+1 CCc1nc(OCC)cc(OP(=S)(OC)OC)n1 17.920   
#2 Clc1nc(NCC)nc(NCC)n1 17.850   
#3 COP(=S)(NCC)OC(\C)=C/C(=O)OC(C)C 17.970   
#4 Clc1cc(Cl)ccc1OP(=S)(OCC)OCC 18.800   
*5 Clc1cc(cc(Cl)c1)C(=O)NC(C)(C)C#C 18.720   
#6 Clc2nc(NC1CC1)nc(NC(C)C)n2 20.180   
+7 Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]1Cl 20.310   
*8 CC(N(C(=O)COC)c1c(C)cccc1C)C(=O)OC 20.670   
*9 S=P(Oc1ccc(cc1)[N+]([O-])=O)(OC)OC 20.820   
#10 O=C2c1ccccc1C(=O)c3ccccc23 21.490   
+11 CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC 21.540   
*12 S=P(Oc1cc(C)c(cc1)[N+]([O-])=O)(OC)OC 21.620   
#13 ClC(Cl)C(=O)N(CC=C)CC=C 9.740    
+14 CCOP(=S)(OCC)SCCl 10.530   
-15 CC(C)OC(=O)Nc1ccccc1 11.360   
-16 CCN(C(=O)SCC)C1CCCCC1 13.560   
+17 c1ccccc1Nc2ccccc2 14.550   
*18 CCN(CC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O 19.350   
#19 CSc1nc(NC(C)C)nc(NC(C)C)n1 20.130   
+20 [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CC(=C)C)CC)C(F)(F)F 15.000   
#21 CCSCSP(=S)(OCC)OCC 15.460   
*22 CCSCCSP(=S)(OC)OC 16.200   
#23 Nc1nc(NC(C)C)nc(Cl)n1 16.760   
+24 Clc2ccccc2CN1OCC(C)(C)C1=O 17.000   
+25 Cc1cc(OP(=S)(OCC)OCC)nc(n1)C(C)C 17.140   
*26 S=P(Sc1ccccc1)(CC)OCC 17.310   
+27 Clc1ccc(NC(=O)N(C)OC)cc1Cl 22.440   
*28 Clc1cc(OP(=S)(OCC)OCC)c(Cl)cc1Br 23.060   
-29 CCOP(=S)(OCC)Oc1cnc2ccccc2n1 23.100   
#30 ClC2=C(Cl)[C@]3(Cl)[C@H]1C[C@@H](Cl)[C@H](Cl)[C@H]1[C@@]2(Cl)C3(Cl)Cl 23.290   
#31 O=C(OCC)C(SP(=S)(OC)OC)c1ccccc1 23.300   
*32 O=C(CCl)N(Cn1cccn1)c2c(C)cccc2C 23.320   
#33 Clc1cc(Cl)ccc1OP(=S)(OCC)SCCC 24.040   
*34 O=C(O)C3(O)c1ccccc1c2ccc(Cl)cc23 24.150   
*35 ClC1=C(Cl)[C@]2(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@H]3[C@@H]2[C@H]4C[C@@H]3[C@@H]5O[C@H]45 24.430   
#36 Clc1cc(cc(Cl)c1)N2C(=O)C3(C)CC3(C)C2=O 24.360   
#37 O=C1SC(=NN1CSP(=S)(OC)OC)OC 24.490   
+38 O=C2OC(=NN2c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C 25.060   
*39 Cc1cc(ccc1SC)OP(=O)(NC(C)C)OCC 25.290   
-41 S=P(SCSP(=S)(OCC)OCC)(OCC)OCC 26.690   
*42 Clc1ccc(c(Cl)c1)C3(Cn2ncnc2)OCC(CC)O3 26.890   
#43 Clc2cc(Cl)ccc2Oc1ccc(OC(C)C(=O)OC)cc1 28.080   
*44 Clc1ccc(c(Cl)c1)C3(Cn2ncnc2)OCC(CCC)O3 28.150   
*45 Cl\C(=C/[C@@H]3[C@H](C(=O)OCc2cccc(c1ccccc1)c2C)C3(C)C)C(F)(F)F 28.570   
+46 O=C(Nc1ccccc1)c2ccccc2I 29.140   
*47 OC(c1ccccc1Cl)(c2cncnc2)c3ccc(F)cc3 28.900   
-48 COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl 29.380   
+49 OC(Cn1cncn1)(CCc2ccc(Cl)cc2)C(C)(C)C 29.510   
-50 FC(F)(F)c1cc(ccc1)N2N=CC(NC)=C(Cl)C2=O 29.990   
*51 c1cc(ccc1S(=O)(=O)c2cc(c(cc2Cl)Cl)Cl)Cl 30.700   
+52 CC=1OCCS(=O)(=O)C=1C(=O)Nc2ccccc2 31.000   
*53 Cl\C(Cl)=C/[C@H]3[C@@H](C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C 31.420   
#54 Cl\C(Cl)=C/[C@@H]3[C@@H](C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C 31.680   
+55 Cl\C(Cl)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C 33.190   
*56 Clc1ccc(cc1)C(C(C)C)C(=O)OC(C#N)c3cccc(Oc2ccccc2)c3 34.450   
+57 CC(C)CN(CC(C)C)C(=O)SCC 9.490    
-58 O=C(SCCC)N(CCCC)CC 10.180   
+59 ClC(Cl)(Cl)c1cccc(Cl)n1 10.890   
-60 COc1cc(Cl)c(cc1Cl)OC 11.850   
-61 Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl 13.540   
+62 Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 14.690   
*63 Cl\C=C(/Cl)CSC(=O)N(C(C)C)C(C)C 14.750   
#64 Cl\C=C(\Cl)CSC(=O)N(C(C)C)C(C)C 15.290   
-65 [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(F)(F)F 15.230   
#66 Clc1cc(NC(=O)OC(C)C)ccc1 15.490   
-67 CCOP(=S)(OCC)OP(=S)(OCC)OCC 15.550   
#69 CC(C)(C)SCSP(=S)(OCC)OCC 16.830   
+70 S=P(SC1OCCOC1SP(=S)(OCC)OCC)(OCC)OCC 17.510   
#71 Clc1nc(NC(C)C)nc(NC(C)C)n1 17.670   
+72 Clc1cc(cc(Cl)c1N)[N+]([O-])=O 17.890   
*73 Clc1ccc(NC(=O)N(C)OC)cc1 18.150   
#74 S=P(Oc1ccc(cc1)C#N)(OC)OC 18.730   
#75 Clc1cc(Cl)c(Cl)nc1OP(=S)(OC)OC 19.380   
-76 CSc1nc(NC)nc(NC(C)C)n1 19.640   
#77 ClCC(=O)N(CCOC)c1c(C)cccc1C 19.800   
#78 ClCC(=O)N(COC)c1c(cccc1CC)CC 20.030   
-79 CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1 20.300   
*80 Clc1ccc(CSC(=O)N(CC)CC)cc1 20.630   
#81 CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC 20.620   
-82 OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl 21.330   
#83 ClC1=C(Cl)[C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)[C@@H]2[C@@H]4O[C@]4(Cl)[C@H](Cl)[C@H]23 21.630   
-84 CCN(CC)c1nc(C)cc(OP(=S)(OCC)OCC)n1 21.590   
+85 CC(C)OC(=O)\C=C(/C)\C=C\C[C@@H](C)CCCC(C)(C)OC 21.710   
*86 Clc1cc(OP(=S)(OC)OC)c(Cl)cc1Br 21.750   
+87 CN(C)S(=O)(=O)N(SC(Cl)(Cl)F)c1ccccc1 21.680   
+88 CS(=O)(=O)Oc1cc2c(cc1)OC(OCC)C2(C)C 21.840   
#89 Clc1cc(ccc1OP(=O)(NC)OC)C(C)(C)C 22.930   
*90 Clc1cc(Cl)ccc1C(\OP(=O)(OCC)OCC)=C\Cl 23.190   
#91 ClC2=C(Cl)[C@]3(Cl)[C@H]1C[C@H](Cl)[C@H](Cl)[C@H]1[C@@]2(Cl)C3(Cl)Cl 23.550   
-92 CN(C)S(=O)(=O)N(SC(Cl)(Cl)F)c1ccc(C)cc1 23.450   
-93 CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C(=O)OCC 23.830   
#94 O=P(OC)(OC)OC(\C)=C\C(=O)OC(C)c1ccccc1 23.940   
-95 Clc1cc(I)c(Cl)cc1OP(=S)(OC)OC 24.330   
#96 Clc1cc(C(=C\Cl)\OP(=O)(OOC)OOC)c(Cl)cc1Cl 24.360   
-97 Brc1cc(Cl)c(OP(=O)(OCC)SCCC)cc1 24.650   
-99 CC(C)(C)/N=C2\SCN(c1ccccc1)C(=O)N2C(C)C 24.870   
#100 OC(CCCC)(Cn1cncn1)c2ccc(Cl)cc2Cl 24.920   
-101 Clc1ccc(cc1)S(=O)(=O)Oc2ccc(Cl)cc2 25.050   
#102 O[C@H]([C@H](Cc1ccc(Cl)cc1)n2cncn2)C(C)(C)C 25.210   
-103 CSc1nc(NCCCOC)nc(NC(C)C)n1 25.630   
-104 Clc1cc(OCCOC(=O)C(C)(Cl)Cl)c(Cl)cc1Cl 25.680   
#105 OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(=O)OC(C)C 25.850   
+106 Clc2cc(Cl)ccc2Oc1ccc(cc1)[N+]([O-])=O 26.120   
*107 Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F 26.130   
+108 CSc1cc(Cl)c(cc1Cl)OP(=O)(OCC)OCC 26.520   
+110 Fc1ccc(cc1Cl)N(C(=O)c2ccccc2)[C@@H](C)C(=O)OC(C)C 26.700   
-111 Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl 27.220   
+112 Clc1ccc(SCSP(=S)(OCC)OCC)cc1 27.190   
*113 CC(N(C(=O)Cc1ccccc1)c2c(C)cccc2C)C(=O)OC 27.540   
-114 O=P(Sc1ccccc1)(Sc2ccccc2)OCC 27.940   
+115 O=S(=O)(Cc1ccc(Cl)cc1)c2ccc(Cl)cc2 28.880   
-116 ClC2=C(Cl)[C@]3(Cl)C1COS(=O)(=O)OCC1[C@@]2(Cl)C3(Cl)Cl 29.050   
-117 OC(c1ccc(Br)cc1)(c2ccc(Br)cc2)C(=O)OC(C)C 29.300   
#118 Clc1ccc(cc1Cl)N(C(=O)c2ccccc2)[C@@H](C)C(=O)OCC 29.400   
*119 CC3(C)C(C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C 29.560   
+120 CCOP(=S)(OCC)SCN1c2ccc(Cl)cc2OC1=O 31.220   
-121 COP(=S)(OC)SCN1N=Nc2ccccc2C1=O 31.410   
+122 OC(c1ccccc1Cl)(c2cncnc2)c3ccc(Cl)cc3 31.650   
+123 O=C(N(CCOc1c(Cl)cc(Cl)cc1Cl)C(C)C)n2ccnc2 33.070   
+124 CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C 33.220   
*125 Cl\C(Cl)=C/[C@H]3[C@@H](C(=O)O[C@@H](C#N)c2ccc(F)c(Oc1ccccc1)c2)C3(C)C 32.940   
+126 COP(=O)(OC)O\C=C(\Cl)Cl 7.800    
+127 O=C(SCCC)N(CCC)CCC 9.820    
+128 Nc1cc(Cl)cc(Cl)c1 11.200   
#129 COP(=S)(OC)O\C=C(/C)C(=O)OC 11.860   
+130 Oc2ccccc2c1ccccc1 12.470   
+131 O=C1NC(=O)[C@@H]2CC=CC[C@H]12 13.390   
+132 O=C(Oc1ccccc1C(C)CC)NC 14.600   
-133 [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCCC)CC)C(F)(F)F 15.230   
*134 COc1nc(NC(C)C)nc(NC(C)C)n1 16.660   
#135 Cl/C(Cl)=C(/Cl)CSC(=O)N(C(C)C)C(C)C 17.120   
+136 Cc2cc(C)nc(Nc1ccccc1)n2 17.280   
+137 CC(C)OP(=O)(SCc1ccccc1)OC(C)C 18.440   
-138 CC(C)n1nc(OP(=S)(OCC)OCC)nc1Cl 18.540   
-139 C[C@@H]2CN(CC(C)Cc1ccc(cc1)C(C)(C)C)C[C@H](C)O2 19.220   
*140 CC2(C)[C@@H](/C=C(/Cl)Cl)[C@@H]2OC(=O)Cc1c(F)c(F)cc(F)c1F 19.040   
*141 Clc1cc(C)cc(Cl)c1OP(=S)(OC)OC 19.690   
*142 ClCC(=O)N(COC(C)C)c1c(C)cccc1CC 19.890   
#143 CSc1nc(NCC)nc(NC(C)C)n1 20.110   
*144 CSc1nc(NCC)nc(NCC)n1 20.180   
*145 Brc1ccc(NC(=O)N(C)OC)cc1 20.070   
+146 Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H]1Cl 20.780   
*147 CCSc1nc(nc(NC(C)C)n1)NC(C)C 20.820   
*148 CCOc1cc(ccc1OCC)NC(=O)OC(C)C 21.430   
*149 CC(C)(SC(=O)N1CCCCC1)c2ccccc2 22.280   
*150 O=C2C[C@H](OC(=O)[C@@H]1[C@@H](/C=C(\C)C)C1(C)C)C(C)=C2CC=C 22.340   
+151 Clc2ccc(OS(=O)(=O)c1ccccc1)cc2 22.540   
*152 O=C(C(c1ccccc1)c2ccccc2)N(C)C 22.870   
#153 O=[N+]([O-])c1ccc(cc1Cl)OP(=S)(OC)OC 22.860   
#154 O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC#C 23.110   
*155 Clc2ccc(C(CCC)Cn1cncn1)c(Cl)c2 23.170   
#156 CCOP(=S)(OCC)SCC(=O)N(C)C(=O)OCC 23.460   
#157 FC(F)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl 23.350   
#158 Clc2cccc(F)c2CN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O 24.100   
#159 CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2 24.220   
-160 ClCC(=O)N(CCOCCC)c1c(cccc1CC)CC 24.670   
-161 O=C(OC)\C(=N\OC)c2ccccc2COc1ccccc1C 25.040   
*162 O[C@H](\C(=C/c1ccc(Cl)cc1)n2cncn2)C(C)(C)C 26.150   
#163 C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3 26.190   
-164 CCCc1cc2OCOc2cc1COCCOCCOCCCC 27.460   
-165 CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C 27.910   
+166 Fc3ccc(NC(=O)c2cccnc2Oc1cccc(c1)C(F)(F)F)c(F)c3 28.450   
#167 CC(C)(C)c1ccc(cc1)CCOc3ncnc2ccccc23 28.970   
*168 C/C(C)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C 29.080   
-169 O=C(OCC)NCCOc1ccc(cc1)Oc2ccccc2 29.570   
+170 CCC\C(=N\OCC)C1=C(O)CC(CC(C)SCC)CC1=O 29.630   
-171 Clc1ccc(cc1)N(C(C)C)C(=O)CSP(=S)(OC)OC 30.680   
-172 CN(c1ccccc1)C(=O)COc2nc3ccccc3s2 31.290   
*173 Cl\C(Cl)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C 31.570   
#174 CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C)=C(Cl)C2=O 31.860   
#175 Clc2cc(ccc2Oc1cc(C(=O)OCC(=O)OCC)c(cc1)[N+]([O-])=O)C(F)(F)F 32.010   
*176 CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3 32.010   
+177 Cl\C(Cl)=C/[C@@H]3[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C 33.350   
-178 Clc1ccc(cc1)Oc2ccc(c(Cl)c2)C4(Cn3ncnc3)OCC(C)O4 35.400   
-179 O=C4C=1CCCCC=1C(=O)N4c2cc3c(cc2F)OCC(=O)N3CC#C 35.500   
-180 O=C(OCCCCC)COc1cc(c(F)cc1Cl)N3C(=O)C=2CCCCC=2C3=O 36.340   
-181 CN(C)P(F)(=O)N(C)C 5.620    
+182 O=S(CCSP(=S)(OCC)OCC)CC 8.410    
+183 Clc1cc(Cl)c(Cl)c(Cl)c1Cl 11.110   
#184 CC(C)COP(=O)(OCC(C)C)OCC(C)C 11.650   
*185 Cc1cc(nc(Cl)n1)N(C)C 13.130   
+186 Cc1cc(OC(=O)NC)cc(C)c1Br 13.250   
-187 Clc1ccc(C[C@@H](Cl)C(=O)OC)cc1 13.570   
+188 S=P(Oc1cnccn1)(OCC)OCC 14.040   
#189 Nc1c(Cl)c(C)cc(Cl)c1Cl 14.220   
*190 CCCCOP(=O)(OCCCC)OCCCC 14.330   
*191 Clc1c(cc(Cl)c(Cl)c1Cl)OC 14.660   
+192 COP1(=S)Oc2ccccc2CO1 16.140   
-193 CNC(=O)N(C)c1nc2ccccc2s1 16.340   
#194 COc1nc(NCC)nc(NCC)n1 16.690   
#195 COc1nc(NCC)nc(NC(C)C)n1 16.700   
*196 ClC2(Cl)C1(Cl)CC(CBr)C2(Cl)C(Cl)=C1Cl 17.430   
#197 Clc1nc(NCC)nc(n1)N(CC)CC 17.530   
+198 CN(C)C(=O)NC1CCCCCCC1 17.950   
*199 O=C(N)c1c(Cl)cccc1Cl 17.930   
-200 Clc2ccc(Cl)cc2c1ccc(Cl)cc1 18.190   
+201 Nc1nc(NC(C)CC)nc(Cl)n1 18.320   
+202 Clc1c(N)cc(Cl)c(Cl)c1Cl 18.550   
*203 O=[N+]([O-])c1c(C)c(c(C)c(c1C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O 18.660   
*204 Clc1c(N)c(Cl)c(Cl)c(Cl)c1Cl 18.910   
*205 CSc1nc(/N=[N+]=[N-])nc(NC(C)C)n1 19.110   
*206 Clc1nc(NCC)nc(NC(C)CC)n1 19.260   
-207 Clc2ccc(Cl)cc2c1cc(Cl)ccc1Cl 19.480   
-208 O=C1NCCN1C(=O)NCC(C)C 19.240   
-210 O=S(C)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O 30.920   
+211 Cc1cc(ccc1S(=O)(C)=O)OP(=O)(NC(C)C)OCC 31.340   
-212 Clc1cccc(c1Cl)c2cncc2C#N 32.370   
+213 Clc4ccc(N1C(=O)c3cc(F)ccc3N=C1n2cncn2)c(Cl)c4 32.620   
+214 Clc3ccc(CCC(Cn1cncn1)(C#N)c2ccccc2)cc3 34.020   
-215 Cc1cc(OP(=S)(OCC)OCC)nc(n1)N(C)C 20.590   
+216 Oc1ccc(CC(C)NC)cc1 21.010   
+217 CC(C)(C)C1=NN=C(SC)N(/N=C/C(C)C)C1=O 21.060   
*218 O=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 21.290   
#219 O=[N+]([O-])c1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C 21.690   
+220 Cc3cc(C)nn3c1nc2ccccc2n1 21.730   
#221 CC(C)NP(=O)(OCC)Oc1ccccc1C(=O)OC(C)C 22.040   
*222 Cc2c(C)oc(C)c2C(=O)Nc1ccccc1 22.450   
*223 Clc2cc(c1cc(Cl)ccc1Cl)c(Cl)cc2Cl 22.620   
#224 Clc1cc(ccc1OP(=S)(OC)OC)[N+]([O-])=O 22.440   
+225 Clc1cc(C)c(OCC(=O)OCCOCCCC)cc1 22.610   
#226 S=P(N)(Oc1ccccc1C(=O)OC(C)C)OC 22.870   
-227 CCOP(=S)(OCC)SCS(=O)(=O)CC 23.150   
+228 OC(C)(c1ccc(Cl)cc1)c2ccc(Cl)cc2 23.290   
*229 CC(CC)c1cc(cc([N+]([O-])=O)c1OC(=O)OC(C)C)[N+]([O-])=O 23.880   
+230 CCCCSP(=O)(SCCCC)SCCCC 24.080   
-231 FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O 24.310   
#232 Clc1cc(Cl)ccc1C(/OP(=O)(OCC)OCC)=C\Br 24.620   
-233 ClC(Cl)C(c1ccc(CC)cc1)c2ccc(cc2)CC 24.810   
+234 CCOP(=S)(OCC)N2C(=O)c1ccccc1C2=O 24.820   
*235 Clc2cc(c1ccc(Cl)c(Cl)c1)c(Cl)cc2Cl 25.080   
#236 OC(Cn1cncn1)(c2ccccc2F)c3ccc(F)cc3 25.310   
*237 O=C1SC(=NN1CSP(=S)(OCC)OCC)OC 25.630   
-238 O=S(=O)(CCSP(=S)(OCC)OCC)CC 26.160   
+239 Clc1ccc(cc1)C2SC(=O)N(C2C)C(=O)NC3CCCCC3 26.480   
+240 Clc2ccc(c1cc(Cl)c(Cl)cc1Cl)c(Cl)c2Cl 26.840   
#241 O=C(OCc2cc(Cc1ccccc1)oc2)[C@@H]3[C@H](/C=C(\C)C)C3(C)C 27.260   
*242 OC(Cn1cncn1)(C(C)C2CC2)c3ccc(Cl)cc3 27.230   
#244 O=C(OCC#C)[C@@H](C)Oc1ccc(cc1)Oc2ncc(Cl)cc2F 27.740   
-245 Cc1cc(ccc1S(=O)C)OP(=S)(OC)OC 28.060   
+246 FC(F)(F)c1cc(ccc1)C(c2ccccc2)(c3ccccc3)n4cncn4 28.390   
-247 O=C(O)COc1nc(F)c(Cl)c(N)c1Cl 28.450   
-248 O=C1C(=NN=C(C)N1N)c2ccccc2 28.630   
+249 Clc1c(cc(Cl)c(Cl)c1Cl)c2cc(Cl)c(Cl)cc2Cl 29.050   
-251 Clc2c(C(=O)NCc1ccc(cc1)C(C)(C)C)n(C)nc2CC 29.320   
+252 O=C1C=3CCCC=3NC(=O)N1C2CCCCC2 29.700   
-253 [O-][N+](=O)c1cc2c(c(c1C)[N+]([O-])=O)C(C)(C)CC2(C)C 19.460   
*254 Clc1cc(OP(=O)(OC)OC)c(Cl)cc1Cl 19.720   
#256 [O-][N+](=O)c1ccc(OP(=O)(OC)OC)cc1 19.830   
+257 O=[N+]([O-])c1c(C)c(C)c(C)c(c1C(C)(C)C)[N+]([O-])=O 20.400   
*258 Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)C(/Cl)=C(/Cl)Cl 20.600   
-259 ClCC(=O)N(CC=C)CC=C 8.780    
-260 ClC(Cl)(Cl)c1nc(OCC)sn1 10.420   
*261 Clc1cc(C)c(/N=C/N(C)C)cc1 14.930   
*262 Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)[N+]([O-])=O 16.750   
#263 COc1nc(NCC)nc(N[C@H](C)CC)n1 18.360   
#264 O=C(Oc1cc(C)c(c(C)c1)N(C)C)NC 18.830   
+265 ClC3=C(Cl)[C@@]4(Cl)[C@@H]2[C@@H]([C@@H]1C[C@H]2C=C1)[C@]3(Cl)C4(Cl)Cl 19.670   
*266 Clc1cc(OP(=S)(OC)OC)c(Cl)cc1Cl 19.800   
+267 O=C1N(C(=O)OC1(C)C=C)c2cc(Cl)cc(Cl)c2 20.290   
*268 Clc1cc(Cl)c(Cl)nc1OP(=S)(OCC)OCC 20.960   
+269 Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H]1Cl 21.160   
#270 Cc1cc(ccc1SC)OP(=S)(OC)OC 21.530   
#271 [O-][N+](=O)c1ccc(OP(=O)(OCC)OCC)cc1 21.570   
-272 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2 22.220   
#273 S=P(Oc1ccc(cc1)[N+]([O-])=O)(OCC)OCC 22.320   
+274 [O-][N+](=O)c1c(C)c(C)cc([N+]([O-])=O)c1NC(CC)CC 22.590   
*275 Clc2ccc(SCc1ccc(Cl)cc1)cc2 22.960   
-276 CN(C)C(=O)SCCCCOc1ccccc1 23.790   
#277 CCN(CC)C(=O)C(C)Oc2cccc1ccccc12 24.840   
*278 Clc2cc(Sc1ccc(Cl)cc1)c(Cl)cc2Cl 25.850   
-279 CC(C)(C)c1ccc(OCC(C)OS(=O)OCCCl)cc1 25.600   
*280 CCNc1nc(C)c(CCCC)c(OS(=O)(=O)N(C)C)n1 26.250   
+281 O=C(Nc1ccccc1)C=2SCCOC=2C 26.230   
-282 Clc1ccc(cc1)C(C(Cl)Cl)c2ccc(Cl)cc2 26.590   
-283 CSc1ccc(OP(=S)(OCC)SCCC)cc1 26.870   
-284 Clc1ccc(c(Cl)c1)[C@]3(Cn2ncnc2)OC[C@@H](CC)O3 26.810   
*285 Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N 27.190   
-286 O=S(C)c1ccc(OP(=S)(OCC)OCC)cc1 27.940   
#287 CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12 28.700   
#288 Cl[C@@]53[C@@]1(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@]1(Cl)C(Cl)(Cl)[C@]5(Cl)[C@]2(Cl)[C@]3(Cl)C4(Cl)Cl~ 28.720   
*289 O=C2OCCN2N(C(=O)COC)c1c(C)cccc1C 29.500   
*290 C\C(C)=C/C3C(C(=O)OCN2C(=O)C=1CCCCC=1C2=O)C3(C)C 29.590   
#291 CCOP(=S)(OCC)OC=1C=CC(=O)N(N=1)c2ccccc2 30.170   
+292 COP(=S)(OC)SCN2C(=O)c1ccccc1C2=O 30.460   
+293 O=C(OCC)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC 31.600   
*294 Br\C(Br)=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C 35.770   
-295 CCCN(CCC)C(=O)SCC 8.540    
-296 N#Cc1c(Cl)cccc1Cl 9.750    
#297 O=P(OC)(OC)OC(/C)=C/C(=O)OC 11.230   
+298 ClC1=C(OP(=O)(OC)OC)[C@H]2CC=C[C@@H]12 13.780   
#299 CCCSP(=O)(SCCC)OCC 14.400   
*300 CC(C)N(C(=O)CCl)c1ccccc1 14.730   
*301 C=C(Cl)CSC(=S)N(CC)CC 15.750   
*302 COc1nc(NCC)nc(NC(C)(C)C)n1 17.200   
+303 CCCN(CC1CC1)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O 17.360   
*304 Clc1cc(NC(=O)O[C@H](C)C#C)ccc1 17.850   
*305 Clc1nc(NCC)nc(NC(C)(C)C)n1 18.070   
#306 CSc1nc(NCC)nc(NC(C)(C)C)n1 20.610   
*307 ClCC(=O)N(C(C)COC)c1c(C)cccc1CC 21.340   
*308 [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(C)C 22.100   
*309 ClC1=C(Cl)[C@]3(Cl)C(Cl)(Cl)[C@@]1(Cl)[C@@H]2CO[S+]([O-])OC[C@@H]23 23.100   
+310 Clc1ccc(NC(=O)CC)cc1Cl 22.680   
*311 S=P(Oc1ccccc1C(=O)OC(C)C)(NC(C)C)OCC 22.990   
*312 Clc1ccc(cc1)/C(=C(/Cl)Cl)c2ccc(Cl)cc2 23.920   
+313 ClCC(=O)N(COCCCC)c1c(cccc1CC)CC 23.820   
-314 Clc1cc(NC(=O)N(C)OC)ccc1Br 24.370   
+315 Clc2ccccc2C(C(Cl)Cl)c1ccc(Cl)cc1 24.940   
+316 ClC1=C(Cl)[C@@]2(Cl)C(Cl)(Cl)[C@]1(Cl)[C@H]3[C@@H]2[C@H]4C[C@@H]3[C@@H]5O[C@H]45 25.150   
-317 Clc2ccccc2C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl 25.560   
+318 Fc1ccc(cc1Cl)N(C(=O)c2ccccc2)[C@@H](C)C(=O)OC 25.900   
-319 CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2 28.230   
+320 S=P(OCC)(Oc1ccc(C#N)cc1)c2ccccc2 28.430   
#321 Clc2cc(OP(=S)(OC)c1ccccc1)c(Cl)cc2Br 30.190   
-322 S=P(OCC)(Oc1ccc(cc1)[N+]([O-])=O)c2ccccc2 30.060   
-323 CN(C)C2=NC(=O)N(C1CCCCC1)C(=O)N2C 30.140   
#324 CCOP(=S)(OCC)SCN1N=Nc2ccccc2C1=O 32.010   
-325 c1cc(ccc1)c2ccccc2 9.000    
+326 O=C(SCC)N1CCCCCC1 11.920   
-327 Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]1Cl 17.480   
*328 CCSCCSP(=S)(OCC)OCC 17.610   
*329 Clc1nc(NCC)nc(NC(C)C)n1 17.640   
-330 ClC2=C(Cl)C3(Cl)C1C=CC(Cl)C1C2(Cl)C3(Cl)Cl 18.490   
#331 O=C1C(=NN=C(SC)N1N)C(C)(C)C 20.330   
-332 COP(=S)(OC)SCC(=O)N(C)C=O 21.420   
#333 O=C2CC(OC(=O)[C@@H]1[C@@H](/C=C(\C)C)C1(C)C)C(C)=C2CC=C 22.290   
#334 Clc2ccccc2/C(=C(/Cl)Cl)c1ccc(Cl)cc1 22.640   
*335 O=C(OCCCC)C(C)Oc1ccc(cc1)Oc2ccc(cn2)C(F)(F)F 25.210   
#336 OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(=O)OCC 25.900   
+337 [O-][N+](=O)c1ccc(cc1)Oc2ccc(cc2[N+]([O-])=O)C(F)(F)F 26.590   
#338 OC(\C(=C/c1ccc(Cl)cc1Cl)n2cncn2)C(C)(C)C 27.030   
*339 CC(C)(C)c1ccc(cc1)OC2CCCCC2OS(=O)OCC#C 27.870   
+340 N#Cc3cncc3c1cccc2OC(F)(F)Oc12 28.930   
-341 Cc2ccc(/N=C/N(C)/C=N/c1ccc(C)cc1C)c(C)c2 30.290   
*342 CCOc1ccc(cc1)C(C)(C)COCc3cc(Oc2ccccc2)ccc3 32.750   
-343 CCC\C(=N\OCC)C=1C(=O)CC(CC=1O)C2CCCSC2 33.050   
+344 Clc1ccc(cc1)[C@H](C(C)C)C(=O)O[C@H](C#N)c3cccc(Oc2ccccc2)c3 34.650   
-345 Clc1c(OC)c(Cl)c(Cl)c(Cl)c1Cl 15.190   
+346 CC(C)(C)C(=O)N(Cc1ccccc1)C(C)C 15.300   
+348 Clc2cc(Cl)ccc2c1ccc(Cl)cc1 18.150   
#349 COc1c(cc(c(C)c1[N+]([O-])=O)[N+]([O-])=O)C(C)(C)C 18.620   
#350 CCCN(CCC)C(=O)SCc1ccccc1 19.510   
+351 Cc1csc(C)c1N(C(C)COC)C(=O)CCl 19.550   
#352 Clc1ccc(NC(=O)C(C)(C)CCC)cc1 20.020   
#353 ClC2=C(Cl)[C@@]3(Cl)C1C(C(Cl)OC1Cl)[C@]2(Cl)C3(Cl)Cl 20.550   
#354 Clc1cc(OP(=S)(CC)OCC)c(Cl)cc1Cl 21.100   
#355 Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl 21.250   
*356 Cc2cc(nc(Nc1ccccc1)n2)C3CC3 21.940   
-357 n1c3ccccc3nc1c2ccco2 22.100   
#358 ClC2=C(Cl)[C@@]3(Cl)[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1[C@]2(Cl)C3(Cl)Cl 23.620   
-359 O=C(c1ccc(Br)cc1)c2ccc(Br)cc2 25.300   
-360 CC1CS\C(=N/P(=O)(OCC)OCC)S1 25.290   
#361 Clc2cc(c1cc(Cl)c(Cl)cc1Cl)c(Cl)cc2Cl 25.640   
#362 OC(C(Cc1ccc(Cl)cc1Cl)n2cncn2)C(C)(C)C 25.950   
+363 O=P(N(C)C)(N(C)C)n1nc(nc1N)c2ccccc2 27.020   
*364 O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC 27.560   
-365 Cc1cc(ccc1S(=O)(C)=O)OP(=S)(OC)OC 28.550   
#366 O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3 28.650   
-367 BrC2CC(Cn1cncn1)(OC2)c3ccc(Cl)cc3Cl 29.900   
+368 Cc1cc(ccc1S(=O)C)OP(=O)(NC(C)C)OCC 31.030   
