0 B7R1.2 C=C1C=CC(=O)O1 C07090 [0,0,0,0,0,0|2,1,1]=4 1 B7R1.2 CC1=CC(O)=NO1 C11103 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 O=C1C=CC(=O)N1 C07272 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 CC1=CN=CN1 C19262 [1,0,0,0,0,0|1,0,0]=2 4 B6R1.2 CC1=CNN=C1 C07837 [1,0,0,0,0,0|2,0,0]=3 5 B6R1.2 CC1=NC=CN1 C19261 [1,0,0,0,0,0|1,0,0]=2 6 B6R1.2 CC1=NCCC1 C20808 [1,0,0,0,0,0|1,0,2]=4 7 B6R1.2 NC1=CN=CN1 C05239 [1,0,0,0,0,0|2,0,0]=3 8 B6R1.2 NC1=NNC=N1 C11261 [1,0,0,0,0,0|3,0,0]=4 9 B6R1.2 O=C1CC=CO1 C17602 [1,0,0,0,0,0|2,1,0]=4 10 B6R1.2 O=C1CNC=N1 C06195 [1,0,0,0,0,0|3,0,0]=4 11 B6R1.2 O=C1NC=CN1 C20382 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.1 CC1=CC=C(C=O)O1 C11115 [0,1,0,0,0,0|1,1,1]=4 13 B6R0.1 C\C=N\N(C)C=O C08305 [0,0,1,0,0,0|3,0,0]=4 14 B6R0.2 CC(=O)CC(C)=O C15499 [0,0,1,0,0,0|3,0,0]=4 15 B6R0.4 C(=N/OC)C(C)C C03982 [0,0,1,0,0,0|2,0,1]=4 16 B8R1.3 CC1=CC=C(C)C=C1 C06756 [0,0,0,0,0,1|2,0,0]=3 17 B8R1.3 CC1=CC=C(Cl)C=C1 C14451 [0,0,0,0,0,1|3,0,0]=4 18 B8R1.3 CC1=CC=C(O)C=C1 C01468 [0,0,0,0,0,1|3,0,0]=4 19 B8R1.3 OC1=CC=C(O)N=C1 C01059 [0,0,0,0,0,1|3,0,0]=4 20 B8R1.4 CC1=CC(O)=CC=C1 C01467 [0,0,0,0,0,1|3,0,0]=4 21 B8R1.4 CC1=CC=CC(C)=C1 C07208 [0,0,0,0,0,1|2,0,0]=3 22 B5R0.1 C=COC(C)=O C19309 [1,0,1,0,0,0|1,1,0]=4 23 B5R0.1 C=COC(C)=O C19546 [1,0,1,0,0,0|1,1,0]=4 24 B5R0.1 CC(C)=CC=O C07330 [1,0,1,0,0,0|2,0,0]=4 25 B5R0.1 C\C=C\C(=O)O C01771 [1,0,1,0,0,0|1,1,0]=4 26 B5R1.1 C1=CNC=C1 C19907 [2,0,0,0,0,0|1,0,1]=4 27 B5R1.1 C1=CNC=N1 C01589 [2,0,0,0,0,0|1,0,0]=3 28 B5R1.1 C1=CNN=C1 C00481 [2,0,0,0,0,0|2,0,0]=4 29 B5R1.1 C1=COC=C1 C14275 [2,0,0,0,0,0|1,1,0]=4 30 B7R1.1 OCC1=CC=CO1 C20441 [1,1,0,0,0,0|1,1,0]=4 31 B7R1.1 OCC1=CN=CN1 C05562 [1,1,0,0,0,0|1,0,0]=3 32 B9R1.1 CC1=CC=C(CO)C=C1 C06757 [0,1,0,0,0,1|2,0,0]=4 33 B9R1.69 CC1=CC(C)=C(C)C=C1 C14533 [0,1,0,0,0,1|2,0,0]=4 34 B9R1.69 CC1=CC(N)=C(C)C=C1 C18993 [0,1,0,0,0,1|2,0,0]=4 35 B9R1.69 CC1=CNC(=O)N=C1N C02376 [0,1,0,0,0,1|2,0,0]=4 36 B9R1.2 CC1=CC=CC(CO)=C1 C07216 [0,1,0,0,0,1|2,0,0]=4 37 B9R1.2 CCC1=CC=CC(C)=C1 C14522 [0,1,0,0,0,1|2,0,0]=4 38 B9R1.3 CC1=CC=CC(C)=C1C C14518 [0,1,0,0,0,1|2,0,0]=4 39 B9R1.3 CC1=CC=CC(C)=C1N C11004 [0,1,0,0,0,1|2,0,0]=4 40 B9R1.34 CC1=CC(C)=CC(C)=C1 C14508 [0,1,0,0,0,1|2,0,0]=4 41 B9R1.7 CC1=NC(CCN)=CN1 C17928 [0,2,0,0,0,0|1,0,1]=4 42 B9R1.7 CN1C=NC(CC=O)=C1 C05827 [0,2,0,0,0,0|2,0,0]=4 43 B9R1.7 CN1C=NC(CCN)=C1 C05127 [0,2,0,0,0,0|2,0,0]=4 44 B9R1.21 OCC1=CC=C(CO)O1 C20443 [0,2,0,0,0,0|1,1,0]=4 45 B9R1.35 NC1=NC=C([N+](=O)[O-])S1 C19324 [0,2,0,0,0,0|2,0,0]=4 46 B7R1.3 CC1=NC=CC=C1 C14447 [0,0,1,1,0,0|1,0,1]=4 47 B5R0.5 CC(=N)C(=O)O C20904 [0,0,1,0,1,0|2,0,0]=4 48 B5R0.5 CC(=O)C(C)=O C00741 [0,0,1,0,1,0|2,0,0]=4