0 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 02274 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 23435 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.16 CCOC(=N)C1=CC=NC=C1 26199 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.16 CCOC(=O)C1=CC=CN=C1 27050 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.16 CCOC(=O)C1=CC=NC=C1 27059 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.16 CCOC(=O)C1=NC=CC=C1 27024 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.16 CCOC(=O)C1=NC=CN=C1 28399 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.16 N#CCC(=O)C1=CC=CC=C1 24454 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.16 O=C(CCCl)C1=CC=CC=C1 26765 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.16 O=C(OCCl)C1=CC=CC=C1 19364 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 26801 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.91 CC(=O)OCC1=CC=CC=C1 27188 [1,0,0,0,0,0|1,0,2]=4 12 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 27088 [0,0,0,1,0,0|1,0,1]=3 13 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 32066 [0,0,0,0,1,0|1,0,0]=2 14 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=C1 24862 [0,0,0,0,0,1|2,0,0]=3 15 B13R1.45 CN(C)\C=C\C(=O)C1=CC=NC=C1 23257 [0,0,0,0,0,1|3,0,0]=4 16 B10R1.15 CCC(=O)C1=CC=CC=C1 27218 [2,0,0,0,0,0|0,0,0]=2 17 B10R1.15 CCC(=O)C1=CC=CN=C1 27485 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.15 COC(=O)C1=CC=CC=C1 27174 [2,0,0,0,0,0|0,0,0]=2 19 B10R1.15 COC(=O)C1=CC=CN=C1 27049 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.15 COC(=O)C1=CC=NC=C1 27058 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.15 COC(=O)C1=CC=NC=N1 24031 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.15 COC(=O)C1=NC=CC=C1 27538 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.15 O=C(CBr)C1=CC=CC=C1 01681 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.15 O=C(CBr)C1=CC=CC=N1 28615 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.15 O=C(CBr)C1=CN=CC=C1 24916 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.15 O=C(CCl)C1=CC=CC=C1 12998 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.17 CCCCC1=CC=CC=C1 27221 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.17 ClCOCC1=CC=CC=C1 00728 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 30022 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 31763 [1,1,0,0,0,0|0,0,0]=2 31 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 23251 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 19076 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.17 CCOC(=O)C1=CC(=O)NC=N1 24066 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 27571 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 28790 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.17 CCOC(=O)C1=CC=CC(Br)=C1 27361 [1,1,0,0,0,0|0,0,0]=2 37 B12R1.30 CCCCC(=O)C1=CC=CC=C1 30357 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 25909 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.308 CCOC(=O)C1=C(Cl)C=CN=C1 20278 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.308 CCOC(=O)C1=C(Cl)N=CN=C1 18991 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 17675 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.308 CCOC(=O)C1=CN=CNC1=O 20559 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl 20702 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 27196 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.20 CC1=CC=C(C(=O)C(C)Br)C=C1 30861 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.225 CC(Br)C(=O)C1=CC=CC(Cl)=C1 17443 [0,1,0,0,1,0|1,0,0]=3 47 B12R1.225 CC(Cl)C(=O)C1=CC=CC(Cl)=C1 20003 [0,1,0,0,1,0|1,0,0]=3 48 B12R1.265 CC(C)(C)OC(=O)N1C=CC=C1 31176 [0,1,0,0,1,0|1,0,0]=3 49 B12R1.265 CC(C)(C)OC(=O)N1C=CN=C1 31296 [0,1,0,0,1,0|2,0,0]=4 50 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CC=C1 24140 [0,1,0,0,0,1|0,0,0]=2 51 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 31286 [0,1,0,0,0,1|0,0,0]=2 52 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(N)C=C1 28374 [0,2,0,0,0,0|0,0,0]=2 53 B12R2.1081 O=C1CCCC2=C1C=CC=N2 18148 [1,0,0,1,0,0|2,0,0]=4 54 B12R2.1081 O=C1CCNC2=C1C=CC=C2 17242 [1,0,0,1,0,0|2,0,0]=4 55 B12R2.1081 O=C1CCOC2=C1C=CC=C2 24650 [1,0,0,1,0,0|2,0,0]=4 56 B12R2.1081 O=C1NCCC2=C1C=CC=C2 20083 [1,0,0,1,0,0|1,0,0]=3 57 B12R2.2028 O=C1OC(=O)C2=C1C=CC=C2 02350 [1,0,0,1,0,0|1,0,1]=4 58 B10R1.11 CCOC(=O)C1=CNN=C1 29434 [1,0,0,0,1,0|2,0,0]=4 59 B10R1.11 CCOC(=O)C1=COC=C1 26941 [1,0,0,0,1,0|1,0,0]=3 60 B10R1.11 CCOC(=O)C1=COC=N1 18190 [1,0,0,0,1,0|2,0,0]=4 61 B10R1.11 CCOC(=O)C1=CSC=N1 17790 [1,0,0,0,1,0|2,0,0]=4 62 B10R1.11 CCOC(=O)C1=NC=CO1 20728 [1,0,0,0,1,0|2,0,0]=4 63 B10R1.11 CCOC(=O)C1=NOC=C1 14403 [1,0,0,0,1,0|2,0,0]=4 64 B12R1.32 CCOC(=O)CC1=CC=CC=C1 27212 [1,0,0,0,0,1|0,0,0]=2