0 B5R0.2 C#CCCCI F8885-4128 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 CCCCC#N F0001-0220 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 CCCCC=O F2190-0583 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.2 CCCCCO F0001-1831 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.2 CCCCNN F2169-0384 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.2 CCOCCCl F0001-1693 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.2 CCSCCN F2147-1017 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.2 CNCCOC F0001-1089 [0,0,0,0,0,0|2,1,0]=3 8 B5R0.2 ICCCCI F0001-1692 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.2 N#CCCCBr F0001-1378 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 CCCCCl F0001-0200 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.2 CSCCN F2191-0292 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.1 COC(C)CCO F0001-0848 [0,1,0,0,0,0|0,1,2]=4 13 B6R0.4 C#CCCC(=O)O F1913-1832 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.4 CCCCB(O)O F0001-1206 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.4 CN(C)CCNN F2169-0397 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.4 CN(C)\C=C\C=O F0001-2230 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.4 CNCCN(C)C F0001-0495 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.4 CSCCC(C)=O F0001-0996 [0,1,0,0,0,0|0,0,0]=1 19 B6R0.4 N#CCCC(=O)O F8884-9159 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.4 NC(=O)NCCO F1019-0075 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.6 CCCCCCC F1908-0180 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.6 CCCCN=C=S F1915-0013 [0,1,0,0,0,0|1,1,1]=4 23 B6R0.6 CCNCCNC F2147-1525 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.6 OCCCCCO F0001-0238 [0,1,0,0,0,0|1,0,2]=4 25 B6R1.1 C1=CCNCC1 F8889-0743 [0,0,0,1,0,0|2,0,0]=3 26 B6R1.1 C1CCOCC1 F0001-0499 [0,0,0,1,0,0|1,0,2]=4 27 B6R1.2 CC1CCNC1 F8887-6193 [0,0,0,1,0,0|2,0,1]=4 28 B6R1.2 IC1CCCC1 F0001-0550 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.2 O=C1NCCN1 F0001-0353 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.3 CNCC1CC1 F2158-1936 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.6 NNC1CCC1 F2135-1119 [0,0,0,1,0,0|3,0,0]=4 32 B3R0.1 CCNC F2158-0955 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.1 CC(C)CC#N F0001-1677 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.1 COCC(C)N F2190-0371 [1,1,0,0,0,0|0,1,1]=4 35 B5R0.1 COCC(N)=S F8881-7845 [1,1,0,0,0,0|0,2,0]=4 36 B5R0.3 C#CC(O)CC F0001-1172 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.2 CCC(=O)CC(C)=O F8880-5203 [0,2,0,0,0,0|1,0,1]=4 38 B7R0.2 CNC(=O)CC(C)=O F0001-0716 [0,2,0,0,0,0|1,0,1]=4 39 B7R0.2 COC(=O)CC(C)=O F0001-0105 [0,2,0,0,0,0|0,1,1]=4 40 B7R0.5 C#CCC(N)C(=O)O F8881-1986 [0,2,0,0,0,0|1,0,1]=4 41 B7R0.5 C=CCC(N)C(=O)O F8881-3848 [0,2,0,0,0,0|1,0,1]=4 42 B7R0.5 NC(CCO)C(=O)O F2127-0018 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.4 C=CCCCC(=O)O F1913-3310 [0,2,0,0,0,0|1,0,1]=4 44 B7R0.4 CC(C)CCON=O F0001-0219 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.4 CCCCCC(=O)Cl F0001-0498 [0,2,0,0,0,0|1,0,0]=3 46 B7R0.6 CC(C)SCC(=O)O F3249-0157 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.1 C=CCCCCCCl F0001-2234 [0,2,0,0,0,0|2,0,0]=4 48 B5R1.2 FC1CNC1 F2148-2176 [1,0,0,1,0,0|2,0,0]=4 49 B5R1.2 O=C1CSC1 F2147-0949 [1,0,0,1,0,0|0,0,0]=2 50 B7R1.2 O=C1CCC(=O)C1 F0001-1098 [0,1,0,1,0,0|1,0,0]=3 51 B7R1.2 O=C1CNC(=O)C1 F2147-2476 [0,1,0,1,0,0|1,0,1]=4 52 B7R1.2 O=C1CSC(=S)N1 F0255-0005 [0,1,0,1,0,0|1,0,1]=4 53 B7R1.3 C=C1CCNCC1 F8888-3171 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.3 O=C1COCCN1 F8889-4140 [0,1,0,1,0,0|0,1,0]=3 55 B7R1.4 CC1CCCC1=O F9995-1299 [0,1,0,1,0,0|1,0,0]=3 56 B7R1.10 O=C1CC(CBr)C1 F2147-4325 [0,1,0,1,0,0|2,0,0]=4 57 B7R1.18 CC(=O)C1CCC1 F0001-0928 [0,1,0,1,0,0|1,0,0]=3 58 B7R1.18 NC(=O)C1CCC1 F1913-0022 [0,1,0,1,0,0|1,0,0]=3 59 B7R1.18 NC(=O)C1CNC1 F2158-1524 [0,1,0,1,0,0|1,0,0]=3