0 B9R1.11 CCC(=O)C1=CC=CN1 2175AL [0,0,0,0,0,0|1,0,3]=4 1 B9R1.11 CNC(=O)[C@@H]1CCCN1 V5238 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.11 COC(=O)C1=CNN=N1 6733AB [0,0,0,0,0,0|4,0,0]=4 3 B9R1.11 COC(=O)C1=COC=N1 8746AA [0,0,0,0,0,0|3,0,1]=4 4 B9R1.11 COC(=O)C1=CSC=N1 Y5483 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.11 COC(=O)C1=NC=CN1 W3783 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.11 COC(=O)C1CCCN1 Z5141 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.11 COC(=O)C1NCCS1 Y8749 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.11 O=C(CBr)C1=CC=CS1 Y6915 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.11 O=C(CBr)C1=NC=CS1 W5467 [0,0,0,0,0,0|1,0,2]=3 10 B9R1.11 O=C(CBr)N1CCCC1 2846AF [0,0,0,0,0,0|4,0,0]=4 11 B8R1.7 CC(=O)C1=CNC=N1 9304AB [1,0,0,0,0,0|2,0,1]=4 12 B8R1.7 CC(=O)C1=CSC=N1 W5893 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.7 CC(=O)C1=NC=CN1 5223AE [1,0,0,0,0,0|1,0,2]=4 14 B8R1.7 O=C(O)C1NCCS1 W7647 [1,0,0,0,0,0|1,0,2]=4 15 B8R1.8 CCCC1=NC=CS1 9241AA [1,0,0,0,0,0|0,0,3]=4 16 B10R1.11 CCCC(=O)C1=CC=CS1 Z5535 [0,1,0,0,0,0|1,0,2]=4 17 B10R1.11 CCNC(=O)[C@@H]1CCCN1 V6753 [0,1,0,0,0,0|1,0,2]=4 18 B10R1.11 CCOC(=O)C1=CN=CS1 W5468 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.11 CCOC(=O)C1=CNN=N1 Z4712 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.11 CCOC(=O)C1=CSC=N1 Y5283 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.11 CCOC(=O)C1=NC=CO1 W5476 [0,1,0,0,0,0|0,1,2]=4 22 B10R1.11 CCOC(=O)C1=NC=CS1 Y7549 [0,1,0,0,0,0|0,0,2]=3 23 B10R1.11 CCOC(=O)C1=NOC=C1 X5534 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.11 CCOC(=O)C1=NOC=N1 6635AJ [0,1,0,0,0,0|2,0,1]=4 25 B10R1.11 CCOC(=O)C1SCCS1 0504AB [0,1,0,0,0,0|1,0,1]=3 26 B10R1.11 CCOC(=O)[C@@H]1CCCN1 V5249 [0,1,0,0,0,0|1,0,2]=4 27 B10R1.11 CNCC(=O)N1CCCC1 4377AD [0,1,0,0,0,0|3,0,0]=4 28 B10R1.11 NCCC(=O)N1CCCC1 7856AE [0,1,0,0,0,0|3,0,0]=4 29 B10R1.14 CCC(=O)C1=CC=C(Br)S1 0221AE [0,1,0,0,0,0|1,0,2]=4 30 B10R1.14 COC(=O)C1=NC(Br)=CS1 7654AC [0,1,0,0,0,0|1,0,2]=4 31 B10R1.14 COC(=O)C1=NC(C)=CS1 W3177 [0,1,0,0,0,0|1,0,2]=4 32 B10R1.14 COC(=O)C1=NC=C(C)S1 W8488 [0,1,0,0,0,0|1,0,2]=4 33 B10R1.149 COC(=O)C1=C(N)CCC1 7484AB [0,1,0,0,0,0|3,0,0]=4 34 B8R0.3 CCCC(=O)C(=O)OC 8222AL [0,0,1,0,0,0|2,1,0]=4 35 B8R0.3 CCOC(=O)C(=O)CC W3459 [0,0,1,0,0,0|1,1,0]=3 36 B8R0.6 CCCCCC(=O)CC 6144AL [0,0,1,0,0,0|2,0,1]=4 37 B8R0.6 CCCCNC(=O)CC 8516AL [0,0,1,0,0,0|3,0,0]=4 38 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [0,0,1,0,0,0|3,0,0]=4 39 B8R0.20 CCC(=O)N(CC)CC P947 [0,0,1,0,0,0|3,0,0]=4 40 B10R2.32 O=C1CCC2=C1SC=C2 W7014 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.38 COC(=O)C1CCC1 9430AE [0,0,0,0,1,0|2,0,1]=4 42 B8R1.38 COC(=O)C1CCN1 3825AJ [0,0,0,0,1,0|1,0,2]=4 43 B8R1.38 O=C(CCl)N1CCC1 7072AE [0,0,0,0,1,0|3,0,0]=4 44 B10R1.15 CCC(=O)C1=CC=CN=C1 Y5018 [0,0,0,0,0,1|1,0,2]=4 45 B10R1.15 CCC(=O)C1=NC=CC=C1 Y6177 [0,0,0,0,0,1|1,0,2]=4 46 B10R1.15 CCC(=O)C1CCCCC1 2177AA [0,0,0,0,0,1|2,0,1]=4 47 B10R1.15 COC(=O)C1=CCCCC1 9647AA [0,0,0,0,0,1|3,0,0]=4 48 B10R1.15 COC(=O)C1=CCNCC1 6880AJ [0,0,0,0,0,1|3,0,0]=4 49 B10R1.27 O=C(CBr)NC1=NC=CS1 8942AE [0,0,0,0,0,1|1,0,2]=4 50 B7R0.3 CCCCC(=O)CC 7786AF [1,0,1,0,0,0|1,0,1]=4 51 B7R0.3 CCCOC(=O)CC 7524AF [1,0,1,0,0,0|1,1,0]=4 52 B7R0.10 C\C=C(/C)C(=O)OC 8251AL [1,0,1,0,0,0|2,0,0]=4 53 B7R0.1 CC\C=C/CCCO 7447AL [1,0,1,0,0,0|1,1,0]=4 54 B7R1.1 CCC1=NCCN1 5611AL [2,0,0,0,0,0|1,0,0]=3 55 B7R1.1 COC1=NCCC1 7443AB [2,0,0,0,0,0|2,0,0]=4 56 B7R1.1 O=CC1=CCCC1 Z4945 [2,0,0,0,0,0|2,0,0]=4 57 B7R1.1 O=CC1=NC=CS1 0841AA [2,0,0,0,0,0|0,0,2]=4 58 B9R0.6 CCOC(=O)C(=O)C(C)Br 5871AE [0,1,1,0,0,0|1,1,0]=4 59 B9R0.35 CCOC(=N)C(=O)OCC Z5154 [0,1,1,0,0,0|0,1,0]=3 60 B9R1.35 CC(=O)C1=NC(C)=CS1 0755AQ [1,1,0,0,0,0|0,0,2]=4 61 B9R1.35 CC(=O)C1=NC=C(C)S1 Y9563 [1,1,0,0,0,0|0,0,2]=4 62 B9R1.73 CCOC(=O)C1CCC1 V0726 [0,1,0,0,1,0|1,0,1]=4 63 B11R1.16 CCOC(=O)C1SCCCS1 0505AB [0,1,0,0,0,1|1,0,1]=4 64 B11R1.30 O=C(CCCl)NC1=NC=CS1 8816AD [0,1,0,0,0,1|0,0,2]=4 65 B11R1.35 CC(Cl)C(=O)NC1=NC=CS1 9724AC [0,1,0,0,0,1|0,0,2]=4 66 B11R1.35 CC(Cl)C(=O)NC1=NN=CS1 7504AC [0,1,0,0,0,1|1,0,1]=4 67 B11R1.15 CCOC(=O)C1=NN=C(Br)S1 Z3818 [0,2,0,0,0,0|1,0,1]=4 68 B11R1.15 CCOC(=O)C1=NN=C(C)S1 4102AJ [0,2,0,0,0,0|1,0,1]=4 69 B11R1.199 CCOC(=O)C1=C(N)CCC1 X2964 [0,2,0,0,0,0|2,0,0]=4 70 B11R2.2 C1COC(C2=NCCO2)=N1 5107AL [0,1,0,1,0,0|0,1,1]=4 71 B7R1.18 CC(=O)C1CCC1 9513AD [1,0,0,0,1,0|1,0,1]=4 72 B9R1.6 CC(=O)C1=CCCCC1 7650AJ [1,0,0,0,0,1|2,0,0]=4