0 B8R1.8 CCCN1C=NC=N1 CS-0873827 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.8 ClCCC1=CNN=C1 CS-0452522 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 NCCC1=COC=C1 CS-0434640 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.8 OCCC1=CSC=N1 CS-0243481 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.8 OCCC1=NNC=C1 CS-0012680 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 C#CC1=CN=CN1 CS-0197563 [1,0,0,0,0,0|0,0,2]=3 6 B7R1.1 C#CC1=CN=CS1 CS-0528673 [1,0,0,0,0,0|1,0,2]=4 7 B7R1.1 C#CC1=CN=CS1 CS-0614968 [1,0,0,0,0,0|1,0,2]=4 8 B7R1.1 C#CC1=CN=NN1 CS-0611682 [1,0,0,0,0,0|1,0,2]=4 9 B7R1.1 CCC1=CSC=C1 CS-0152496 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.1 NCC1=CN=CS1 CS-0053667 [1,0,0,0,0,0|1,0,0]=2 11 B7R1.1 NCC1=NC=CO1 CS-0565274 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.1 OCC1=CON=C1 CS-W000734 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.7 CC1=CN=C(CCN)O1 CS-0551075 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.7 N#CCC1=CN=C(Cl)S1 CS-0045067 [0,1,0,0,0,0|1,0,2]=4 15 B9R1.7 NCCC1=CN=C(Br)N1 CS-0909570 [0,1,0,0,0,0|0,0,0]=1 16 B9R1.7 OCCC1=CSC(Cl)=C1 CS-0434751 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.12 NCC#CC1=CC=CS1 CS-0647758 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.12 NCCCN1C=CC=N1 CS-0322344 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.12 OCCCC1=CSC=C1 CS-0159398 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.13 C[C@@H](N)CC1=CN=CN1 CS-W015657 [0,1,0,0,0,0|0,0,0]=1 21 B9R1.13 O=C(O)CC1=CN=NN1 CS-0462526 [0,1,0,0,0,0|2,0,1]=4 22 B9R2.3 C1=NC2=C(CCC2)N1 CS-0603013 [0,0,0,1,0,0|1,0,0]=2 23 B9R1.8 CNCC1=CC=NN=C1 CS-0184080 [0,0,0,0,0,1|3,0,0]=4 24 B9R1.8 NNCC1=CC=CN=C1 CS-W021776 [0,0,0,0,0,1|2,0,0]=3 25 B9R1.8 OCCC1=CC=NC=N1 CS-0054938 [0,0,0,0,0,1|1,0,1]=3 26 B6R1.2 CC1=CN=CO1 CS-0139221 [2,0,0,0,0,0|1,0,0]=3 27 B6R1.2 CC1=CNC=C1 CS-W016682 [2,0,0,0,0,0|1,0,1]=4 28 B6R1.2 NC1=CN=CS1 CS-0054157 [2,0,0,0,0,0|1,0,0]=3 29 B6R1.2 NC1=CSN=C1 CS-0040497 [2,0,0,0,0,0|2,0,0]=4 30 B6R1.2 NC1=NC=CN1 CS-0511688 [2,0,0,0,0,0|2,0,0]=4 31 B6R1.2 NC1=NC=CN1 CS-W018619 [2,0,0,0,0,0|2,0,0]=4 32 B6R1.2 NC1=NN=CO1 CS-0072489 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.1 CC1=NN=C(CN)S1 CS-0323292 [1,1,0,0,0,0|2,0,0]=4 34 B8R1.1 CCC1=CN=C(N)S1 CS-WAA0157 [1,1,0,0,0,0|1,0,0]=3 35 B8R1.1 NCC1=CC=C(Br)S1 CS-W000781 [1,1,0,0,0,0|2,0,0]=4 36 B8R1.1 NCC1=NN=C(N)O1 CS-0646735 [1,1,0,0,0,0|2,0,0]=4 37 B8R1.1 O=CC1=CN=C(Cl)N1 CS-0626324 [1,1,0,0,0,0|1,0,1]=4 38 B8R1.7 CC(=O)C1=CN=CO1 CS-0308800 [1,1,0,0,0,0|1,0,1]=4 39 B8R1.7 CC(C)C1=NC=NN1 CS-0649572 [1,1,0,0,0,0|1,0,1]=4 40 B8R1.7 C[C@H](N)C1=NC=CN1 CS-0608600 [1,1,0,0,0,0|2,0,0]=4 41 B8R1.11 CC1=C(CO)SC=N1 CS-0033794 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.11 CCN1C=CN=C1Cl CS-0467345 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.11 CN1C=CN=C1CN CS-0030791 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.11 NCC1=C(Br)C=CS1 CS-0054645 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.1 NCCC1=CN=C(Cl)C=C1 CS-0453416 [0,1,0,0,0,1|1,0,0]=3 46 B10R1.4 CC1=C(CCO)C=CN=C1 CS-0634162 [0,1,0,0,0,1|2,0,0]=4 47 B10R1.10 CC1=CN=CC(CCN)=N1 CS-0675594 [0,1,0,0,0,1|0,0,1]=3 48 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 CS-0135378 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.15 OC(CBr)C1=NC=CN=C1 CS-0651813 [0,1,0,0,0,1|1,0,1]=4 50 B10R1.17 NCCOC1=NC=CC=N1 CS-0615673 [0,1,0,0,0,1|1,0,1]=4 51 B10R1.54 CC(C)CC1=CN=C(N)S1 CS-0231445 [0,2,0,0,0,0|2,0,0]=4 52 B10R1.130 CC1=C(CCN)SC(N)=N1 CS-0020778 [0,2,0,0,0,0|1,0,0]=3 53 B10R1.130 CC1=NC(C)=C(CCO)S1 CS-0568706 [0,2,0,0,0,0|2,0,0]=4 54 B10R1.27 NC(CO)CC1=CC=CS1 CS-0646863 [0,2,0,0,0,0|2,0,0]=4 55 B10R1.27 N[C@@H](CO)CC1=CNC=N1 CS-W014950 [0,2,0,0,0,0|0,0,2]=4 56 B10R1.29 CC1=CN=CN1CCCN CS-0356352 [0,2,0,0,0,0|2,0,0]=4 57 B10R1.29 CN1C=NC=C1C#CCN CS-0835949 [0,2,0,0,0,0|0,0,1]=3 58 B10R1.29 CN1C=NC=C1C#CCN CS-0867938 [0,2,0,0,0,0|0,0,1]=3 59 B10R1.29 CN1C=NC=C1CCCN CS-0835941 [0,2,0,0,0,0|0,0,0]=2 60 B10R2.7 C1=CN=C2NCCC2=N1 CS-0499940 [0,0,0,1,0,1|0,0,1]=3 61 B10R2.2 BrC1=NC2=C(CCC2)S1 CS-0076396 [0,1,0,1,0,0|2,0,0]=4 62 B10R2.14 NC1=NC=C(C2CC2)S1 CS-0054987 [0,1,0,1,0,0|2,0,0]=4 63 B10R2.14 NC1=NC=C(C2CC2)S1 CS-WAA0325 [0,1,0,1,0,0|2,0,0]=4