0 B13R1.450 CCOC(=O)C1=CC(Br)=CC(I)=C1 18881 [0,0,0,0,0,0|1,2,0]=3 1 B13R1.450 CCOC(=O)C1=CC(N)=CC(N)=C1 17458 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.450 N#CCC(=O)C1=CC(Cl)=CC(Cl)=C1 25036 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.17 CCOC(=O)C1=CC(=O)NC=N1 24066 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 27571 [1,0,0,0,0,0|2,1,0]=4 5 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 28790 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.17 CCOC(=O)C1=CC=CC(Br)=C1 27361 [1,0,0,0,0,0|1,1,0]=3 7 B12R1.358 COC(=O)C1=CC(Br)=CC(Br)=C1 27874 [1,0,0,0,0,0|1,2,0]=4 8 B12R1.358 COC(=O)C1=CC(C)=NC(Cl)=N1 24912 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 25554 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.358 COC(=O)C1=CC(O)=NC(C)=C1 26412 [1,0,0,0,0,0|2,0,0]=3 11 B14R1.6821 CCOC(=O)C1=CC(Br)=C(N)C(I)=C1 18968 [0,1,0,0,0,0|1,2,0]=4 12 B14R1.6821 CCOC(=O)C1=CC(O)=C(O)C(O)=C1 31501 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.313 CCOC(=O)C1=C(C)N=C(Br)S1 24705 [0,0,0,0,1,0|2,1,0]=4 14 B12R1.313 CCOC(=O)C1=C(C)N=C(C)S1 30840 [0,0,0,0,1,0|3,0,0]=4 15 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 25675 [0,0,0,0,1,0|3,0,0]=4 16 B12R1.313 CCOC(=O)C1=C(C)OC(C)=C1 19385 [0,0,0,0,1,0|3,0,0]=4 17 B12R1.313 CCOC(=O)C1=C(Cl)SC(Br)=N1 26265 [0,0,0,0,1,0|2,1,0]=4 18 B12R1.313 CCOC(=O)C1=CC(C)=NN1C 31266 [0,0,0,0,1,0|3,0,0]=4 19 B11R1.16 CCOC(=N)C1=CC=NC=C1 26199 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.16 CCOC(=O)C1=CC=CN=C1 27050 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.16 CCOC(=O)C1=CC=NC=C1 27059 [2,0,0,0,0,0|0,0,0]=2 22 B11R1.16 CCOC(=O)C1=NC=CC=C1 27024 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.16 O=C(OCCl)C1=CC=CC=C1 19364 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 27232 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.23 COC(=O)C1=CC(N)=NC=C1 28826 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.23 COC(=O)C1=CC=CC(Cl)=N1 28103 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.34 CCNC1=CC(Cl)=CC(Cl)=C1 18260 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 27644 [2,0,0,0,0,0|1,0,0]=3 29 B11R1.74 CC1=CC(C(=O)Cl)=CC(Cl)=N1 25714 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 25692 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 25553 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.74 O=C(O)C1=CC(O)=CC(Cl)=C1 18890 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.74 O=[N+]([O-])C1=CC(Cl)=NC(Cl)=C1 28901 [2,0,0,0,0,0|1,0,1]=4 34 B13R1.460 CCOC(=O)C1=CC(CN)=NC=C1 23881 [1,1,0,0,0,0|1,0,0]=3 35 B13R1.466 CCOC(=O)C1=CC(C)=C(Br)C=C1 28379 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.466 CCOC(=O)C1=CC=C(N)C(Br)=C1 18054 [1,1,0,0,0,0|1,1,0]=4 37 B13R1.466 CCOC(=O)C1=CC=C(N)C(C)=C1 28785 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.162 O=C1CCCC2=C1C=C(Cl)C=C2 28575 [1,0,0,1,0,0|2,0,0]=4 39 B13R2.342 O=C1CCCC2=C(Cl)C=CC=C12 30821 [1,0,0,1,0,0|2,0,0]=4 40 B13R2.342 O=C1NCCC2=C1C=CC=C2Cl 20395 [1,0,0,1,0,0|2,0,0]=4 41 B11R1.15 CCOC(=O)C1=CC(C)=NN1 26076 [1,0,0,0,1,0|2,0,0]=4 42 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 31450 [1,0,0,0,1,0|1,1,0]=4 43 B11R1.15 CCOC(=O)C1=CN=C(N)S1 24994 [1,0,0,0,1,0|2,0,0]=4 44 B11R1.15 CCOC(=O)C1=COC(Cl)=N1 24730 [1,0,0,0,1,0|2,0,0]=4 45 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 24742 [1,0,0,0,1,0|2,0,0]=4 46 B11R1.199 CCOC(=O)C1=C(C)N=CS1 28940 [1,0,0,0,1,0|2,0,0]=4 47 B11R1.199 CCOC(=O)C1=C(C)NC=C1 27907 [1,0,0,0,1,0|1,0,1]=4 48 B11R1.199 CCOC(=O)C1=CNN=C1N 25900 [1,0,0,0,1,0|2,0,0]=4 49 B11R1.199 CCOC(=O)C1=CON=C1C 17527 [1,0,0,0,1,0|2,0,0]=4 50 B13R1.20 CCOC(=O)CC1=CC(O)=CC=C1 29024 [1,0,0,0,0,1|2,0,0]=4 51 B13R1.1511 CCCC(=O)C1=CC=C(Cl)C=C1Cl 29140 [0,0,0,0,1,1|2,0,0]=4 52 B13R1.1511 CCOC(=O)C1=C(C)N=C(Cl)N=C1 26166 [0,0,0,0,1,1|1,0,0]=3 53 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(Cl)N=C1 23271 [0,0,0,0,1,1|1,0,0]=3 54 B13R1.1511 CCOC(=O)C1=C(N)N=C(N)N=C1 20688 [0,0,0,0,1,1|2,0,0]=4 55 B13R1.1511 CCOC(=O)C1=CC=C(C)N=C1C 18666 [0,0,0,0,1,1|2,0,0]=4 56 B13R1.1511 CCOC(=O)C1=CN=C(N)N=C1C 25869 [0,0,0,0,1,1|2,0,0]=4 57 B13R1.1511 CCOC(=O)C1=CN=C(S)N=C1N 25868 [0,0,0,0,1,1|2,0,0]=4