0 B14R2.203 COC1=C(C)C=CC2=CC=CC=C21 BB31-2653 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.203 COC1=C(N)C=CC2=NC=CC=C21 BB32-2914 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.203 O=CC1=C(Cl)N=CC2=CC=CC=C21 BB31-9278 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.32 CC1=C(Br)C=CC2=CC=CC=C21 BB31-3846 [1,0,0,0,0,0|1,0,0]=2 4 B13R2.32 CC1=C(Cl)C2=CC=CC=C2N=C1 BB31-5917 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.32 CC1=C(O)C=CC2=CC=CC=C21 BB31-8753 [1,0,0,0,0,0|0,0,0]=1 6 B13R2.32 CC1=CC=C2C=CC=NC2=C1N BB32-2470 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.32 FC1=C(Br)C2=CC=NC=C2C=C1 BB31-0998 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.32 FC1=C(Br)C2=NC=CC=C2C=C1 BB31-2748 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.32 NC1=C(Br)C2=CC=NC=C2C=C1 BB32-3276 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.32 NC1=C(Cl)C2=CC=NC=C2C=C1 BB32-3292 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.32 NC1=C(Cl)C2=NC=CC=C2C=C1 BB31-2108 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.32 NC1=C(Cl)N=CC2=CC=CC=C21 BB32-1294 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.32 NC1=C(F)C2=CC=CC=C2C=C1 BB31-2550 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.32 NC1=C(N)C2=CC=CC=C2N=C1 BB31-6522 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.32 OC1=C(Cl)C=CC2=CC=CN=C21 BB31-6071 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.32 OC1=C(Cl)N=CC2=CC=CC=C21 BB31-0238 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.32 OC1=C(F)C=CC2=CC=CN=C21 BB32-1899 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.32 OC1=C(O)C2=CC=CC=C2C=C1 BB31-5482 [1,0,0,0,0,0|1,0,0]=2 19 B13R2.1613 BrCC1=CC=NC2=CC=CC=C12 BB31-7174 [1,0,0,0,0,0|2,0,0]=3 20 B13R2.1613 BrCC1=NC=CC2=CC=CC=C21 BB32-1324 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.1613 C#CC1=C2C=NC=CC2=CC=C1 BB31-9587 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.1613 C#CC1=CC=NC2=CC=CC=C12 BB32-3228 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.1613 COC1=CC=CC2=CC=NC=C21 BB32-0325 [1,0,0,0,0,0|3,0,0]=4 24 B13R2.1613 NCC1=CC=NC2=CC=CC=C12 BB31-5009 [1,0,0,0,0,0|1,0,0]=2 25 B13R2.1613 NCC1=NC=CC2=CC=CC=C21 BB31-5121 [1,0,0,0,0,0|1,0,0]=2 26 B13R2.1613 O=CC1=NC=CC2=CC=CC=C21 BB31-7698 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.1613 OCC1=CC=CC2=CN=CC=C21 BB31-6908 [1,0,0,0,0,0|2,0,0]=3 28 B13R2.1613 OCC1=CC=NC2=CC=CC=C12 BB32-3313 [1,0,0,0,0,0|2,0,0]=3 29 B15R2.2115 COC1=C(C=O)C=CC2=CC=CC=C21 BB32-2552 [0,1,0,0,0,0|2,0,1]=4 30 B15R2.2115 COC1=C(CO)C=CC2=CC=CC=C21 BB31-5532 [0,1,0,0,0,0|2,0,0]=3 31 B15R2.2115 N#CC1=C(C#N)C2=CC=CC=C2C=C1 BB31-5483 [0,1,0,0,0,0|1,0,2]=4 32 B15R2.6124 COC1=C(Br)C=C(Br)C2=CC=CC=C21 BB31-4500 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 BB31-2435 [1,0,1,0,0,0|1,0,1]=4 34 B12R2.24 FC1=CC2=CC=CC=C2N=C1 BB32-1722 [2,0,0,0,0,0|2,0,0]=4 35 B12R2.24 FC1=NC2=CC=CC=C2C=C1 BB31-4902 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.24 IC1=CC2=CC=CC=C2N=C1 BB31-6878 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.24 IC1=CC2=CC=NC=C2C=C1 BB31-7186 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.24 NC1=CC2=CC=CC=C2N=C1 BB52-6146 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.1081 CC1=NC=NC2=CC=CC=C21 BB31-7295 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.1081 FC1=CC=CC2=CC=NC=C12 BB31-8759 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.1081 FC1=CC=NC2=CC=CC=C12 BB31-4712 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 BB52-4676 [2,0,0,0,0,0|1,0,0]=3 43 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 BB52-4677 [2,0,0,0,0,0|1,0,0]=3 44 B12R2.1081 NC1=C2N=CC=NC2=CC=C1 BB31-3298 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.1081 NC1=C2N=CN=CC2=CC=C1 BB31-0196 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.1081 NC1=CN=NC2=CC=CC=C12 BB52-7716 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.1081 NC1=NC=CC2=CC=NC=C21 BB32-1124 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.1081 NC1=NC=CC2=NC=CC=C12 BB32-2371 [2,0,0,0,0,0|2,0,0]=4 49 B14R2.92 COC1=C(N)C2=CC=CC=C2C=C1 BB31-8125 [1,1,0,0,0,0|0,0,0]=2 50 B14R2.92 NC1=C(C=O)C=CC2=CC=CN=C21 BB31-3069 [1,1,0,0,0,0|1,0,1]=4 51 B14R2.7724 CN1C(=O)C=C(Br)C2=C1C=CC=C2 BB31-7128 [1,1,0,0,0,0|1,0,1]=4 52 B14R2.7724 NC1=C(Br)C=C(Br)C2=CC=CN=C21 BB32-2097 [1,1,0,0,0,0|2,0,0]=4 53 B14R2.7724 NC1=CC(=O)C2=C(C=CC=C2)C1=O BB31-4237 [1,1,0,0,0,0|2,0,0]=4 54 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(Br)=C2 BB31-3337 [1,1,0,0,0,0|1,0,1]=4 55 B14R2.29369 OC1=CC=C2C=C(Br)C=CC2=C1F BB32-2847 [1,1,0,0,0,0|1,0,0]=3 56 B14R2.1078 N#CC1=CC=CC2=C(N)C=CC=C12 BB31-7054 [1,1,0,0,0,0|0,0,2]=4 57 B14R2.1078 O=CC1=C2C=CC=C(F)C2=CC=C1 BB31-8421 [1,1,0,0,0,0|1,0,1]=4 58 B14R2.1131 CC1=CC=C(C=O)C2=CC=CC=C12 BB31-5946 [1,1,0,0,0,0|1,0,1]=4 59 B14R2.1131 N#CC1=CC=C(N)C2=CC=CC=C12 BB31-5889 [1,1,0,0,0,0|0,0,2]=4 60 B14R2.1131 NCC1=CC=C(O)C2=NC=CC=C12 BB31-6863 [1,1,0,0,0,0|1,0,0]=3 61 B14R2.1131 O=CC1=CC=C(Cl)C2=CC=CC=C12 BB32-2851 [1,1,0,0,0,0|1,0,1]=4 62 B14R2.1146 CC1=NC2=CC=CC=C2C(CO)=C1 BB32-2465 [1,1,0,0,0,0|2,0,0]=4 63 B14R2.1146 O=CC1=CC(O)=CC2=CC=CC=C21 BB31-5795 [1,1,0,0,0,0|1,0,1]=4 64 B14R2.7150 BrCCC1=CC=CC2=CC=CC=C21 BB31-2036 [1,1,0,0,0,0|1,0,0]=3 65 B14R2.7150 N#CCC1=CC=NC2=CC=CC=C12 BB31-2476 [1,1,0,0,0,0|1,0,1]=4 66 B14R2.11684 N#CC1=C2C=C(O)C=CC2=CC=C1 BB32-0437 [1,1,0,0,0,0|0,0,2]=4 67 B14R2.31359 C[C@@H](O)C1=CC=CC2=CC=CC=C21 BB31-5406 [1,1,0,0,0,0|1,0,0]=3 68 B14R2.31359 NC(=O)C1=CC=CC2=CC=CN=C21 BB32-2363 [1,1,0,0,0,0|1,0,1]=4 69 B14R2.31359 NC(=O)C1=CN=CC2=CC=CC=C21 BB31-7009 [1,1,0,0,0,0|1,0,1]=4 70 B16R2.2073 COC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1 BB32-2893 [0,2,0,0,0,0|2,0,0]=4 71 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 BB31-3961 [0,0,1,1,0,0|1,0,1]=4 72 B16R3.335 NC1=NC2=C(S1)C3=CC=CC=C3C=C2 BB52-5579 [0,1,0,1,0,0|1,0,1]=4 73 B16R3.335 NC1=NC2=C3C=CC=CC3=CC=C2S1 BB52-5395 [0,1,0,1,0,0|0,1,1]=4 74 B12R2.18 CC1=C(C)C2=C(C=CC=C2)O1 BB32-1322 [1,0,0,0,1,0|2,0,0]=4 75 B12R2.1 CCC1=CNC2=C1C=CC=C2 BB31-2843 [1,0,0,0,1,0|2,0,0]=4 76 B12R2.1 CCN1C=CC2=C1C=CC=C2 BB31-8973 [1,0,0,0,1,0|2,0,0]=4 77 B12R2.1 NCC1=CN=C2C=CC=CN12 BB52-6179 [1,0,0,0,1,0|2,0,0]=4 78 B12R2.1 NCC1=CSC2=C1C=CC=C2 BB31-5728 [1,0,0,0,1,0|1,0,0]=3 79 B12R2.315 CCC1=C2NC=CC2=CC=C1 BB31-6072 [1,0,0,0,1,0|2,0,0]=4 80 B12R2.315 NCC1=C2C=CNC2=NC=C1 BB31-6442 [1,0,0,0,1,0|2,0,0]=4 81 B12R2.315 NCC1=C2NC=CC2=CC=C1 BB32-1342 [1,0,0,0,1,0|1,0,0]=3