0 B13R1.718 COC(=O)CCNC1=CC=CC=C1 BB_SC-01542 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 BB_SC-09049 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.8 CC#CCNCC1=CC=CC=C1 BB_SC-05933 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.8 CCCCNCC1=CC=CC=C1 BB_SC-07064 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.252 O=C(O)CCNC1=NC=CC=N1 BB_NC-02113 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BB_SC-06655 [1,0,0,0,0,0|1,0,0]=2 6 B14R1.13 COC(=O)CCNC1=CC=C(F)C=C1 BB_SC-09685 [0,1,0,0,0,0|1,0,0]=2 7 B14R1.520 CNCC(=O)NCCC1=CC=CC=C1 BB_SC-08655 [0,1,0,0,0,0|2,0,0]=3 8 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 BB_SC-08971 [0,1,0,0,0,0|2,0,0]=3 9 B14R1.1025 COC(=O)CCNC1=CC=CC(Cl)=C1 BB_SC-09684 [0,1,0,0,0,0|1,0,0]=2 10 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 BB_SC-05539 [0,0,0,1,0,0|1,0,0]=2 11 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 BB_SC-02735 [0,0,0,1,0,0|1,0,2]=4 12 B14R2.95 NCC(=O)N1CCC2=CC=CC=C21 BB_SC-08050 [0,0,0,1,0,0|3,0,0]=4 13 B14R2.958 NNC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 BB_SC-00095 [0,0,0,1,0,0|2,0,0]=3 14 B14R2.958 NNC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 BB_SC-00090 [0,0,0,1,0,0|2,0,0]=3 15 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB_SC-11680 [0,0,0,0,1,0|1,0,0]=2 16 B12R1.477 COC(=O)CNCC1=CC=CO1 BB_SC-09189 [0,0,0,0,1,0|2,0,0]=3 17 B11R1.28 CCCCCC1=CC=CC=N1 BB_NC-00787 [2,0,0,0,0,0|1,0,1]=4 18 B11R1.28 CNCCOC1=CC=CC=C1 BB_SC-07821 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.28 OCCNCC1=CC=CC=C1 BB_SC-05464 [2,0,0,0,0,0|1,0,1]=4 20 B13R1.28 COCCCNCC1=NC=CC=C1 BB_SC-01187 [1,1,0,0,0,0|1,0,1]=4 21 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 BB_NC-00259 [1,1,0,0,0,0|0,0,1]=3 22 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 BB_NC-01748 [1,1,0,0,0,0|1,0,1]=4 23 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB_SC-05457 [1,1,0,0,0,0|1,0,1]=4 24 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 BB_SC-08421 [1,1,0,0,0,0|1,0,0]=3 25 B13R1.513 O=C(O)CNCC1=CC=C(Cl)C=C1 BB_SC-08873 [1,1,0,0,0,0|1,0,0]=3 26 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BB_NC-02825 [0,1,0,0,1,0|0,0,0]=2 27 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 BB_SC-06310 [0,1,0,0,1,0|1,0,0]=3 28 B13R1.14 COC(=O)CNC1=CC=C(F)C=C1 BB_SC-08642 [0,1,0,0,1,0|1,0,0]=3 29 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-02401 [0,1,0,0,1,0|1,0,0]=3 30 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-01235 [0,1,0,0,1,0|0,0,0]=2 31 B15R1.964 COC(=O)CCN(C)CC1=CC=CC=C1 BB_SC-08085 [0,1,0,0,0,1|0,0,0]=2 32 B15R1.206 COC(=O)CCNC1=CC=C(OC)C=C1 BB_SC-09687 [0,2,0,0,0,0|1,0,0]=3 33 B15R1.947 COC(=O)C(=O)CC(=O)C1=CC=CC=C1 BB_SC-10864 [0,2,0,0,0,0|0,0,2]=4 34 B15R1.1569 COC(=O)CCNC1=CC=CC(OC)=C1 BB_SC-09686 [0,2,0,0,0,0|1,0,0]=3 35 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 BB_SC-08889 [1,0,0,1,0,0|2,0,0]=4 36 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 BB_SC-07395 [1,0,0,1,0,0|2,0,0]=4 37 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 BB_SC-02661 [1,0,0,1,0,0|0,0,0]=2 38 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 BB_SC-02410 [1,0,0,1,0,0|0,0,0]=2 39 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 BB_SC-06465 [0,0,0,1,0,1|1,0,0]=3 40 B15R2.79765 NCC(=O)N1CCCC2=CC=CC=C21 BB_SC-09081 [0,0,0,1,0,1|2,0,0]=4 41 B15R2.73 NCCC(=O)N1CCC2=CC=CC=C21 BB_SC-08969 [0,1,0,1,0,0|2,0,0]=4 42 B15R2.1342 CCOC(=O)C1CC1C2=CC=CC=C2 BB_SC-00210 [0,1,0,1,0,0|0,0,0]=2 43 B15R2.1601 COC(=O)C1CCC2=CC=CC=C2N1 BB_SC-04248 [0,1,0,1,0,0|0,0,0]=2 44 B15R2.1601 COC(=O)C1COC2=CC=CC=C2O1 BB_SC-06237 [0,1,0,1,0,0|1,0,0]=3 45 B15R2.1601 [C@@H]1(C(=O)NC)CC2=C(C=CC=C2)CN1 BB_NC-02152 [0,1,0,1,0,0|2,0,0]=4 46 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [1,0,0,0,1,0|0,0,0]=2 47 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 BB_SC-12727 [1,0,0,0,1,0|0,0,2]=4 48 B11R1.91 CC(N)CCC1=CC=CC=C1 BB_NC-02304 [1,0,0,0,1,0|1,0,1]=4 49 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB_SC-06484 [1,0,0,0,1,0|2,0,0]=4 50 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BB_SC-07201 [1,0,0,0,1,0|2,0,0]=4 51 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB_SC-06586 [1,0,0,0,1,0|0,0,2]=4 52 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [1,0,0,0,1,0|0,0,0]=2 53 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB_NC-02642 [1,0,0,0,1,0|1,0,0]=3 54 B11R1.91 O=C(O)COC1=CC=CC=C1 BB_SC-06261 [1,0,0,0,1,0|1,0,0]=3 55 B11R1.91 O=C(O)COC1=CC=CN=C1 BB_SC-06065 [1,0,0,0,1,0|2,0,0]=4 56 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BB_SC-12379 [1,0,0,0,1,0|0,0,2]=4 57 B11R1.172 O=C(O)CCCN1C=CC=C1 BB_SC-12091 [1,0,0,0,1,0|1,0,0]=3 58 B11R1.172 O=C(O)CCCN1C=CC=N1 BB_SC-09297 [1,0,0,0,1,0|2,0,0]=4 59 B11R1.172 O=C(O)CCCN1C=CN=C1 BB_SC-08539 [1,0,0,0,1,0|2,0,0]=4 60 B11R1.172 O=C(O)CNCC1=CC=CO1 BB_SC-09207 [1,0,0,0,1,0|2,0,0]=4 61 B11R1.25 COC(=O)CCN1C=CC=N1 BB_SC-03690 [0,0,0,0,2,0|2,0,0]=4 62 B11R1.40 COC(=O)CC1=CC=CC=C1 BB_SC-07169 [0,0,0,0,2,0|0,0,0]=2