0 B8R0.8 C=C(C)C(=O)OCCN 1927AC [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 CCCCC(C)C(C)O 7994AF [0,0,0,0,0,0|2,0,1]=3 2 B7R0.3 C=CCOC(=O)CC 7475AF [1,0,0,0,0,0|1,0,2]=4 3 B7R0.3 CCCCC(N)CC 7820AF [1,0,0,0,0,0|1,0,1]=3 4 B7R0.3 CCCOC(=O)CCl U589 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.3 CCCOC(=O)CN 3440AL [1,0,0,0,0,0|2,0,0]=3 6 B7R0.3 CC\C=C\C(=O)OC Y2122 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.3 COC(=O)CCCO 3568AL [1,0,0,0,0,0|2,0,0]=3 8 B7R0.3 C\C=C(/C)CCCC 6098AL [1,0,0,0,0,0|1,0,1]=3 9 B7R0.4 CC(C)CCCCCl 3854AB [1,0,0,0,0,0|1,0,1]=3 10 B7R0.4 CCCCCC(C)N 5131AF [1,0,0,0,0,0|1,0,1]=3 11 B7R0.4 CCC\C=C\C(C)C 7959AF [1,0,0,0,0,0|0,0,1]=2 12 B7R0.4 N[C@@H](C)CCCCC Z2154 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.5 CCCC(=O)C(=O)[O-] 7377AF [1,0,0,0,0,0|2,0,1]=4 14 B7R0.5 CCOC(=O)[C@H](C)Cl 9674AJ [1,0,0,0,0,0|2,0,0]=3 15 B9R0.6 CCCC(O)C(C)C(C)O 7997AF [0,1,0,0,0,0|2,0,1]=4 16 B9R0.7 CC(C)C(=O)CCC(=O)O 2968AE [0,1,0,0,0,0|1,0,1]=3 17 B9R0.7 CC(C)COC(=O)C(C)O R139 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.7 CC(C)COC(=O)[C@H](C)Cl R141 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.47 CCCCCC(=O)C(C)=O 7941AF [0,1,0,0,0,0|1,0,1]=3 20 B9R0.47 CCCCOC(=O)C(C)=O P531 [0,1,0,0,0,0|1,0,1]=3 21 B9R1.5 O=C1CCCCCC1Br 9448AE [0,0,0,1,0,0|1,0,0]=2 22 B9R1.6 CC(=O)C1=NCCCC1 2565AB [0,0,0,1,0,0|2,0,1]=4 23 B9R1.6 CC(C)N1CCNCC1 9539AH [0,0,0,1,0,0|3,0,0]=4 24 B9R1.6 CC(C)N1CCNCC1 V2678 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.6 CC(C)[C@@H]1CNCCN1 W4351 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.69 CC1CN(C)CCC1N 3230AB [0,0,0,1,0,0|2,0,1]=4 27 B6R0.1 CCCC(N)CC 7574AF [2,0,0,0,0,0|1,0,1]=4 28 B6R0.1 CCOC(=O)CF C411 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.1 COC(=O)CCN 5700AB [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 CC(C)=CCCBr 1398AB [2,0,0,0,0,0|1,0,1]=4 31 B6R0.4 CC\C=C\C(C)=O Y8265 [2,0,0,0,0,0|0,0,2]=4 32 B6R0.4 CN(C)CCCBr 7713AB [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 CNCCC(C)C 5617AB [2,0,0,0,0,0|1,0,0]=3 34 B6R0.4 CNCC[C@H](C)N 9254AH [2,0,0,0,0,0|2,0,0]=4 35 B6R0.6 CCCCCCF 7535AF [2,0,0,0,0,0|1,0,1]=4 36 B6R0.3 COC(=O)C(C)N X3707 [2,0,0,0,0,0|2,0,0]=4 37 B8R0.1 CCC#CC(=O)OCC X3933 [1,1,0,0,0,0|0,0,2]=4 38 B8R0.1 CCCC(=O)OCSC Y1950 [1,1,0,0,0,0|2,0,0]=4 39 B8R0.1 CCCCN(C)CCN 6559AD [1,1,0,0,0,0|2,0,0]=4 40 B8R0.3 CCNC(C)C(=O)OC 4206AJ [1,1,0,0,0,0|2,0,0]=4 41 B8R0.6 CCCCCC(=O)SC U833 [1,1,0,0,0,0|1,0,0]=3 42 B8R0.6 CCCCOC(=O)C=O 3194AL [1,1,0,0,0,0|1,0,1]=4 43 B8R0.9 CCC(C)CCC(C)C 5380AL [1,1,0,0,0,0|1,0,1]=4 44 B8R0.11 CCCCN(CC)CC 6126AB [1,1,0,0,0,0|2,0,0]=4 45 B8R0.7 CCCCCCC(C)I 7978AF [1,1,0,0,0,0|1,0,1]=4 46 B8R0.7 CCCC\C=C\C(C)O 6145AL [1,1,0,0,0,0|1,0,0]=3 47 B8R0.21 CCCCCC(C)(C)O 7992AF [1,1,0,0,0,0|0,0,1]=3 48 B8R0.28 CC(C)C[AlH4]CC(C)C M307 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.2 CCC(C)C(O)C(C)C 7990AF [1,1,0,0,0,0|0,0,2]=4 50 B10R0.44 CCC(C)OC(=S)CC(C)C U834 [0,1,0,0,0,1|1,1,0]=4 51 B10R0.5 CC(CCCCN)C(C)(C)N 1419AQ [0,2,0,0,0,0|1,0,1]=4 52 B10R0.84 CC(C)C\C=C(\C=O)C(C)C I230 [0,2,0,0,0,0|0,0,1]=3 53 B10R0.75 CCCCCCC(=O)C(C)C 5761AF [0,2,0,0,0,0|0,0,0]=2 54 B8R1.1 O=C1C[C@H](CF)CO1 2632AC [1,0,0,1,0,0|2,0,0]=4 55 B8R1.2 CCC1=NCCCC1 Y7557 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.2 CC[C@H]1CCCCN1 1287AL [1,0,0,1,0,0|1,0,1]=4 57 B8R1.3 CC1CCN(N)CC1 4385AJ [1,0,0,1,0,0|2,0,0]=4 58 B8R1.3 NC1CCC(=O)CC1 X7969 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.5 CC1CCNCC1=O 2896AJ [1,0,0,1,0,0|1,0,0]=3 60 B8R1.5 C[C@@H]1CCCC[C@H]1N M973 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.5 C[C@H]1CCCC[C@H]1N 3932AJ [1,0,0,1,0,0|1,0,1]=4 62 B8R1.5 O=C1CCOCC1Br 4586AF [1,0,0,1,0,0|2,0,0]=4 63 B8R1.5 O=C1CCOCC1Cl 2253AJ [1,0,0,1,0,0|2,0,0]=4 64 B8R1.22 O=C1CCCCCN1 X5632 [1,0,0,1,0,0|1,0,0]=3 65 B8R1.22 O=S1CCCNCC1 1742AA [1,0,0,1,0,0|2,0,0]=4 66 B8R1.50 CC1CCC(=O)N1C 0337AQ [1,0,0,1,0,0|1,0,0]=3 67 B8R1.4 C[C@@H]1CN(C)CCN1 8937AH [1,0,0,1,0,0|2,0,0]=4 68 B8R1.4 C[C@@H]1CNC[C@H](C)C1 3935AJ [1,0,0,1,0,0|1,0,1]=4 69 B8R1.7 CC(C)N1CCCC1 5860AD [1,0,0,1,0,0|1,0,0]=3 70 B8R1.7 C[C@@H](N)C1CCCC1 8945AH [1,0,0,1,0,0|1,0,1]=4 71 B8R1.35 CC(C)CNC1CC1 7165AJ [1,0,0,1,0,0|1,0,1]=4 72 B8R1.36 CCCCC[C@H]1CO1 Y9615 [1,0,0,1,0,0|1,0,1]=4 73 B8R1.72 CC1(C)CCCCN1 1327AJ [1,0,0,1,0,0|1,0,0]=3 74 B8R1.72 C[Si]1(C)CCCCC1 7819AF [1,0,0,1,0,0|0,1,1]=4 75 B10R1.15 CC(CO)C1CCCCC1 7863AB [0,1,0,1,0,0|1,0,1]=4 76 B10R1.176 CN1CCC(CO)CC1=O 7090AD [0,1,0,1,0,0|2,0,0]=4 77 B10R2.61 O=C1NC2CCCN1C2 X4625 [0,0,0,2,0,0|2,0,0]=4