0 B9R1.35 CN1C=NC([N+](=O)[O-])=C1 20444 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 CC1=CC(CO)=NN1 19867 [1,0,0,0,0,0|0,0,1]=2 2 B8R1.7 N1N=CC([N+](=O)[O-])=N1 20560 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.7 NC(=O)C1=CC=CO1 16899 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.7 O=C(O)C1=CN=CN1 21322 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.7 O=C(O)C1=CNN=C1 21414 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.7 O=C(O)C1=CSC=C1 1212 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.14 COC(=O)C1=CC(C)=NN1 16675 [0,1,0,0,0,0|0,0,2]=3 8 B10R1.14 COC(=O)C1=NNC(C)=C1 19851 [0,1,0,0,0,0|0,0,0]=1 9 B10R1.194 CC1=C(C)C(C(C)C)=NN1 16762 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.194 O=C(O)C1=CSC(Cl)=C1Cl 1211 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [0,0,0,0,0,1|2,0,0]=3 12 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [0,0,0,0,0,1|3,0,0]=4 13 B10R1.13 O=C(O)C1=CC=C(F)C=N1 100749 [0,0,0,0,0,1|2,0,0]=3 14 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [0,0,0,0,0,1|3,0,0]=4 15 B10R1.13 O=C(O)C1=CN=C(F)C=C1 100678 [0,0,0,0,0,1|2,0,1]=4 16 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 101615 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.113 O=C(O)C1=CC(F)=NC=C1 100685 [0,0,0,0,0,1|2,0,1]=4 18 B10R1.113 O=C(O)C1=CC(O)=CC=C1 18167 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.113 O=C(O)C1=CN=CC(F)=C1 100682 [0,0,0,0,0,1|2,0,0]=3 20 B7R0.5 CO\C=C(/C)C(=O)O 101484 [1,0,1,0,0,0|2,0,0]=4 21 B7R0.5 CO\C=C(\F)C(=O)O 102681 [1,0,1,0,0,0|2,0,0]=4 22 B7R0.6 CC(C)=CCC(=O)O 16792 [1,0,1,0,0,0|1,0,1]=4 23 B7R0.6 CC(C)\C=C\C(=O)O 16790 [1,0,1,0,0,0|1,0,1]=4 24 B7R0.6 O=C(O)\C=C\C(=O)O 20756 [1,0,1,0,0,0|2,0,0]=4 25 B7R1.2 CC1=CC(C)=NN1 16674 [2,0,0,0,0,0|0,0,1]=3 26 B7R1.2 CC1=CC(C)=NN1 22069 [2,0,0,0,0,0|0,0,1]=3 27 B7R1.2 CC1=CC(C)=NN1 537 [2,0,0,0,0,0|0,0,1]=3 28 B9R1.23 CC1=CC(CO)=NN1C 19863 [1,1,0,0,0,0|0,0,1]=3 29 B9R1.132 CCC1=NNC(C)=C1C 16754 [1,1,0,0,0,0|1,0,1]=4 30 B9R1.11 COC(=O)C1=CSN=N1 10109 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.21 O=C(O)C1=CC=C(Cl)C(F)=N1 100669 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 100748 [0,1,0,0,0,1|2,0,0]=4 33 B11R1.21 O=C(O)C1=CC=C(F)C(F)=N1 100666 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 102172 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 15222 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 100668 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=N1 100667 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl 100084 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 17345 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.74 O=C(O)C1=CC(F)=CC(F)=N1 100663 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.159 CC1=CC=CC(C(=O)O)=C1F 102174 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CN=C1 100060 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=N1 100672 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.159 O=C(O)C1=CN=CC(F)=C1Cl 100680 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl 100083 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.167 CC1=CC=C(C)C(C(=O)O)=C1 16548 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.167 CC1=CC=C(F)C(C(=O)O)=C1 102177 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.167 O=C(O)C1=C(F)N=CC(F)=C1 100662 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.266 COC1=CC=CC(C(=O)O)=C1 18168 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 21793 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.15 CCOC(=O)C1=CC(C)=NN1 16715 [0,2,0,0,0,0|0,0,2]=4 52 B11R1.15 CCOC(=O)C1=NNC(C)=C1 19853 [0,2,0,0,0,0|0,0,0]=2 53 B11R1.226 COC(=O)C1=NN(C)C(C)=C1 19858 [0,2,0,0,0,0|0,0,0]=2 54 B11R1.124 CCCC1=NNC(C(=O)O)=C1 18651 [0,2,0,0,0,0|0,0,2]=4