cl)(Cl)C(Cl)=C1Cl -7.33
192-97-2 c12c3c4c5c(cccc5)c1cccc2ccc3ccc4 -7.8
38380-02-8 Clc1ccc(Cl)c(c2ccc(Cl)c(Cl)c2Cl)c1 -7.91
243-17-4 c1(cc(cccc4)c4c3)c3Cc2c1cccc2 -8.04
218-01-9 c12c(ccc3c2ccc4c3cccc4)cccc1 -8.06
52663-71-5 Clc1c(Cl)c(Cl)ccc1c2c(Cl)c(Cl)c(Cl)cc2Cl -8.3
35065-28-2 Clc1c(Cl)cc(Cl)c(c2ccc(Cl)c(Cl)c2Cl)c1 -8.32
55215-18-4 Clc1c(Cl)c(Cl)c(Cl)c(c2cccc(Cl)c2Cl)c1 -8.42
207-08-9 c12c3c4c(cc(cccc5)c5c4)c1cccc2ccc3 -8.49
92-24-0 c34cc2cc1ccccc1cc2cc3cccc4 -8.6
38411-22-2 Clc1ccc(Cl)c(c1Cl)c2c(Cl)ccc(Cl)c2Cl -8.65
53-70-3 c12c(cccc3)c3ccc1cc4c(ccc5c4cccc5)c2 -8.66
191-24-2 c1(c(cc6)ccc3ccc4ccc5)c3c4c5c2c1c6ccc2 -9.03
40186-72-9 Clc1c(c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c(Cl)c1Cl -10.26
52663-77-1 Clc(c(Cl)c(Cl)c(Cl)c2Cl)c2c1c(Cl)c(Cl)cc(Cl)c1Cl -10.41
37680-73-2 Clc1cc(c2cc(Cl)c(cc2Cl)Cl)c(Cl)cc1 -7.89
94-09-7 Nc1ccc(C(OCC)=O)cc1 -2.32
50-78-2 O=C(C)Oc1c(C(O)=O)cccc1 -1.61
58-55-9 O=C(N1C)c(nc[nH]2)c2N(C)C1=O -1.37
60-80-0 CN1C(C)=CC(N1c2ccccc2)=O 0.39
1912-24-9 CCNc1nc(NC(C)C)nc(Cl)n1 -3.55
50-06-6 O=C(C(CC)(C2=O)c1ccccc1)NC(N2)=O -2.34
330-54-1 O=C(N(C)C)Nc1cc(Cl)c(Cl)cc1 -3.76
67-20-9 O=C(N2)N(CC2=O)N=Cc1ccc(N(=O)=O)o1 -3.38
57-41-0 O=C(NC(N3)=O)C3(c2ccccc2)c1ccccc1 -3.99
439-14-5 O=C1CN=C(c3ccccc3)c2c(ccc(Cl)c2)N1C -3.76
58-22-0 CC12C(CCC3C2CCC4(C)C3CCC4O)=CC(CC1)=O -4.07
58-89-9 ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl -4.60
56-38-2 S=P(OCC)(OCC)Oc1ccc(N(=O)=O)cc1 -4.29
333-41-5 S=P(OCC)(OCC)Oc1nc(C(C)C)nc(C)c1 -3.76
77-09-8 Oc(cc2)ccc2C3(c(cccc4)c4C(O3)=O)c1ccc(O)cc1 -2.9
121-75-5 O=C(OCC)C(CC(OCC)=O)SP(OC)(OC)=S -3.36
2921-88-2 S=P(Oc1nc(Cl)c(Cl)cc1Cl)(OCC)OCC -5.67
363-24-6 CCCCCC(O)C=CC1C(O)CC(C1CC=CCCCC(O)=O)=O -2.47
50-29-3 Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 -8.08
57-74-9 ClC2(C3(Cl)Cl)C(Cl)=C(Cl)C3(Cl)C1C(Cl)C(Cl)CC12 -6.86

***************************************************************
This data set was used in ALOGPS 2.0 (except for several molecules that
were corrected by Dr. A. Yan after publication of this article)

Tetko, I.V.; Tanchuk, V.Yu.; Kasheva, T.N.; Villa, A.E.P. Estimation of
Aqueous Solubility of Chemical Compounds using E-state Indices 
J. Chem. Inf. Comput. Sci., 2001, 41, 1488-1493.

This set is derived from

Huuskonen J.; Estimation of aqueous solubility for a diverse set of organic 
compounds based on molecular topology, J. Chem. Inf. Comput. Sci. 
2000 40, 773-777.

after correction of SMILES and CAS RN of compounds. It was also used in:

Yan, A.; Gasteiger, J.; Prediction of aqueous solubility of organic 
compounds based on a 3D structure representation. 
J. Chem. Inf. Comput. Sci. 2003 43, 429-434.

A new version of the program, ALOGPS 2.1, developed with this set is available on-line at 
https://vcclab.org

First 878 molecules correpond to the training set used in the article
 and also corresponds to the training set of Huuskonen. 
The ALOGPS 2.1 was developed using all molecules.