0 B12R1.30 NC(CCCO)C1=CC=CC=C1 BB32-2038 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.30 NCCNC(=O)C1=CC=NC=C1 BB52-8546 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.30 NCCNC(=O)C1=CN=CC=C1 BB52-9480 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.30 NCCNC(=O)C1=CN=CC=N1 BB52-9520 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.30 NCCNC(=O)C1=NC=CC=C1 BB52-9593 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.30 O=C(NCCO)C1=CN=CC=C1 BB32-3282 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.30 O=C(NCCO)C1=NC=CN=C1 BB31-6600 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.16 COCC(=O)C1=CC=CC=C1 BB31-5695 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 BB31-7522 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.16 COC[C@H](N)C1=CC=CC=C1 BB32-3222 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.16 N#CCC(=O)C1=CN=CC=C1 BB31-4608 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.16 OCCC(O)C1=CC=CC=C1 BB32-2523 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.28 CCCC#CC1=CC=CC=C1 BB31-3592 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 NCCCOC1=CC=CC=C1 BB31-8683 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.28 OCCC#CC1=CC=CC=C1 BB31-0301 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.17 CC1=NC=C(C(=O)NCCN)C=C1 BB52-8934 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.47 C=C(C(=O)OCC)C1=CC=CC=C1 BB31-6176 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.47 CCOC(=O)C(=O)C1=CN=CC=C1 BB31-6912 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 BB32-2312 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 BB52-0645 [0,0,0,1,0,0|2,0,1]=4 21 B13R2.371 O=C1CCC(O)C2=C1C=CC=C2 BB31-4158 [0,0,0,1,0,0|2,0,0]=3 22 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 BB32-3544 [0,0,0,1,0,0|1,0,1]=3 23 B13R2.690 O=C(NC1CC1)C2=CC=NC=C2 BB32-1735 [0,0,0,1,0,0|2,0,0]=3 24 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 BB31-9636 [0,0,0,1,0,0|2,0,0]=3 25 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 BB31-9339 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.29 NCCNC(=O)C1=CC=CS1 BB52-9180 [0,0,0,0,1,0|3,0,0]=4 27 B10R1.15 C=C(CC)C1=CC=CC=C1 BB31-3793 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.15 CCC(=O)C1=NC=CN=C1 BB32-2771 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.15 COC(=N)C1=CC=CC=C1 BB31-6235 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.15 COC(=O)C1=CN=NC=C1 BB31-6242 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.17 NCCOC1=CC=NC=C1 BB32-2674 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.17 NCCOC1=NC=CC=C1 BB31-4550 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 BB31-1752 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 BB31-0860 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.16 CCOC(=O)C1=NC=C(F)C=N1 BB31-9652 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 BB31-1395 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.17 CCOC(=O)C1=CC(Cl)=NN=C1 BB32-3317 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.17 CCOC(=O)C1=CC(F)=CN=C1 BB31-8119 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.17 CCOC(=O)C1=CC=NC(Br)=N1 BB31-9247 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 BB31-7443 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.17 N#CCC(=O)C1=CC=CC(F)=C1 BB31-8150 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 BB31-1753 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=N1 BB31-9669 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.308 CCOC(=O)C1=C(F)C=CC=N1 BB31-8854 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.308 CCOC(=O)C1=CC=CN=C1Br BB32-2384 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.308 CCOC(=O)C1=CC=NN=C1Cl BB31-2801 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.308 CCOC(=O)C1=CC=NNC1=O BB31-2800 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.308 CCOC(=O)C1=NC=NC=C1N BB32-3564 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.8 NCCCCCC1=CC=CC=C1 BB31-3637 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.8 OCCCC#CC1=CC=CC=C1 BB31-4278 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 BB32-1672 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.58 COC(CC(=O)C1=CC=CC=C1)OC BB31-7643 [0,2,0,0,0,0|2,0,0]=4 54 B14R1.35 O=C(C1=CC=C(Cl)C=C1)C(Br)CCCl BB32-1933 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.926 COC1=CC=C(C(=O)CCCCl)C=C1 BB31-5918 [0,2,0,0,0,0|2,0,0]=4 56 B14R1.941 CCCCC(=O)C1=CC(Cl)=C(Cl)C=C1 BB31-7037 [0,2,0,0,0,0|1,0,0]=3 57 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 BB31-8627 [1,0,0,1,0,0|1,0,0]=3 58 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 BB32-3315 [1,0,0,1,0,0|1,0,1]=4 59 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 BB32-3398 [1,0,0,1,0,0|1,0,1]=4 60 B12R2.116 NC1(C2=CC=CC=C2)CCC1 BB31-5544 [1,0,0,1,0,0|1,0,1]=4 61 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 BB32-1584 [1,0,0,1,0,0|1,0,1]=4 62 B12R2.1081 O=C1CCCC2=C1C=CN=C2 BB31-7974 [1,0,0,1,0,0|1,0,0]=3 63 B12R2.1081 O=C1CCOC2=C1C=NC=C2 BB31-7283 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.1081 O=C1CCOC2=CC=CN=C12 BB31-7810 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.1081 O=C1COCC2=C1C=CC=C2 BB31-4135 [1,0,0,1,0,0|1,0,0]=3 66 B12R2.1081 OB1OCCC2=C1C=CC=C2 BB31-4013 [1,0,0,1,0,0|1,0,1]=4 67 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 BB31-4223 [1,0,0,1,0,0|0,0,2]=4 68 B12R2.2028 NC1CC(=O)C2=C1C=CC=C2 BB32-0444 [1,0,0,1,0,0|1,0,0]=3 69 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 BB31-5520 [1,0,0,1,0,0|1,0,1]=4 70 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 BB31-7748 [1,0,0,1,0,0|1,0,1]=4 71 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 BB32-2091 [1,0,0,1,0,0|1,0,0]=3 72 B12R2.1 CCN1C=CC2=C1C=CC=C2 BB31-8973 [1,0,0,1,0,0|2,0,0]=4 73 B14R2.933 O=C(NC1CC1)C2=CN=C(Cl)C=C2 BB32-3484 [0,1,0,1,0,0|2,0,0]=4 74 B14R2.8719 NC1=CC2=C(C=C1)C(=O)CCCC2 BB32-1939 [0,1,0,1,0,0|1,0,0]=3 75 B14R2.8719 O=C1CCCCC2=C1C=CC(Br)=C2 BB31-3390 [0,1,0,1,0,0|1,0,0]=3 76 B14R2.8719 O=C1CCCOC2=C1C=CC(Br)=C2 BB31-2663 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.5637 O=C1CCCNC2=C1C=C(Br)C=C2 BB32-1337 [0,1,0,1,0,0|2,0,0]=4 78 B14R2.2974 O=CC1(C2=CC=CC=C2)CCCC1 BB32-1106 [0,1,0,1,0,0|1,0,1]=4 79 B14R2.403 CC1(C)COC(C2=CN=CC=C2)=N1 BB32-3629 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 BB32-0949 [0,1,0,1,0,0|1,0,0]=3 81 B10R1.11 O=C(CCCl)C1=CC=CS1 BB32-1718 [1,0,0,0,1,0|2,0,0]=4