0 B13R1.351 CC(Br)C(=O)NCC1=CC=CN=C1 BB53-0024 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.351 CC(Br)C(=O)NCC1=CC=NC=C1 BB52-9340 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.351 CC(Br)C(=O)NCC1=NC=CC=C1 BB52-9901 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.351 CC(Cl)C(=O)NCC1=CC=CN=C1 BB52-9801 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.351 CC(Cl)C(=O)NCC1=CC=NC=C1 BB53-0945 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.351 CC(Cl)C(=O)NCC1=NC=CC=C1 BB53-0856 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.351 C[C@@H](O)C(=O)OCC1=CC=CC=C1 BB31-6885 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 BB31-2799 [1,0,0,0,0,0|0,0,2]=3 8 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 BB32-1672 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.27 O=C(CBr)NCC1=CC=CN=C1 BB52-9526 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.27 O=C(CBr)NCC1=CC=NC=C1 BB53-0757 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 BB53-1125 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 BB53-1145 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 BB32-3884 [0,0,0,0,1,0|1,0,0]=2 16 B12R1.264 CC(Cl)C(=O)NCC1=CC=CO1 BB53-0139 [0,0,0,0,1,0|3,0,0]=4 17 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 BB32-3522 [1,1,0,0,0,0|2,0,0]=4 18 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 BB31-4540 [1,1,0,0,0,0|2,0,0]=4 19 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BB32-1808 [1,1,0,0,0,0|2,0,0]=4 20 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 BB31-9102 [1,1,0,0,0,0|2,0,0]=4 21 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 BB32-2078 [1,1,0,0,0,0|2,0,0]=4 22 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 BB31-5020 [1,1,0,0,0,0|0,0,2]=4 23 B13R1.42 O=C(CCBr)OCC1=CC=CC=C1 BB31-7456 [1,1,0,0,0,0|0,0,0]=2 24 B13R1.42 O=C(CCCl)NCC1=CC=CN=C1 BB52-9649 [1,1,0,0,0,0|2,0,0]=4 25 B13R1.42 O=C(CCCl)NCC1=CC=NC=C1 BB52-8927 [1,1,0,0,0,0|2,0,0]=4 26 B13R1.42 O=C(CCCl)NCC1=NC=CC=C1 BB52-9996 [1,1,0,0,0,0|2,0,0]=4 27 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB31-5428 [1,1,0,0,0,0|2,0,0]=4 28 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 BB32-1982 [1,1,0,0,0,0|2,0,0]=4 29 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 BB31-4052 [1,1,0,0,0,0|2,0,0]=4 30 B13R1.148 CN(C)C(=O)OC1=CC(N)=CC=C1 BB31-3913 [0,1,0,0,1,0|1,0,0]=3 31 B13R1.202 CC(C)C(=O)NC1=C(N)C=CC=C1 BB12-7669 [0,1,0,0,1,0|1,0,0]=3 32 B15R1.741 C[C@H](CN)NC(=O)OCC1=CC=CC=C1 BB32-2059 [0,1,0,0,0,1|0,0,0]=2 33 B15R1.3010 CC(C)[C@@H](CBr)COCC1=CC=CC=C1 BB31-3477 [0,1,0,0,0,1|1,0,1]=4 34 B15R1.348 COC(C)(C)C(=O)OCC1=CC=CC=C1 BB31-1967 [0,2,0,0,0,0|0,0,0]=2 35 B13R2.15272 COC(=O)C1CC2=C1C=CC=C2 BB32-2031 [1,0,0,1,0,0|2,0,0]=4 36 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 BB31-5887 [0,0,0,1,0,1|2,0,0]=4 37 B15R2.24494 O=C(CC1CC1)OCC2=CC=CC=C2 BB32-3525 [0,0,0,1,0,1|0,0,0]=2 38 B15R2.1255 CC(Cl)C(=O)N1CCC2=CC=CC=C21 BB52-9956 [0,0,0,1,0,1|2,0,0]=4 39 B15R2.13159 CC1(C)OC(C2=CC=CC=C2)NC1=O BB31-7661 [0,1,0,1,0,0|1,0,0]=3 40 B15R2.4083 O=C1C(Br)CCN1CC2=CC=CC=C2 BB32-3965 [0,1,0,1,0,0|2,0,0]=4 41 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [1,0,0,0,1,0|1,0,0]=3 42 B11R1.40 NNC(=O)OC1=CC=CC=C1 BB31-5306 [1,0,0,0,1,0|2,0,0]=4 43 B11R1.40 O=C(CO)NC1=CC=CC=C1 BB32-2558 [1,0,0,0,1,0|2,0,0]=4 44 B11R1.36 C=C(C1=CC=CC=C1)C(C)C BB31-3442 [0,0,0,0,2,0|1,0,0]=3 45 B11R1.36 CC(C)C(C)C1=CC=CC=C1 BB31-5345 [0,0,0,0,2,0|1,0,1]=4 46 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 BB31-5054 [0,0,0,0,2,0|1,0,1]=4 47 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 BB31-7042 [0,0,0,0,2,0|1,0,1]=4