0 B6R0.6 CC=C=CCCO 1076AQ [0,0,0,0,0,0|0,0,4]=4 1 B6R0.6 CCCSCCN 1695AE [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 COCCCC=O Y8222 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.2 C=CC\C=C/C 0307AQ [1,0,0,0,0,0|1,0,0]=2 4 B5R0.2 CCC#CCCl 4814AL [1,0,0,0,0,0|1,0,2]=4 5 B5R0.2 CCSCCN 4637AB [1,0,0,0,0,0|2,0,1]=4 6 B5R0.2 O=CNCCO 0539AQ [1,0,0,0,0,0|2,0,1]=4 7 B5R0.2 OC\C=C\CCl 9318AA [1,0,0,0,0,0|1,0,1]=3 8 B5R0.2 OC\C=C\CO Z3450 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.1 C=CC\C=C\CCC 4639AL [0,1,0,0,0,0|1,0,0]=2 10 B7R0.1 CC\C=C/CCC=O 8476AJ [0,1,0,0,0,0|0,0,0]=1 11 B7R0.1 CC\C=C/CCCC 7443AL [0,1,0,0,0,0|1,0,1]=3 12 B7R0.1 COCOCCC=O 5717AJ [0,1,0,0,0,0|1,0,1]=3 13 B7R0.3 CCO\C=C(/C)C=O 3175AE [0,1,0,0,0,0|1,0,1]=3 14 B7R0.3 CC\C=C\C(C)CC 6800AL [0,1,0,0,0,0|1,0,1]=3 15 B7R0.4 C=C(C)CC\C=C\C 5695AL [0,1,0,0,0,0|1,0,2]=4 16 B7R0.4 CN(C)CCCC=O 5485AH [0,1,0,0,0,0|1,0,2]=4 17 B7R0.4 C\C=C\C=C\C(=O)Cl Y2082 [0,1,0,0,0,0|0,0,2]=3 18 B7R0.4 C\C=C\C=C\C(C)=O 5332AL [0,1,0,0,0,0|0,0,2]=3 19 B7R0.4 NCCNCC(=O)O W4767 [0,1,0,0,0,0|2,0,1]=4 20 B7R1.1 BrCC1=CN=CS1 Y7777 [0,0,0,1,0,0|2,1,0]=4 21 B7R1.1 BrCC1=CNC=N1 2559AC [0,0,0,1,0,0|3,0,0]=4 22 B7R1.1 BrCC1=COC=C1 Z5546 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.1 CCC1=CCCC1 4839AL [0,0,0,1,0,0|1,0,1]=3 24 B7R1.1 CCC1=CNN=C1 5501AD [0,0,0,1,0,0|3,0,0]=4 25 B7R1.1 CCC1=CSC=N1 9240AA [0,0,0,1,0,0|2,0,0]=3 26 B7R1.1 CCC1=[C-]CC=C1 3755AB [0,0,0,1,0,0|1,0,1]=3 27 B7R1.1 CSC1=CC=CO1 3661AD [0,0,0,1,0,0|1,0,2]=4 28 B7R1.1 ClCC1=CN=CO1 8892AA [0,0,0,1,0,0|2,0,1]=4 29 B7R1.1 ClCC1=CN=CS1 Z3006 [0,0,0,1,0,0|2,1,0]=4 30 B7R1.1 ClCC1=COC=N1 1964AC [0,0,0,1,0,0|3,0,0]=4 31 B7R1.1 O=CN1C=CN=C1 4713AH [0,0,0,1,0,0|2,0,1]=4 32 B7R1.3 ClC1C=CCCC1 6027AL [0,0,0,1,0,0|2,0,1]=4 33 B7R1.3 NC1CC=CCC1 3965AJ [0,0,0,1,0,0|1,0,1]=3 34 B7R1.3 N[C@H]1CC=CCC1 8362AH [0,0,0,1,0,0|1,0,1]=3 35 B7R1.3 O=C1C=COCC1 2954AC [0,0,0,1,0,0|1,0,1]=3 36 B7R1.3 O=C1CNCCO1 W6328 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.3 OC1C=CCNC1 9590AH [0,0,0,1,0,0|3,0,0]=4 38 B7R1.4 CC1CSCC1=O 6972AB [0,0,0,1,0,0|1,0,1]=3 39 B7R1.6 O=CCC1CCC1 0019AC [0,0,0,1,0,0|0,0,2]=3 40 B7R1.7 O=CCCC1CC1 8213AB [0,0,0,1,0,0|0,0,2]=3 41 B7R1.24 C1=CCCNCC1 X2002 [0,0,0,1,0,0|1,0,1]=3 42 B4R0.2 C=C=CCC 4475AL [2,0,0,0,0,0|0,0,1]=3 43 B4R0.2 C=C\C=C/C 7414AL [2,0,0,0,0,0|0,0,1]=3 44 B4R0.2 CCC=NO 0148AQ [2,0,0,0,0,0|1,0,1]=4 45 B4R0.2 CCSCC E138 [2,0,0,0,0,0|1,0,1]=4 46 B4R0.2 C\C=C/CO 5583AB [2,0,0,0,0,0|0,0,1]=3 47 B4R0.2 C\C=C\CBr 8491AJ [2,0,0,0,0,0|1,0,0]=3 48 B6R0.1 COC(=O)NC=O 3236AB [1,1,0,0,0,0|2,0,0]=4 49 B6R0.4 CC(C)=CCCO 1893AC [1,1,0,0,0,0|0,0,2]=4 50 B6R0.4 CCCC[Sn](=O)O 8518AL [1,1,0,0,0,0|1,0,1]=4 51 B6R0.4 C\C=C\CC(=O)O 6149AL [1,1,0,0,0,0|0,0,0]=2 52 B8R0.1 CCOC(=O)CCC=O Y1687 [0,2,0,0,0,0|0,0,1]=3 53 B8R0.4 O=CCCCCCC=O 7540AB [0,2,0,0,0,0|0,0,2]=4 54 B8R0.4 O=CCCCCCCBr 3685AJ [0,2,0,0,0,0|0,0,2]=4 55 B8R0.6 COC(=O)CCNC=O 4147AB [0,2,0,0,0,0|1,0,1]=4 56 B8R0.3 CCOC(=O)C(C)C=O X5962 [0,2,0,0,0,0|1,0,0]=3 57 B8R0.8 CCCOC(C)C(=O)O 5764AE [0,2,0,0,0,0|1,0,1]=4 58 B8R0.5 CCOC(=O)CC(=N)N 6966AB [0,2,0,0,0,0|2,0,0]=4 59 B8R0.21 CCC\C=C\C(C)(C)C 9196AL [0,2,0,0,0,0|1,0,1]=4 60 B8R0.28 CC(=O)C\C=C\C(=O)O 7022AA [0,2,0,0,0,0|1,0,1]=4 61 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [0,2,0,0,0,0|1,0,1]=4 62 B6R1.2 CC1=CCCO1 0728AQ [1,0,0,1,0,0|0,0,2]=4 63 B6R1.2 CC1=CNC=C1 W7383 [1,0,0,1,0,0|1,0,1]=4 64 B6R1.2 CC1=COC=C1 X5961 [1,0,0,1,0,0|1,0,1]=4 65 B6R1.4 NC1CCC1=O V9854 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.2 COC1C=CCCC1 6080AL [0,1,0,1,0,0|1,0,1]=4 67 B8R1.2 NCC1CCC=CO1 2289AL [0,1,0,1,0,0|1,0,1]=4 68 B8R1.2 O=CC1CCNCC1 Y9263 [0,1,0,1,0,0|0,0,2]=4 69 B8R1.5 NC1CCCCC1=O Y8332 [0,1,0,1,0,0|0,0,2]=4 70 B8R1.5 N[C@@H]1CC=CC[C@H]1N 0209AQ [0,1,0,1,0,0|1,0,1]=4 71 B8R1.5 O=C1CCCC=C1I 2099AL [0,1,0,1,0,0|0,0,2]=4 72 B8R1.5 O=C1CCCCC1F Z5041 [0,1,0,1,0,0|0,0,2]=4 73 B8R1.8 BrCCC1=CC=CO1 1031AJ [0,1,0,1,0,0|0,0,2]=4 74 B8R1.8 CNCC1=CNC=N1 0737AD [0,1,0,1,0,0|2,0,0]=4 75 B8R1.8 O=CCC1OCCO1 5104AC [0,1,0,1,0,0|1,0,1]=4 76 B8R1.8 O=CCN1C=CC=N1 6960AC [0,1,0,1,0,0|1,0,1]=4 77 B8R1.11 CC1=C(C=O)NC=C1 1713AB [0,1,0,1,0,0|0,0,2]=4 78 B8R1.11 CCC1=C(C)N=CS1 3502AB [0,1,0,1,0,0|1,1,0]=4 79 B8R1.11 CCC1=CNN=C1N Q798 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.22 O=C1COCCCN1 1535AL [0,1,0,1,0,0|1,0,1]=4 81 B8R1.49 C1=CCCC=CCC1 3897AA [0,1,0,1,0,0|1,0,0]=3 82 B8R1.49 C1=CCCC=CCC1 4304AA [0,1,0,1,0,0|1,0,0]=3 83 B8R1.49 C1=CCCC=CCC1 5996AA [0,1,0,1,0,0|1,0,0]=3 84 B8R1.49 C1=CCCC=CCC1 6196AH [0,1,0,1,0,0|1,0,0]=3 85 B8R1.1 CCC1=CSC(Br)=N1 Y4584 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.1 CCN1CCC(=O)C1 0571AA [0,1,0,1,0,0|1,0,1]=4 87 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 V0972 [0,1,0,1,0,0|0,0,2]=4 88 B8R1.3 O=C1COC(=O)CN1 3606AL [0,1,0,1,0,0|2,0,0]=4 89 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,1,0,1,0,0|0,0,2]=4 90 B8R1.4 CN1CCC=C(Br)C1 1699AE [0,1,0,1,0,0|2,0,0]=4 91 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [0,1,0,1,0,0|1,0,1]=4 92 B8R1.4 O=C1CCNC(=O)O1 9268AH [0,1,0,1,0,0|2,0,0]=4 93 B8R1.4 O=C1CNCC(=O)C1 4462AJ [0,1,0,1,0,0|1,0,1]=4 94 B8R1.7 CC(=O)[C@@H]1CCCO1 5805AA [0,1,0,1,0,0|1,0,1]=4 95 B8R1.7 CC(=O)[C@H]1CCCO1 0229AC [0,1,0,1,0,0|1,0,1]=4 96 B8R1.7 CC(C)C1=CN=CS1 8424AA [0,1,0,1,0,0|1,1,0]=4 97 B8R1.7 CC(N)C1=CN=CO1 3478AB [0,1,0,1,0,0|1,0,1]=4 98 B8R1.7 CC(N)C1=CNC=N1 9364AH [0,1,0,1,0,0|2,0,0]=4 99 B8R1.7 O=C(O)[C@@H]1C=CCN1 Z1675 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.31 CC1CCC1C(=O)O 5817AB [0,1,0,1,0,0|0,0,2]=4 101 B8R1.34 CC(=O)C=C1CCC1 0333AC [0,1,0,1,0,0|0,0,2]=4 102 B8R1.34 O=C(O)CN1CCC1 1240AJ [0,1,0,1,0,0|1,0,1]=4 103 B8R1.34 O=C(O)CN1CCC1 9681AH [0,1,0,1,0,0|1,0,1]=4 104 B8R1.18 CC1SC(=O)NC1=O 4891AB [0,1,0,1,0,0|2,0,0]=4 105 B8R2.25 C1=CCC2OC2C1 0117AP [0,0,0,2,0,0|0,0,2]=4