0 B13R1.42 CC(CCO)CCC1=CC=CC=C1 BB_NC-00136 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 BB_SC-05179 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.42 CNCC(=O)NCC1=CC=CN=C1 BB_SC-10272 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.42 CNCC(=O)NCC1=NC=CC=C1 BB_SC-09527 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 BB_SC-08604 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.8 CCCCNCC1=CC=CC=C1 BB_SC-07064 [1,0,0,0,0,0|1,0,1]=3 6 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB_SC-11680 [1,0,0,0,0,0|3,0,0]=4 7 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 BB_SC-00161 [0,1,0,0,0,0|2,0,1]=4 8 B14R1.598 CNCC(=O)NCC1=C(Cl)C=CC=C1 BB_SC-08256 [0,1,0,0,0,0|2,0,0]=3 9 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 BB_SC-06955 [0,1,0,0,0,0|0,0,1]=2 10 B12R1.32 CCOC(=O)NC1=CC=CC=C1 BB_SC-06698 [0,0,0,0,1,0|2,0,0]=3 11 B12R1.32 CNCC(=O)NC1=CC=CN=C1 BB_SC-06037 [0,0,0,0,1,0|3,0,0]=4 12 B12R1.32 NCCC(=O)NC1=CC=CC=C1 BB_SC-08136 [0,0,0,0,1,0|2,0,0]=3 13 B12R1.32 NCCC(=O)NC1=CC=NC=C1 BB_SC-08607 [0,0,0,0,1,0|3,0,0]=4 14 B12R1.32 NCCC(=O)NC1=CN=CC=C1 BB_SC-08606 [0,0,0,0,1,0|3,0,0]=4 15 B12R1.32 NCCC(=O)NC1=NC=CC=C1 BB_SC-08829 [0,0,0,0,1,0|3,0,0]=4 16 B14R1.520 CNCC(=O)NCCC1=CC=CC=C1 BB_SC-08655 [0,0,0,0,0,1|2,0,0]=3 17 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 BB_SC-08971 [0,0,0,0,0,1|2,0,0]=3 18 B11R1.28 CCCCCC1=CC=CC=N1 BB_NC-00787 [2,0,0,0,0,0|1,0,1]=4 19 B11R1.28 CNCCOC1=CC=CC=C1 BB_SC-07821 [2,0,0,0,0,0|1,0,1]=4 20 B11R1.28 NCCNCC1=CC=CC=C1 BB_SC-11219 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.28 NCCOCC1=CC=CC=C1 BB_SC-12131 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.28 OCCNCC1=CC=CC=C1 BB_SC-05464 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 BB_SC-12727 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB_SC-06484 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BB_SC-07201 [2,0,0,0,0,0|1,0,0]=3 27 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [2,0,0,0,0,0|2,0,0]=4 28 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BB_NC-02825 [1,1,0,0,0,0|2,0,0]=4 29 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-02401 [1,1,0,0,0,0|2,0,0]=4 30 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-01235 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.19 COCC(=O)NC1=CC=C(N)C=C1 BB_SC-10211 [0,1,0,0,1,0|2,0,0]=4 32 B13R1.19 NCCC(=O)NC1=CC=C(Br)C=C1 BB_SC-08603 [0,1,0,0,1,0|2,0,0]=4 33 B13R1.19 NCCC(=O)NC1=CC=C(Cl)C=C1 BB_SC-08518 [0,1,0,0,1,0|2,0,0]=4 34 B13R1.20 NCCC(=O)NC1=CC=CC(Cl)=C1 BB_SC-08517 [0,1,0,0,1,0|2,0,0]=4 35 B13R1.47 CN(C(=O)CCN)C1=CC=CC=C1 BB_SC-08601 [0,1,0,0,1,0|2,0,0]=4 36 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB_SC-05457 [0,1,0,0,1,0|1,0,1]=4 37 B13R1.470 NCCC(=O)NC1=C(Cl)C=CC=C1 BB_SC-08516 [0,1,0,0,1,0|2,0,0]=4 38 B15R1.48 [C@H](N)(CC1=CC=C(O)C=C1)C(=O)OCC BB_NC-02244 [0,2,0,0,0,0|2,0,0]=4 39 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 BB_SC-09363 [1,0,0,1,0,0|1,0,1]=4 40 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 BB_SC-07395 [1,0,0,1,0,0|2,0,0]=4 41 B15R2.73 NCCC(=O)N1CCC2=CC=CC=C21 BB_SC-08969 [0,0,0,1,0,1|2,0,0]=4 42 B15R2.1342 CCOC(=O)C1CC1C2=CC=CC=C2 BB_SC-00210 [0,0,0,1,0,1|2,0,0]=4 43 B15R2.27 O=C1CC(=O)CC(C2=CC=CC=C2)C1 BB_SC-01590 [0,1,0,1,0,0|1,0,1]=4 44 B15R2.27 O=C1CC(=O)OC(C2=CC=CC=C2)O1 BB_SC-00517 [0,1,0,1,0,0|1,0,1]=4 45 B15R3.4266 C1=CC2=C(C=C1)N=C3CCCN3C2 BB_NC-00767 [0,0,0,2,0,0|2,0,0]=4 46 B11R1.40 COC(=O)CC1=CC=CC=C1 BB_SC-07169 [1,0,0,0,1,0|1,0,0]=3 47 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB_SC-00267 [1,0,0,0,1,0|2,0,0]=4 48 B11R1.16 CCCC(=O)C1=CC=CC=C1 BB_SC-06998 [0,0,0,0,2,0|0,0,0]=2 49 B11R1.16 CCOC(=O)C1=CC=CC=C1 BB_SC-07029 [0,0,0,0,2,0|1,0,0]=3 50 B11R1.16 CCOC(=O)C1=CC=NC=C1 BB_SC-06515 [0,0,0,0,2,0|2,0,0]=4 51 B11R1.16 CCOC(=O)C1=NC=CC=C1 BB_SC-12669 [0,0,0,0,2,0|2,0,0]=4 52 B11R1.16 N#CCC(=O)C1=CC=CC=C1 BB_SC-05743 [0,0,0,0,2,0|1,0,1]=4