0 B8R1.8 NCCC1=NNN=N1 CS-0084219 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.8 NCCN1C=CN=C1 CS-W005094 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.8 NCCN1N=CC=N1 CS-0079987 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.8 OCCC1=CC=CO1 CS-0047160 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 OCCC1=CNN=C1 CS-W004817 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 OCCC1=NNC=C1 CS-0012680 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.8 OCCN1C=CN=N1 CS-0095270 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.1 BrCC1=CC=NO1 CS-D0211 [1,0,0,0,0,0|3,0,0]=4 8 B7R1.1 ClCC1=CSC=N1 CS-W010784 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.1 N#CC1=CC=CN1 CS-D0926 [1,0,0,0,0,0|1,0,2]=4 10 B7R1.1 NCC1=CN=CO1 CS-0054595 [1,0,0,0,0,0|1,0,0]=2 11 B7R1.1 NCC1=CN=CO1 CS-W018747 [1,0,0,0,0,0|1,0,0]=2 12 B7R1.1 NCC1=CN=NN1 CS-0040886 [1,0,0,0,0,0|1,0,0]=2 13 B7R1.1 NCC1=CNN=N1 CS-B1020 [1,0,0,0,0,0|1,0,2]=4 14 B7R1.1 NCC1=CSC=N1 CS-0038080 [1,0,0,0,0,0|1,0,1]=3 15 B7R1.1 NCC1=NN=CS1 CS-WAA0245 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.1 O=CC1=CC=CN1 CS-D0925 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.1 O=CC1=CN=CS1 CS-D0828 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.1 OCC1=CN=CN1 CS-W013364 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.7 CN1C=C(CNN)C=N1 CS-0079917 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.11 NCC(O)C1=CC=CO1 CS-0038432 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.33 CN1C=CN=C1CNN CS-0035680 [0,1,0,0,0,0|3,0,0]=4 22 B9R2.2 C1=NC=C(C2CC2)N1 CS-W000144 [0,0,0,1,0,0|1,0,0]=2 23 B9R2.3 C1=CN2CCCC2=N1 CS-0100195 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.8 CCCC1=CC=CC=C1 CS-0035165 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.8 NNCC1=CC=CN=C1 CS-W021776 [0,0,0,0,0,1|2,0,0]=3 26 B6R1.2 BrC1=CN=NN1 CS-0038639 [2,0,0,0,0,0|2,0,0]=4 27 B6R1.2 CC1=CN=CS1 CS-W007489 [2,0,0,0,0,0|1,0,0]=3 28 B6R1.2 ClC1=CN=CN1 CS-W018584 [2,0,0,0,0,0|1,0,0]=3 29 B6R1.2 NC1=CC=NO1 CS-W005361 [2,0,0,0,0,0|2,0,0]=4 30 B6R1.2 NC1=CSC=C1 CS-D0258 [2,0,0,0,0,0|2,0,0]=4 31 B6R1.2 NC1=NC=NS1 CS-0037734 [2,0,0,0,0,0|1,0,1]=4 32 B8R1.1 CC1=CC=C(CN)S1 CS-0036528 [1,1,0,0,0,0|2,0,0]=4 33 B8R1.1 CCC1=CN=C(N)S1 CS-W022373 [1,1,0,0,0,0|1,0,0]=3 34 B8R1.1 CCC1=CN=C(N)S1 CS-WAA0157 [1,1,0,0,0,0|1,0,0]=3 35 B8R1.1 OCC1=CN=C(Br)S1 CS-W008914 [1,1,0,0,0,0|2,0,0]=4 36 B8R1.1 OCC1=CN=C(Cl)S1 CS-0067979 [1,1,0,0,0,0|2,0,0]=4 37 B8R1.7 CC(N)C1=CN=CN1 CS-0062144 [1,1,0,0,0,0|0,0,0]=2 38 B8R1.7 CC(O)C1=CN=CN1 CS-0036021 [1,1,0,0,0,0|0,0,0]=2 39 B8R1.7 C[C@H](N)C1=CC=CS1 CS-0106541 [1,1,0,0,0,0|2,0,0]=4 40 B8R1.7 O=C(O)C1=CN=CN1 CS-W007695 [1,1,0,0,0,0|1,0,1]=4 41 B8R1.11 CN1C=NN=C1CO CS-0097709 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.11 CN1N=CC=C1CN CS-0046966 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.11 NCC1=C(Cl)C=CS1 CS-0053372 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.1 NCCC1=CC=C(Br)C=C1 CS-W009109 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 CS-0028334 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.130 CC1=NN(CCN)C(C)=N1 CS-0080034 [0,2,0,0,0,0|1,0,1]=4 47 B10R1.66 O=C(O)CCC1=CC=CN1 CS-W021754 [0,2,0,0,0,0|2,0,0]=4 48 B8R1.2 NCC1=CC=NC=C1 CS-W005997 [0,0,1,1,0,0|1,0,1]=4 49 B8R1.2 NCC1=NC=NC=C1 CS-W018555 [0,0,1,1,0,0|0,0,2]=4 50 B10R2.7 C1=CN=C2NCCC2=C1 CS-B0149 [0,0,0,1,0,1|1,0,0]=3 51 B10R2.14 NC1=NC=C(C2CC2)S1 CS-0054987 [0,1,0,1,0,0|2,0,0]=4 52 B10R2.14 NC1=NC=C(C2CC2)S1 CS-WAA0325 [0,1,0,1,0,0|2,0,0]=4 53 B10R2.32 O=C1CCN2C=NC=C12 CS-M2222 [0,1,0,1,0,0|1,0,1]=4