0 B15R3.3 C1=CC2=C(C=C1)C3=C(CNCC3)N2 BB_NC-01489 [0,0,0,0,0,0|2,0,0]=2 1 B15R3.3 C1=CC=C2C(=C1)N=C3NCCCN23 BB_SC-05744 [0,0,0,0,0,0|3,0,1]=4 2 B15R3.3 C1=CC=C2C(=C1)NC3=C2CSCC3 BB_SC-09316 [0,0,0,0,0,0|1,0,0]=1 3 B16R3.2583 BrC1=CC=C2NC3=C(CNCC3)C2=C1 BB_SC-09214 [0,1,0,0,0,0|0,0,0]=1 4 B16R3.2583 CN1CCC2=C(C1)C3=CC=CC=C3N2 BB_NC-02497 [0,1,0,0,0,0|0,0,0]=1 5 B16R3.2583 ClC1=CC=C2NC3=C(CNCC3)C2=C1 BB_SC-06198 [0,1,0,0,0,0|0,0,0]=1 6 B16R3.2583 FC1=CC=C2NC3=C(CNCC3)C2=C1 BB_SC-06197 [0,1,0,0,0,0|0,0,0]=1 7 B16R3.2637 C[N+]1=CC2=C(CC1)C3=C(C=CC=C3)N2 BB_NC-02854 [0,1,0,0,0,0|2,0,1]=4 8 B16R3.3329 BrC1=C2NC3=C(CNCC3)C2=CC=C1 BB_NC-02154 [0,1,0,0,0,0|0,0,0]=1 9 B16R3.3329 CC1=CC=CC2=C1NC3=C2CNCC3 BB_NC-02624 [0,1,0,0,0,0|0,0,0]=1 10 B16R3.3329 FC1=CC=CC2=C1NC3=C2CNCC3 BB_SC-08998 [0,1,0,0,0,0|0,0,0]=1 11 B16R3.3329 NC1CCCC2=C1NC3=CC=CC=C32 BB_SC-11942 [0,1,0,0,0,0|1,0,0]=2 12 B16R3.3329 O=C1CCCC2=C1NC3=CC=CC=C32 BB_SC-07998 [0,1,0,0,0,0|1,0,1]=3 13 B16R3.3329 OC1CCCC2=C1NC3=C2C=CC=C3 BB_NC-02609 [0,1,0,0,0,0|1,0,0]=2 14 B16R3.27838 O=C1CCCC2=C1C3=C(C=CC=C3)N2 BB_SC-03174 [0,1,0,0,0,0|1,0,1]=3 15 B14R2.6 C1=CC=C(CN2CCNCC2)C=C1 BB_SC-06533 [0,0,1,0,0,0|2,0,1]=4 16 B14R2.24 NC1=C(N2CCCCC2)C=CC=C1 BB_SC-00373 [0,0,1,0,0,0|2,0,1]=4 17 B14R2.44 CN1C2=CC=CC=C2N=C1CCN BB_SC-09822 [0,0,1,0,0,0|1,0,1]=3 18 B14R2.67 NCCCC1=NC2=CC=CC=C2N1 BB_SC-00988 [0,0,1,0,0,0|3,0,0]=4 19 B14R2.67 NCCCC1=NC2=CC=CC=C2N1 BB_SC-10960 [0,0,1,0,0,0|3,0,0]=4 20 B14R3.49 C1=CC=C2C(=C1)N=C3NCCN23 BB_SC-01555 [0,0,0,0,1,0|2,0,1]=4 21 B14R3.49 C1=CC=C2C(=C1)NC3=C2CCC3 BB_NC-02696 [0,0,0,0,1,0|0,0,0]=1 22 B16R3.1722 C1=CC=C2C(=C1)NC3=C2CCCCC3 BB_NC-02519 [0,0,0,0,0,1|1,0,0]=2 23 B13R2.1 CNCC1=CNC2=NC=CC=C12 BB_SC-12567 [1,0,1,0,0,0|1,0,0]=3 24 B13R2.1 N#CCC1=CNC2=C1C=CC=C2 BB_NC-02787 [1,0,1,0,0,0|1,0,1]=4 25 B13R2.1 NCCC1=CNC2=CC=CC=C12 BB_NC-01174 [1,0,1,0,0,0|1,0,0]=3 26 B13R2.1 NCCC1=CNC2=CC=CC=C12 BB_NC-01178 [1,0,1,0,0,0|1,0,0]=3 27 B13R2.1 OCCC1=CNC2=C1C=CC=C2 BB_NC-01188 [1,0,1,0,0,0|1,0,0]=3 28 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 BB_SC-04193 [1,0,1,0,0,0|2,0,0]=4 29 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 BB_SC-09363 [1,0,1,0,0,0|1,0,1]=4 30 B13R2.26 CNCC1=NC2=CC=CC=C2N1 BB_SC-09302 [1,0,1,0,0,0|1,0,0]=3 31 B13R2.26 NCCC1=CN2C=CC=CC2=N1 BB_SC-10473 [1,0,1,0,0,0|1,0,1]=4 32 B13R2.26 NCCC1=NC2=CC=CC=C2N1 BB_SC-00987 [1,0,1,0,0,0|1,0,0]=3 33 B13R2.26 NCCC1=NC2=CC=CC=C2N1 BB_SC-11450 [1,0,1,0,0,0|1,0,0]=3 34 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 BB_SC-11702 [1,0,1,0,0,0|1,0,1]=4 35 B13R2.45 CN1C2=CC=CC=C2N=C1CN BB_SC-09680 [1,0,1,0,0,0|1,0,1]=4 36 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 BB_SC-00136 [1,0,1,0,0,0|1,0,1]=4 37 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 BB_SC-12666 [0,1,1,0,0,0|1,0,1]=4 38 B15R2.89 CN1C(CCCN)=NC2=C1C=CC=C2 BB_SC-11716 [0,1,1,0,0,0|1,0,1]=4 39 B15R2.89 CN1C2=CC=CC=C2N=C1CCCN BB_SC-09329 [0,1,1,0,0,0|1,0,1]=4 40 B15R2.4362 CN1C2=CC=C(Cl)C=C2N=C1CCN BB_SC-10718 [0,1,1,0,0,0|1,0,1]=4 41 B15R2.993 CC1=C(CC(=O)O)C2=C(C=CC=C2)N1 BB_SC-01381 [0,1,1,0,0,0|2,0,0]=4 42 B15R2.993 CN(C)C=C1C(=O)NC2=CC=CC=C21 BB_SC-07623 [0,1,1,0,0,0|1,0,1]=4 43 B15R2.56717 CC1=C(CCN)C2=CC(F)=CC=C2N1 BB_SC-04922 [0,1,1,0,0,0|2,0,0]=4 44 B15R3.2249 O=C1CCC2=C1NC3=C2C=CC=C3 BB_NC-02542 [0,1,0,0,1,0|0,0,1]=3 45 B17R3.5121 O=C1CCCCC2=C1NC3=C2C=CC=C3 BB_SC-09855 [0,1,0,0,0,1|1,0,0]=3 46 B17R3.31653 FC1=CC=C2NC3=C(CCCCC3)C2=C1 BB_SC-10993 [0,1,0,0,0,1|1,0,0]=3 47 B17R3.1513 COC1=CC=C2NC3=C(CNCC3)C2=C1 BB_NC-02880 [0,2,0,0,0,0|0,0,0]=2 48 B17R3.284867 CC1=CC2=C(C=C1)NC3=C2CCCC3=O BB_SC-00066 [0,2,0,0,0,0|1,0,1]=4 49 B17R3.284867 CC1=CC2=C(C=C1)NC3=C2CCCC3N BB_SC-11959 [0,2,0,0,0,0|1,0,0]=3 50 B17R3.284867 CN1CCC2=C(C1)C3=C(N2)C(F)=CC=C3 BB_SC-09134 [0,2,0,0,0,0|0,0,0]=2 51 B17R3.284867 NC1CCCC2=C1NC3=CC=C(Cl)C=C32 BB_SC-11312 [0,2,0,0,0,0|1,0,0]=3 52 B17R3.284867 NC1CCCC2=C1NC3=CC=C(F)C=C32 BB_SC-11250 [0,2,0,0,0,0|1,0,0]=3 53 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(Cl)C=C3 BB_SC-08211 [0,2,0,0,0,0|1,0,1]=4 54 B17R3.284867 O=C1CCCC2=C1NC3=CC=C(F)C=C32 BB_SC-09131 [0,2,0,0,0,0|1,0,1]=4 55 B17R3.284867 OC1CCCC2=C1NC3=C2C=C(Cl)C=C3 BB_SC-09236 [0,2,0,0,0,0|1,0,0]=3 56 B17R3.633 O\N=C1\CCCC2=C1NC3=CC=CC=C32 BB_NC-02541 [0,2,0,0,0,0|1,0,1]=4 57 B17R3.51120 CC1=C2NC3=C(CCCC3=O)C2=CC=C1 BB_SC-08350 [0,2,0,0,0,0|1,0,1]=4 58 B17R3.51120 NC1CCCC2=C1NC3=C(Cl)C=CC=C23 BB_SC-11251 [0,2,0,0,0,0|1,0,0]=3 59 B17R3.51120 O=C1CCCC2=C1NC3=C(Cl)C=CC=C23 BB_SC-08670 [0,2,0,0,0,0|1,0,1]=4 60 B13R1.44 CNCCC(=O)NC1=CC=CC=C1 BB_SC-08649 [0,0,2,0,0,0|1,0,0]=3 61 B13R1.44 CNCCC(=O)NC1=CC=CN=C1 BB_SC-11115 [0,0,2,0,0,0|2,0,0]=4 62 B13R1.47 CN(C(=O)CCN)C1=CC=CC=C1 BB_SC-08601 [0,0,2,0,0,0|2,0,0]=4 63 B13R2.18 NC1=C(N2CCCC2)C=CC=C1 BB_SC-05224 [0,0,1,0,1,0|1,0,1]=4 64 B15R2.4392 CNCC1=CC(O)=NC2=CC=CC=C12 BB_NC-01059 [0,0,1,0,0,1|1,0,1]=4 65 B15R2.2115 COC1=C(CN)C2=CC=CC=C2C=C1 BB_SC-05802 [0,0,1,0,0,1|2,0,0]=4 66 B17R3.9117 C1=CC=C2C(=C1)NC3=C2CCCCCC3 BB_NC-02522 [0,0,0,0,0,2|1,0,0]=3