0 B8R1.8 C1=C(NC=N1)CCN 8849 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.8 C1=CSC(=C1)CC#N 6135 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.1 C1=C(N=CS1)CCl 8519 [1,0,0,0,0,0|2,0,1]=4 3 B7R1.1 C1=CSC(=C1)CN 6832 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.1 CCN1C=CC=N1 8885 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.1 c1cc(oc1)CN F0590 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.1 o1c(ccc1)CN F0591 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.11 COC(=O)C1=CN=CN1 10237 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.12 CCCCN1C=CN=C1 8844 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [0,0,0,0,0,1|3,0,0]=4 10 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [0,0,0,0,0,1|3,0,0]=4 11 B9R1.8 C1=CC=C(C=C1)CON 10183 [0,0,0,0,0,1|3,0,0]=4 12 B9R1.8 C1=CC=NC(=C1)CCN 5251 [0,0,0,0,0,1|1,0,1]=3 13 B9R1.8 C1=CC=NC(=C1)CCO 9142 [0,0,0,0,0,1|2,0,1]=4 14 B9R1.8 CCCC1=CC=NC=C1 8669 [0,0,0,0,0,1|2,0,0]=3 15 B9R1.8 c1cnccc1CCN A0195 [0,0,0,0,0,1|1,0,0]=2 16 B9R1.8 c1cnccc1CCN P0148 [0,0,0,0,0,1|1,0,0]=2 17 B6R1.2 C1=C(NC=N1)Br 10481 [2,0,0,0,0,0|1,0,0]=3 18 B6R1.2 C1=C(NN=C1)N 5250 [2,0,0,0,0,0|2,0,0]=4 19 B6R1.2 C1=NN=C(S1)N 5215 [2,0,0,0,0,0|2,0,0]=4 20 B6R1.2 CC1=CC=CS1 8742 [2,0,0,0,0,0|2,0,0]=4 21 B6R1.2 CC1=CC=NN1 8083 [2,0,0,0,0,0|2,0,0]=4 22 B6R1.2 CC1=CN=CN1 9563 [2,0,0,0,0,0|0,0,0]=2 23 B6R1.2 CC1=CSC=N1 8929 [2,0,0,0,0,0|1,0,1]=4 24 B6R1.2 CN1C=NC=N1 8972 [2,0,0,0,0,0|1,0,1]=4 25 B6R1.2 Cc1cccs1 M0049 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.1 C1=C(SC(=N1)Cl)CCl 9706 [1,1,0,0,0,0|2,0,0]=4 27 B8R1.1 CCC1=NN=C(S1)N 10132 [1,1,0,0,0,0|2,0,0]=4 28 B8R1.7 C1=C(NC=N1)C(=O)O 6466 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [0,1,0,0,0,1|2,0,0]=4 30 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [0,1,0,0,0,1|2,0,0]=4 31 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [0,1,0,0,0,1|2,0,0]=4 32 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [0,1,0,0,0,1|2,0,0]=4 33 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [0,1,0,0,0,1|2,0,0]=4 34 B10R1.10 C1=CC(=CC(=C1)Br)CCN 8847 [0,1,0,0,0,1|2,0,0]=4 35 B10R1.10 C1=CC(=CC(=C1)Cl)CCN 8166 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [0,1,0,0,0,1|2,0,0]=4 37 B10R1.17 CCNCC1=CC=NC=C1 8861 [0,1,0,0,0,1|2,0,0]=4 38 B10R1.17 CNCCC1=CC=CC=N1 10522 [0,1,0,0,0,1|1,0,1]=4 39 B10R1.17 CNCCC1=CC=CC=N1 6724 [0,1,0,0,0,1|1,0,1]=4 40 B10R1.11 CCOC(=O)C1=CN=CN1 9361 [0,2,0,0,0,0|1,0,1]=4 41 B8R1.2 C1=CC(=CN=C1)CN 10146 [0,0,1,1,0,0|1,0,1]=4 42 B8R1.5 C1=CC(=C(N=C1)N)N 9712 [0,0,1,1,0,0|0,0,2]=4