0 B10R0.4 CCCCCCCCC(=O)O BB_SC-07262 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.4 CCCCCCCCN(C)C BB_SC-06667 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.2 CCCCCCCC(=O)Cl BB_SC-06812 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.2 CCCCCCCC(C)=O BB_SC-06918 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.45 CCCCCCCCCBr BB_SC-09432 [1,0,0,0,0,0|1,0,1]=3 5 B9R0.45 CCCCCCCCCI BB_SC-06636 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.45 CCCCCCCCCN BB_SC-05554 [1,0,0,0,0,0|1,0,1]=3 7 B9R0.45 NCCCCCCCCN BB_SC-12384 [1,0,0,0,0,0|2,0,1]=4 8 B11R0.30 O=C(O)CCCCCCC(=O)O BB_NC-00423 [0,1,0,0,0,0|1,0,1]=3 9 B11R0.148 CCCCCCCCCC(=O)Cl BB_SC-06896 [0,1,0,0,0,0|1,0,0]=2 10 B11R0.148 CCCCCCCCCC(C)=O BB_SC-06944 [0,1,0,0,0,0|1,0,0]=2 11 B11R0.148 CCCCCCCCOC(C)=O BB_SC-07242 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.27 CCCCCC1CCC(=O)O1 BB_NC-02032 [0,0,0,1,0,0|0,0,0]=1 13 B11R1.90 O=C(O)CCN1CCCC1=O BB_SC-09704 [0,0,0,1,0,0|2,0,1]=4 14 B11R1.91 O=C(O)CCC1CCCCC1 BB_SC-07211 [0,0,0,1,0,0|0,0,0]=1 15 B11R1.91 O=C(O)CCN1CCCCC1 BB_SC-06616 [0,0,0,1,0,0|1,0,0]=2 16 B11R1.91 O=C(O)CCN1CCNCC1 BB_SC-09346 [0,0,0,1,0,0|2,0,0]=3 17 B11R1.91 O=C(O)CCN1CCOCC1 BB_SC-07723 [0,0,0,1,0,0|2,0,0]=3 18 B11R1.91 O=C(O)CNC1=NCCCC1 BB_SC-10438 [0,0,0,1,0,0|2,0,1]=4 19 B11R1.172 O=C(O)CCNC1=NCCC1 BB_SC-10183 [0,0,0,1,0,0|2,0,1]=4 20 B11R1.172 O=C(O)COCC1CCCO1 BB_SC-10827 [0,0,0,1,0,0|2,0,0]=3 21 B11R1.742 O=C(O)CN1CCCCCC1 BB_SC-05921 [0,0,0,1,0,0|1,0,0]=2 22 B8R0.4 CCCCCCCCCl BB_SC-07057 [2,0,0,0,0,0|1,0,0]=3 23 B8R0.4 CCCCCCCCI BB_SC-06637 [2,0,0,0,0,0|1,0,0]=3 24 B8R0.4 CCCCNCCCC BB_SC-07063 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.7 CCCCCCC(C)=O BB_SC-06900 [2,0,0,0,0,0|1,0,0]=3 26 B8R0.7 O=C(O)CCCCCBr BB_SC-07210 [2,0,0,0,0,0|1,0,0]=3 27 B10R0.74 CCCCCCCC(=O)OC BB_SC-07043 [1,1,0,0,0,0|0,0,0]=2 28 B10R0.75 CCCCCCC(N)C(=O)O BB_NC-02238 [1,1,0,0,0,0|0,0,0]=2 29 B10R0.71 CCCCCCCCCCBr BB_SC-06685 [1,1,0,0,0,0|1,0,1]=4 30 B10R0.71 CCCCCNCCCCC BB_SC-06969 [1,1,0,0,0,0|1,0,1]=4 31 B12R0.1 CCCCC\C=C\CC(=O)OCC BB_SC-12714 [0,2,0,0,0,0|0,0,2]=4 32 B12R0.248 C=CCCCCCCCC(=O)OC BB_NC-00447 [0,2,0,0,0,0|0,0,1]=3 33 B12R0.234 C=CCCCCCCCCC(=O)O BB_NC-01380 [0,2,0,0,0,0|0,0,0]=2 34 B12R0.234 CC#CCCCCCCCC(=O)O BB_NC-01026 [0,2,0,0,0,0|0,0,0]=2 35 B12R0.234 CCCCCCCCCOC(=S)[S-] BB_SC-00270 [0,2,0,0,0,0|0,2,0]=4 36 B10R1.18 O=C(O)CN1CCCCC1 BB_SC-00712 [1,0,0,1,0,0|1,0,0]=3 37 B10R1.18 O=C(O)CN1CCOCC1 BB_SC-00711 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.66 O=C(Cl)CCC1CCCC1 BB_SC-06571 [1,0,0,1,0,0|1,0,0]=3 39 B10R1.66 O=C(O)CCN1CCCC1 BB_SC-07720 [1,0,0,1,0,0|1,0,0]=3 40 B12R1.7 CCCCCCC1CCC(=O)O1 BB_NC-02031 [0,1,0,1,0,0|0,0,0]=2 41 B12R1.107 CN(CC(=O)O)C1CCCCC1 BB_SC-09937 [0,1,0,1,0,0|1,0,0]=3 42 B12R1.27 COC(=O)CCN1CCCCC1 BB_SC-07722 [0,1,0,1,0,0|1,0,0]=3 43 B12R1.27 COC(=O)CCN1CCOCC1 BB_SC-07724 [0,1,0,1,0,0|2,0,0]=4 44 B12R1.43 CC(CN1CCCCC1)C(=O)O BB_SC-02753 [0,1,0,1,0,0|1,0,0]=3 45 B12R1.43 CC(CN1CCOCC1)C(=O)O BB_SC-02751 [0,1,0,1,0,0|2,0,0]=4 46 B12R1.210 O=C(O)CN1CCCCCC1=O BB_SC-05315 [0,1,0,1,0,0|1,0,1]=4 47 B12R1.1343 O=C(O)CCN1CCCCCC1 BB_SC-07726 [0,1,0,1,0,0|0,0,0]=2 48 B12R1.1343 O=C(O)CNC1=NCCCCC1 BB_NC-02584 [0,1,0,1,0,0|1,0,1]=4 49 B12R1.21 CC1CCN(CCC(=O)O)CC1 BB_SC-03237 [0,1,0,1,0,0|1,0,0]=3 50 B12R1.21 CN1CCN(CCC(=O)O)CC1 BB_SC-00702 [0,1,0,1,0,0|2,0,0]=4 51 B12R1.125 O=C(O)CCC1CCCCC1=O BB_SC-05936 [0,1,0,1,0,0|0,0,1]=3 52 B12R1.252 O=C(O)CCCN1CCCCC1 BB_SC-08470 [0,1,0,1,0,0|0,0,0]=2 53 B12R1.252 O=C(O)CCCN1CCOCC1 BB_SC-07840 [0,1,0,1,0,0|1,0,0]=3 54 B12R1.28 CCCCCC1CCCC(=O)O1 BB_NC-02029 [0,1,0,1,0,0|0,0,0]=2 55 B12R1.130 O=C(O)CCCN1CCCC1=O BB_SC-03707 [0,1,0,1,0,0|1,0,1]=4 56 B12R1.255 O=C(O)CCCCC1CCSS1 BB_NC-01525 [0,1,0,1,0,0|1,0,0]=3 57 B12R2.2028 [C@H]12CCCC[C@H]1C(=O)OC2=O BB_SC-06439 [0,0,0,2,0,0|1,0,1]=4 58 B12R2.1661 O=C(O)CC1CC2CCC1C2 BB_SC-05590 [0,0,0,2,0,0|0,0,0]=2