51-03-6	CCCc1cc2OCOc2cc1COCCOCCOCCCC	1.74
68-12-2	CN(C)C=O	-1.99
76-06-2	ClC(Cl)(Cl)[N+]([O-])=O	4.5
79-09-4	CCC(=O)O	0.04
94-11-1	Clc1cc(Cl)ccc1OCC(=O)OC(C)C	2.58
98-01-1	O=Cc1ccco1	1.5
2439-01-2	Cc1ccc2nc3SC(=O)Sc3nc2c1	3.26
4299-07-4	O=C1c2ccccc2SN1CCCC	3.09
7673-09-8	ClNc1nc(NCl)nc(NCl)n1	2.06
100-02-7	O=[N+]([O-])c1ccc(O)cc1	1.49
101-21-3	Clc1cc(NC(=O)OC(C)C)ccc1	1.57
10222-01-2	BrC(Br)(C#N)C(N)=O	2.02
102851-06-9	Clc3cc(ccc3NC(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F	5.74
103361-09-7	O=C4C=1CCCCC=1C(=O)N4c2cc3c(cc2F)OCC(=O)N3CC#C	2.19
104040-78-0	O=S(=O)(NC(=O)Nc1nc(OC)cc(OC)n1)c2ncccc2C(F)(F)F	0.55
10453-86-8	O=C(OCc2cc(Cc1ccccc1)oc2)C3C(/C=C(\C)C)C3(C)C	5.62
104-55-2	O=C\C=C\c1ccccc1	1.9
104653-34-1	Brc1ccc(cc1)c2ccc(cc2)C4Cc3ccccc3C(C4)C=5C(=O)c6ccccc6SC=5O	4.02
105512-06-9	O=C(OCC#C)[C@@H](C)Oc1ccc(cc1)Oc2ncc(Cl)cc2F	2.95
105726-67-8	CC(C)CCC(C)(CC)C(=O)NC	0.41
10605-21-7	O=C(OC)Nc1nc2ccccc2n1	2.16
1071-83-6	OC(=O)CNCP(=O)(O)O	0.1
107534-96-3	OC(Cn1cncn1)(CCc2ccc(Cl)cc2)C(C)(C)C	1.84
108-62-3	CC1OC(C)OC(C)OC(C)O1	0.41
110488-70-5	O=C(\C=C(/c1ccc(Cl)cc1)c2ccc(OC)c(OC)c2)N3CCOCC3	1.8
1114-71-2	O=C(SCCC)N(CCCC)CC	1.44
111988-49-9	Clc2ncc(CN1CCS\C1=N\C#N)cc2	0.92
112-05-0	O=C(O)CCCCCCCC	0.24
112-12-9	CC(=O)CCCCCCCCC	1.75
112143-82-5	CC(C)(C)c1nc(SCC(=O)OCC)n(n1)C(=O)N(C)C	2.77
112281-77-3	FC(F)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl	1.98
1134-23-2	CCN(C(=O)SCC)C1CCCCC1	1.49
113-48-4	CCC(CCCC)CN2C(=O)[C@@H]3[C@H]1C[C@H](C=C1)[C@@H]3C2=O	3.21
114-26-1	CC(C)Oc1ccccc1OC(=O)NC	1.75
114369-43-6	Clc3ccc(CCC(Cn1cncn1)(C#N)c2ccccc2)cc3	2.35
115-29-7	ClC2=C(Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl	5.69
115-32-2	OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl	3.48
116-06-3	CC(C)(\C=N\OC(=O)NC)SC	2.53
116255-48-2	BrC2CC(Cn1cncn1)(OC2)c3ccc(Cl)cc3Cl	2.35
117337-19-6	O=C(OC)CSc3cc(/N=C1/SC(=O)N2CCCCN12)c(F)cc3Cl	3.97
117718-60-2	CC(C)Cc1c(c(nc(C(F)F)c1C(=O)OC)C(F)(F)F)C2=NCCS2	2.07
118-52-5	O=C1N(Cl)C(=O)N(Cl)C1(C)C	2.34
119168-77-3	Clc2c(C(=O)NCc1ccc(cc1)C(C)(C)C)n(C)nc2CC	4.27
1192-52-5	O=C1SSC(Cl)=C1Cl	4.13
119446-68-3	Clc1ccc(cc1)Oc2ccc(c(Cl)c2)[C@@]4(Cn3ncnc3)OC[C@@H](C)O4	2.58
120068-37-3	FC(F)(F)S(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F	3.25
120116-88-3	N#Cc2nc(Cl)c(c1ccc(C)cc1)n2S(=O)(=O)N(C)C	4.99
120-32-1	Oc2ccc(Cl)cc2Cc1ccccc1	2.48
120-36-5	Clc1cc(Cl)ccc1OC(C)C(=O)O	2.67
120-51-4	O=C(OCc1ccccc1)c2ccccc2	2.18
120928-09-8	CC(C)(C)c1ccc(cc1)CCOc3ncnc2ccccc23	4.43
120-94-5	CN1CCCC1	-1.55
121552-61-2	Cc2cc(nc(Nc1ccccc1)n2)C3CC3	1.97
121-75-5	CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC	3.29
122-39-4	c1ccccc1Nc2ccccc2	1.89
122453-73-0	CCOCn1c(c(C#N)c(Br)c1C(F)(F)F)c2ccc(Cl)cc2	4.74
122454-29-9	Brc1c(C#N)c(nc1C(F)(F)F)c2ccc(Cl)cc2	5.43
124495-18-7	Fc1ccc(cc1)Oc2ccnc3cc(Cl)cc(Cl)c23	3.06
125225-28-7	Clc1ccc(cc1)CC3CCC(C(C)C)C3(O)Cn2cncn2	2.34
126-11-4	O=[N+]([O-])C(CO)(CO)CO	-0.44
126833-17-8	O=C(Nc1ccc(O)c(Cl)c1Cl)C2(C)CCCCC2	2.35
128639-02-1	O=C(OCC)C(Cl)Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F	2.41
131807-57-3	CC2(OC(=O)N(Nc1ccccc1)C2=O)c4ccc(Oc3ccccc3)cc4	4.49
131860-33-8	O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2	2.93
13194-48-4	CCCSP(=O)(SCCC)OCC	2.32
132-66-1	O=C(O)c1ccccc1C(=O)Nc3cccc2ccccc23	0.58
133-07-3	ClC(Cl)(Cl)SN2C(=O)c1ccccc1C2=O	4.3
134-20-3	Nc1ccccc1C(=O)OC	0.77
134605-64-4	O=C(OCC=C)C(C)(C)OC(=O)c1cc(ccc1Cl)N2C(=O)C=C(N(C)C2=O)C(F)(F)F	2.09
134-62-3	Cc1cccc(c1)C(=O)N(CC)CC	0.43
135158-54-2	O=C(SC)c1cccc2nnsc12	2.38
135590-91-9	O=C(OCC)C2(C)CC(=NN2c1ccc(Cl)cc1Cl)C(=O)OCC	1.95
136-45-8	O=C(OCCC)c1cnc(cc1)C(=O)OCCC	2.4
13684-56-5	O=C(Oc1cccc(c1)NC(=O)OCC)Nc2ccccc2	2.25
13684-63-4	O=C(Oc1cccc(c1)NC(=O)OC)Nc2cc(C)ccc2	2.33
137-26-8	CN(C)C(=S)SSC(=S)N(C)C	3.27
138261-41-3	[O-][N+](=O)/N=C2\NCCN2Cc1cnc(Cl)cc1	0.05
138-86-3	CC1=CCC(CC1)C(C)=C	0.23
141112-29-0	O=C(c2cnoc2C1CC1)c3ccc(cc3S(C)(=O)=O)C(F)(F)F	0.35
142459-58-3	O=C(COc1nnc(s1)C(F)(F)F)N(c2ccc(F)cc2)C(C)C	2.02
143390-89-0	O=C(OC)/C(=N\OC)c2ccccc2COc1ccccc1C	3.22
14433-76-2	CN(C)C(=O)CCCCCCCCC	0.98
148-79-8	n1c3ccccc3nc1c2cscn2	2.56
149877-41-8	COc1ccc(cc1NNC(=O)OC(C)C)c2ccccc2	2.6
156052-68-5	Clc1cc(cc(Cl)c1C)C(=O)NC(C)(CC)C(=O)CCl	3.33
1563-66-2	CNC(=O)Oc1cccc2CC(C)(C)Oc12	2.72
1596-84-5	O=C(NN(C)C)CCC(=O)O	0.03
15972-60-8	ClCC(=O)N(COC)c1c(cccc1CC)CC	2.18
16079-88-2	O=C1N(Cl)C(=O)N(Br)C1(C)C	2.51
1610-18-0	COc1nc(NC(C)C)nc(NC(C)C)n1	1.05
161326-34-7	CSC2=N[C@](C)(C(=O)N2Nc1ccccc1)c3ccccc3	2.62
163269-30-5	O=S3CCON=C3c1cc2ccccc2s1	3.76
163515-14-8	Cc1csc(C)c1N(C(C)COC)C(=O)CCl	1.64
163520-33-0	CCOC(=O)C=1CC(ON=1)(c2ccccc2)c3ccccc3	2.94
1646-88-4	CC(C)(/C=N/OC(=O)NC)S(C)(=O)=O	0.72
16672-87-0	ClCCP(=O)(O)O	0.08
16752-77-5	C\C(=N\OC(=O)NC)SC	1.68
1689-84-5	Brc1cc(cc(Br)c1O)C#N	2.12
173584-44-6	FC(F)(F)Oc1ccc(cc1)N(C(=O)OC)C(=O)N2N=C3c4ccc(Cl)cc4CC3(OC2)C(=O)OC	2.91
175013-18-0	O=C(OC)N(OC)c3ccccc3COc1ccn(n1)c2ccc(Cl)cc2	4.8
178928-70-6	S=C3N=CNN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2	2.27
179101-81-6	Cl\C(Cl)=C\COc2cc(Cl)c(OCCCOc1ccc(cn1)C(F)(F)F)c(Cl)c2	2.99
183675-82-3	O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F	2.97
1861-32-1	Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl	1.7
1861-40-1	CC(C)N(CCC(=O)OCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12	3.62
188425-85-6	O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl	2.1
188489-07-8	O=C(OCC)COc1cc(c(F)cc1Cl)N2N=CC(=C(C)C2=O)C(F)(F)F	2.04
1897-45-6	Clc1c(C#N)c(Cl)c(C#N)c(Cl)c1Cl	3.75
19044-88-3	O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O	2.03
1912-24-9	Clc1nc(NCC)nc(NC(C)C)n1	1.61
1918-16-7	CC(C)N(C(=O)CCl)c1ccccc1	3.1
1928-43-4	Clc1cc(Cl)ccc1OCC(=O)OCC(CC)CCCC	0.54
1929-73-3	Clc1cc(Cl)ccc1OCC(=O)OCCOCCCC	2.19
1929-77-7	O=C(SCCC)N(CCC)CCC	1.76
1929-82-4	ClC(Cl)(Cl)c1cccc(Cl)n1	1.76
19666-30-9	O=C2OC(=NN2c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C	2.52
1982-49-6	O=C(N[C@H]1CCCC[C@H]1C)Nc2ccccc2	1.46
20018-09-1	Cc1ccc(cc1)S(=O)(=O)C(I)I	3.51
2008-41-5	CC(C)CN(CC(C)C)C(=O)SCC	1.71
2032-59-9	O=C(Oc1cc(C)c(cc1)N(C)C)NC	1.39
2032-65-7	Cc1cc(cc(C)c1SC)OC(=O)NC	1.68
203313-25-1	O=C(OCC)OC2=C(C(=O)NC12CCC(CC1)OC)c3cc(C)ccc3C	2.17
21087-64-9	O=C1C(=NN=C(SC)N1N)C(C)(C)C	0.45
2164-17-2	O=C(Nc1cc(ccc1)C(F)(F)F)N(C)C	0.95
2212-67-1	O=C(SCC)N1CCCCCC1	0.97
2224-44-4	[O-][N+](=O)C(CC)CN1CCOCC1	2.4
2227-17-0	ClC1(C(Cl)=C(Cl)C(Cl)=C1Cl)C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl	3.98
22781-23-3	CNC(=O)Oc1cccc2OC(C)(C)Oc12	2.16
23031-36-9	O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC#C	4.4
2303-17-5	Cl/C(Cl)=C(/Cl)CSC(=O)N(C(C)C)C(C)C	2.4
2310-17-0	CCOP(=S)(OCC)SCN1c2ccc(Cl)cc2OC1=O	2.77
23103-98-2	Cc1nc(nc(OC(=O)N(C)C)c1C)N(C)C	0.48
23135-22-0	O=C(C(=N\OC(=O)NC)\SC)N(C)C	1.72
23564-05-8	S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC	1.49
239110-15-7	Clc2cccc(Cl)c2C(=O)NCc1ncc(cc1Cl)C(F)(F)F	3.04
23950-58-5	Clc1cc(cc(Cl)c1)C(=O)NC(C)(C)C#C	1.38
240494-70-6	C\C=C\C2C(C(=O)OCc1c(F)c(F)c(COC)c(F)c1F)C2(C)C	5.48
25168-15-4	Clc1cc(OCC(=O)OCCCCCC(C)C)c(Cl)cc1Cl	1.34
25168-26-7	Clc1cc(Cl)ccc1OCC(=O)OCCCCCC(C)C	1.18
2527-66-4	O=C1c2ccccc2SN1C	2.84
25311-71-1	S=P(Oc1ccccc1C(=O)OC(C)C)(NC(C)C)OCC	2.28
2536-31-4	O=C(OC)C3(O)c1ccccc1c2ccc(Cl)cc23	1.99
2593-15-9	ClC(Cl)(Cl)c1nc(OCC)sn1	2.51
26002-80-2	C/C(C)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C	4.32
26225-79-6	CS(=O)(=O)Oc1cc2c(cc1)OC(OCC)C2(C)C	1.4
2634-33-5	O=C2NSc1ccccc12	1.98
26530-20-1	O=C1C=CSN1CCCCCCCC	3.51
2665-13-6	CC2CCOB(OC(C)CCOB1OCCC(C)O1)O2	0.61
2675-77-6	COc1cc(Cl)c(cc1Cl)OC	1.75
27314-13-2	FC(F)(F)c1cc(ccc1)N2N=CC(NC)=C(Cl)C2=O	1.57
28159-98-0	CSc2nc(NC1CC1)nc(NC(C)(C)C)n2	2.48
28249-77-6	Clc1ccc(CSC(=O)N(CC)CC)cc1	2.35
283594-90-1	CC(C)(C)CC(=O)OC2=C(C(=O)OC12CCCC1)c3c(C)cc(C)cc3C	4.34
28434-01-7	O=C(OCc2cc(Cc1ccccc1)oc2)[C@@H]3[C@@H](/C=C(\C)C)C3(C)C	5.74
2921-88-2	Clc1cc(Cl)c(Cl)nc1OP(=S)(OCC)OCC	4.11
2939-80-2	ClC(Cl)C(Cl)(Cl)SN1C(=O)[C@H]2CC=CC[C@H]2C1=O	2.84
29450-45-1	Clc1cc(C)c(OCC(=O)OCC(CC)CCCC)cc1	1.99
298-04-4	CCSCCSP(=S)(OCC)OCC	1.96
301-12-2	O=S(CCSP(=O)(OC)OC)CC	2.53
30560-19-1	O=C(C)NP(=O)(OC)SC	-0.6
31218-83-4	COP(=S)(NCC)OC(\C)=C/C(=O)OC(C)C	2.03
314-40-9	CC[C@@H](C)N1C(=O)C(Br)=C(C)NC1=O	0.86
315-18-4	O=C(Oc1cc(C)c(c(C)c1)N(C)C)NC	1.2
3244-90-4	CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC	3.57
330-54-1	Clc1ccc(NC(=O)N(C)C)cc1Cl	2.08
330-55-2	Clc1ccc(NC(=O)N(C)OC)cc1Cl	1.91
33245-39-5	[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCCl)CCC)C(F)(F)F	4.47
333-41-5	Cc1cc(OP(=S)(OCC)OCC)nc(n1)C(C)C	2.88
33629-47-9	[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1NC(C)CC)C(C)(C)C	2.9
3380-34-5	Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O	3
33820-53-0	[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(C)C	2.59
3383-96-8	COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC	1.69
34014-18-1	CC(C)(C)c1nnc(s1)N(C)C(=O)NC	0.2
34256-82-1	ClCC(=O)N(COCC)c1c(C)cccc1CC	2.35
35367-38-5	Clc2ccc(NC(=O)NC(=O)c1c(F)cccc1F)cc2	0.35
3547-33-9	OCCSCCCCCCCC	1.82
35554-44-0	Clc2ccc(C(OCC=C)Cn1ccnc1)c(Cl)c2	2.17
35691-65-7	N#CCCC(Br)(CBr)C#N	2.18
361377-29-9	Clc4ccccc4Oc3ncnc(Oc2ccccc2C(=N\OC)\C=1OCCON=1)c3F	3.02
36734-19-7	O=C2CN(C(=O)NC(C)C)C(=O)N2c1cc(Cl)cc(Cl)c1	1.9
3689-24-5	CCOP(=S)(OCC)OP(=S)(OCC)OCC	2.51
3691-35-8	Clc1ccc(cc1)C(c2ccccc2)C(=O)C4C(=O)c3ccccc3C4=O	2.92
374726-62-2	Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2	1.97
37764-25-3	ClC(Cl)C(=O)N(CC=C)CC=C	0.17
3861-41-4	Brc1cc(cc(Br)c1OC(=O)CCC)C#N	4.08
38727-55-8	ClCC(=O)N(CC(=O)OCC)c1c(cccc1CC)CC	2.04
39300-45-3	O=C(Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(C)CCCCCC)\C=C\C	4.2
39515-40-7	C/C(C)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C	6.01
40487-42-1	[O-][N+](=O)c1c(C)c(C)cc([N+]([O-])=O)c1NC(CC)CC	3.31
41198-08-7	Brc1cc(Cl)c(OP(=O)(OCC)SCCC)cc1	4.17
42509-83-1	CC(C)n1nc(OP(=S)(OC)OC)nc1Cl	4.18
42874-03-3	Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F	2.95
43121-43-3	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2	1.86
4437-85-8	O=C1OCC(CC)O1	-0.6
4602-84-0	C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CO	2.09
50471-44-8	O=C1N(C(=O)O[C@@]1(C)C=C)c2cc(Cl)cc(Cl)c2	2
510-15-6	OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(=O)OCC	2.4
51338-27-3	Clc2cc(Cl)ccc2Oc1ccc(OC(C)C(=O)OC)cc1	2.28
51596-11-3	OC3C(C)=CC4C(=O)OC1CC(OC2(C1)CCC(C)C(CC)O2)CC=C(C)CC(C)C=CC=C5COC3C45O	5.08
51630-58-1	Clc1ccc(cc1)C(C(C)C)C(=O)OC(C#N)c3cccc(Oc2ccccc2)c3	6.21
52292-17-8	CC(C)CCCCCCCCCCCCCCCOCCOCCO	0.56
52315-07-8	Cl\C(Cl)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C	5.67
5234-68-4	O=C(Nc1ccccc1)C=2SCCOC=2C	2.07
52-51-7	[O-][N+](=O)C(Br)(CO)CO	1
52645-53-1	Cl\C(Cl)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C	4.87
52-68-6	OC(C(Cl)(Cl)Cl)P(=O)(OC)OC	2.16
52918-63-5	Br\C(Br)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C	5.74
53042-79-8	CC(=O)OCCCCCC\C=C/CC\C=C\CCCC	0.47
53112-28-0	Cc2cc(C)nc(Nc1ccccc1)n2	1.29
533-74-4	S=C1SCN(C)CN1C	1
542-75-6	Cl\C=C/CCl	1.45
5437-45-6	BrCC(=O)OCc1ccccc1	3.26
55179-31-2	CC(C)(C)[C@H](O)[C@H](Oc1ccc(cc1)c2ccccc2)n3cncn3	2.19
55219-65-3	CC(C)(C)[C@@H](O)[C@H](Oc1ccc(Cl)cc1)n2cncn2	1.32
55283-68-6	CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)n2)NC	3.95
55-38-9	Cc1cc(ccc1SC)OP(=S)(OC)OC	2.53
55406-53-6	O=C(NCCCC)OCC#CI	3.59
556-61-6	C\N=C=S	3.15
5598-13-0	Clc1cc(Cl)c(Cl)nc1OP(=S)(OC)OC	4.41
56073-10-0	Brc1ccc(cc1)c2ccc(cc2)C4Cc3ccccc3C(C4)C5=C(O)c6ccccc6OC5=O	4.32
563-12-2	S=P(SCSP(=S)(OCC)OCC)(OCC)OCC	2.89
56425-91-3	OC(C(C)C)(c1cncnc1)c2ccc(OC(F)(F)F)cc2	1.3
56-72-4	CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C	1.79
57837-19-1	C[C@@H](N(C(=O)COC)c1c(C)cccc1C)C(=O)OC	0.33
57966-95-7	N#C\C(=N\OC)C(=O)NC(=O)NCC	0.51
58842-20-9	O=[N+]([O-])\C=C1\NCCCS1	0.14
5902-51-2	O=C1NC(C)=C(Cl)C(=O)N1C(C)(C)C	0.67
5915-41-3	Clc1nc(NCC)nc(NC(C)(C)C)n1	1.83
59-50-7	Oc1ccc(Cl)c(C)c1	2.19
59669-26-0	CN(SN(C)C(=O)O\N=C(\C)SC)C(=O)O\N=C(\C)SC	2.01
59756-60-4	CN1C=C(C(=O)C(=C1)c2cc(ccc2)C(F)(F)F)c3ccccc3	1.81
60168-88-9	O[C@@](c1ccccc1Cl)(c2cncnc2)c3ccc(Cl)cc3	2.03
60207-90-1	Clc1ccc(c(Cl)c1)C3(Cn2ncnc2)OCC(CCC)O3	2.6
60-51-5	COP(=S)(OC)SCC(=O)NC	1.49
624-92-0	CSSC	1.99
62-73-7	COP(=O)(OC)O\C=C(\Cl)Cl	3.34
62924-70-3	Clc2cccc(F)c2CN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O	4.24
6317-18-6	N#CSCSC#N	2.73
64359-81-5	ClC=1SN(CCCCCCCC)C(=O)C=1Cl	5.02
643-79-8	O=Cc1ccccc1C=O	3.27
64700-56-7	Clc1cc(Cl)c(Cl)nc1OCC(=O)OCCOCCCC	2.74
66332-96-5	CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F	1.78
66841-25-6	BrC(Br)(Br)[C@@H](Br)[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C	5.62
67485-29-4	CC3(C)CN/C(=N\N=C(/C=C/c1ccc(cc1)C(F)(F)F)\C=C\c2ccc(cc2)C(F)(F)F)NC3	3.49
67564-91-4	CC2CN(CC(C)Cc1ccc(cc1)C(C)(C)C)CC(C)O2	1.94
68085-85-8	Cl\C(=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F	5.92
68157-60-8	Clc2cc(NC(=O)Nc1ccccc1)ccn2	1.43
68359-37-5	Cl\C(Cl)=C/C3C(C(=O)OC(C#N)c2ccc(F)c(Oc1ccccc1)c2)C3(C)C	6.16
68694-11-1	FC(F)(F)c2cc(Cl)ccc2\N=C(/COCCC)n1ccnc1	2.78
69409-94-5	Clc3cc(ccc3NC(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F	5.24
69806-50-4	O=C(OCCCC)C(C)Oc1ccc(cc1)Oc2ccc(cn2)C(F)(F)F	2.43
71283-80-2	O=C(OCC)[C@@H](C)Oc1ccc(cc1)Oc2nc3ccc(Cl)cc3o2	2.8
7166-19-0	Br/C(=C/c1ccccc1)[N+]([O-])=O	3.93
71751-41-2	C[C@H]4C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@@H]5C[C@]1(C=C[C@H](C)[C@H](O1)C(C)C)O[C@H](CC=C(C)[C@H]4O[C@@H]3O[C@@H](C)[C@H](O[C@H]2C[C@H](OC)[C@@H](O)[C@H](C)O2)[C@@H](OC)C3)C5)[C@]67O.CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)O[C@@H]3C(C)=CC[C@@H]6C[C@H](OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@]7(O6)C=C[C@H](C)[C@H](O7)[C@@H](C)CC	5.38
7212-44-4	C/C(C)=C\CCC(\C)=C\CCC(C)(O)C=C	2.09
72490-01-8	O=C(OCC)NCCOc1ccc(cc1)Oc2ccccc2	2.66
7287-19-6	CSc1nc(NC(C)C)nc(NC(C)C)n1	1.92
72963-72-5	O=C2CN(CC#C)C(=O)N2COC(=O)C1C(/C=C(\C)C)C1(C)C	3.9
732-11-6	COP(=S)(OC)SCN2C(=O)c1ccccc1C2=O	3.14
74051-80-2	CCC\C(NOCC)=C1/C(=O)CC(CC(C)SCC)CC1=O	0.28
741-58-2	O=S(=O)(NCCSP(=S)(OC(C)C)OC(C)C)c1ccccc1	2.56
759-94-4	CCCN(CCC)C(=O)SCC	0.98
76578-14-8	O=C(OCC)C(C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2	2.63
7664-38-2	O=P(O)(O)O	0.05
76674-21-0	OC(Cn1cncn1)(c2ccccc2F)c3ccc(F)cc3	0.69
76738-62-0	OC(C(Cc1ccc(Cl)cc1)n2cncn2)C(C)(C)C	1.02
7696-12-0	C\C(C)=C/C3C(C(=O)OCN2C(=O)C=1CCCCC=1C2=O)C3(C)C	4.95
7747-35-5	CCC12COCN2COC1	-0.19
7779-27-3	CCN1CN(CN(CC)C1)CC	0.69
78-48-8	CCCCSP(=O)(SCCCC)SCCCC	2.27
78-70-6	CC(O)(C=C)CC\C=C(\C)C	0.73
79622-59-6	[O-][N+](=O)c2cc(c(Cl)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F	3.63
80844-07-1	CCOc1ccc(cc1)C(C)(C)COCc3cc(Oc2ccccc2)ccc3	5.06
81335-77-5	C[C@@]1(N=C(NC1=O)c2ncc(CC)cc2C(=O)O)C(C)C	-0.08
82633-79-2	CN2SC=1CCCC=1C2=O	2.24
82-68-8	Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)[N+]([O-])=O	2.97
834-12-8	CSc1nc(NCC)nc(NC(C)C)n1	1.8
83-79-4	C=C(C)[C@@H]2Oc3ccc1C(=O)[C@H]4c5cc(OC)c(OC)cc5OC[C@H]4Oc1c3C2	5.15
85264-33-1	Cc1cc(C)nn1CO	0.01
858954-83-3	O=C(OC)c1nc(nc(N)c1Cl)C2CC2	1.21
86209-51-0	O=C(Nc1nc(cc(OC(F)F)n1)OC(F)F)NS(=O)(=O)c2ccccc2C(=O)OC	0.35
865363-39-9	Clc1cc(Cl)ccc1O[C@H](C)C(=O)OCC(CC)CCCC	1.64
86-87-3	O=C(O)Cc2cccc1ccccc12	0.82
87392-12-9	Clc3ccc(/N=C(/SCc1ccc(Cl)cc1)Cn2cncn2)c(Cl)c3	1.38
874967-67-6	FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1	2.52
87674-68-8	Cc1csc(C)c1N(C(=O)CCl)[C@@H](C)COC	2.03
87-86-5	Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl	3.55
87-90-1	ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O	2.8
88-04-0	Oc1cc(C)c(Cl)c(C)c1	2.31
88-30-2	O=[N+]([O-])c1ccc(O)cc1C(F)(F)F	2.03
90-43-7	Oc2ccccc2c1ccccc1	1.63
90982-32-4	O=C(Nc1nc(cc(Cl)n1)OC)NS(=O)(=O)c2ccccc2C(=O)OCC	1.69
91-20-3	c1cccc2ccccc12	1.81
91465-08-6	Cl\C(=C/[C@@H]3[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F	6.27
91-53-2	CCOc1ccc2NC(C)(C)C=C(C)c2c1	1.08
92-52-4	c1cc(ccc1)c2ccccc2	1.92
94361-06-5	OC(Cn1cncn1)(C(C)C2CC2)c3ccc(Cl)cc3	1.19
944-22-9	S=P(Sc1ccccc1)(CC)OCC	3.69
94-74-6	Clc1cc(C)c(OCC(=O)O)cc1	0.35
94-75-7	Clc1cc(Cl)ccc1OCC(=O)O	-0.21
94-80-4	Clc1cc(Cl)ccc1OCC(=O)OCCCC	2.84
94-82-6	Clc1cc(Cl)ccc1OCCCC(=O)O	1.24
950-37-8	O=C1SC(=NN1CSP(=S)(OC)OC)OC	4.48
950782-86-2	CC(F)c3nc(N)nc(NC1C(C)Cc2ccc(C)cc12)n3	2.72
95266-40-3	O=C(OCC)C1CC(=O)/C(C(=O)C1)=C(/O)C2CC2	0.58
95465-99-9	CC[C@H](C)SP(=O)(S[C@@H](C)CC)OCC	3.31
96182-53-5	CC(C)(C)c1ncc(OP(=S)(OCC)OC(C)C)cn1	2.16
96489-71-3	CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C)=C(Cl)C2=O	5.2
97886-45-8	FC(F)(F)c1nc(c(c(CC(C)C)c1C(=O)SC)C(=O)SC)C(F)F	2.94
98886-44-3	CC(CC)SP(=O)(OCC)N1CCSC1=O	0.41
99-30-9	Clc1cc(cc(Cl)c1N)[N+]([O-])=O	2.57
