0 B12R0.5 C=CCCCCCCCCCCC 4969AL [0,0,0,0,0,0|1,0,1]=2 1 B12R0.5 CCCCCCCCCCN=C=S 8249AD [0,0,0,0,0,0|1,0,2]=3 2 B12R0.5 CCCCCCCCC\C=C\CO 9203AL [0,0,0,0,0,0|0,1,2]=3 3 B12R0.5 NCCCCCCCCCCCN 5916AF [0,0,0,0,0,0|2,0,0]=2 4 B11R0.3 C#CCCCCCCCCCO E596 [1,0,0,0,0,0|0,1,2]=4 5 B11R0.3 CCCCC#CCCCCCC 6768AL [1,0,0,0,0,0|0,0,2]=3 6 B11R0.3 CCCCCCCCCCC#N 5901AF [1,0,0,0,0,0|1,0,1]=3 7 B11R0.3 CCCCCCCCNCCN 5469AB [1,0,0,0,0,0|2,0,0]=3 8 B11R0.3 CCCCCCCCOCCO 4872AH [1,0,0,0,0,0|1,1,0]=3 9 B13R0.2 CCOC(=O)CCCCCCCCBr 7869AL [0,1,0,0,0,0|2,0,1]=4 10 B13R0.54 CCCCCCCCCCCC(C)N 3732AD [0,1,0,0,0,0|1,0,0]=2 11 B13R0.54 CCCCCCCCCCCC(C)O 5802AL [0,1,0,0,0,0|0,1,0]=2 12 B13R0.54 CCCCCCCCCCCC(N)=O 6046AF [0,1,0,0,0,0|0,1,1]=3 13 B13R0.165 CCCCCCC(=O)CCCCCC 6055AH [0,1,0,0,0,0|1,0,1]=3 14 B13R0.336 C=CCCCCCCCCCCC=C 4351AL [0,1,0,0,0,0|1,0,2]=4 15 B13R0.336 CCCCCCC#CCCCCCC 6897AL [0,1,0,0,0,0|1,0,1]=3 16 B13R0.336 CCCCCCCCCCCCC#N 9273AL [0,1,0,0,0,0|1,0,0]=2 17 B13R0.336 CCCCCCCCCCCCC=O 9272AL [0,1,0,0,0,0|0,1,0]=2 18 B13R0.336 CCCCCCCCCCCCNC 7567AH [0,1,0,0,0,0|1,0,0]=2 19 B13R0.336 CCCCCC\C=C\CCCCCC 6896AL [0,1,0,0,0,0|1,0,1]=3 20 B13R0.336 NCCCCCCCCCCCCO 4725AL [0,1,0,0,0,0|0,1,0]=2 21 B13R0.336 NCCCNCCCCNCCCN 9001AL [0,1,0,0,0,0|3,0,0]=4 22 B13R1.654 CCCCCCCC1CCCC1=O 6542AA [0,0,0,1,0,0|0,1,1]=3 23 B13R1.1150 N#CCCNC1CCCCCCC1 7008AD [0,0,0,1,0,0|2,0,1]=4 24 B10R0.71 CCC#CCCCCCCC 6167AL [2,0,0,0,0,0|0,0,2]=4 25 B10R0.71 CCCCCCCCCCC U203 [2,0,0,0,0,0|0,0,0]=2 26 B10R0.71 CCCCCNCCCCC 7593AL [2,0,0,0,0,0|1,0,0]=3 27 B10R0.71 CCCCCSCCCCC 5783AF [2,0,0,0,0,0|1,0,0]=3 28 B10R0.71 ClCCCCCCCCCCl Z5156 [2,0,0,0,0,0|2,0,0]=4 29 B10R0.71 OCCCCCCCCCCl 7136AB [2,0,0,0,0,0|1,1,0]=4 30 B12R0.206 CCCCCCCC(=O)CCCC 6040AF [1,1,0,0,0,0|0,0,1]=3 31 B12R0.234 CCCCCCCCCCC(C)O 5599AL [1,1,0,0,0,0|0,0,0]=2 32 B12R0.234 CCCCCCCCCOC(C)=O 5905AF [1,1,0,0,0,0|1,0,1]=4 33 B12R0.248 OCCCCCCCCC(O)CO 4382AL [1,1,0,0,0,0|1,1,0]=4 34 B14R0.88 CC(C)(C)CCCCCCCCCCS 9043AL [0,2,0,0,0,0|0,0,0]=2 35 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] 8969AL [0,2,0,0,0,0|1,1,0]=4 36 B14R0.337 CCCCCCCCCCCC(=O)CC 6163AL [0,2,0,0,0,0|1,0,0]=3 37 B14R0.337 CCCCCCCCCCCC(=O)NC 8601AL [0,2,0,0,0,0|0,1,1]=4 38 B14R0.337 COC(=O)CCCCCCCCCCBr 8216AL [0,2,0,0,0,0|1,0,1]=4 39 B14R0.394 CCCCCCCCCCCCB(O)O X0697 [0,2,0,0,0,0|0,1,0]=3 40 B14R0.394 CCCCCCCCCCCCS(C)=O 1375AQ [0,2,0,0,0,0|0,0,1]=3 41 B14R0.394 O=C(O)CCCCCCCCCCCO W6586 [0,2,0,0,0,0|0,1,1]=4 42 B14R0.145 CCCCCCCC(O)CCCCCC 6895AL [0,2,0,0,0,0|1,0,0]=3 43 B14R0.145 CCCCCCOC(=O)CCCCCN 6848AL [0,2,0,0,0,0|1,0,1]=4 44 B14R0.392 CCCCCCCCCCCCCCC V0208 [0,2,0,0,0,0|1,0,0]=3 45 B14R0.392 CCCCCCCCCCCCCCF 8905AE [0,2,0,0,0,0|1,0,0]=3 46 B14R0.392 CCCCCCCCCCCCCCS 7741AJ [0,2,0,0,0,0|0,0,0]=2 47 B14R0.392 CCCCCCCCCCCCN=C=S 8396AC [0,2,0,0,0,0|0,0,1]=3 48 B14R0.392 OCCCCCCCCCCCCCBr 1555AL [0,2,0,0,0,0|0,1,0]=3 49 B14R0.392 OCCCCCCCCCCCCCO 6104AA [0,2,0,0,0,0|0,1,0]=3 50 B12R1.8 CCNCCNC1CCCCC1 2900AE [1,0,0,1,0,0|2,0,0]=4 51 B12R1.1414 CCNCCN1CCCCCC1 5562AE [1,0,0,1,0,0|2,0,0]=4 52 B12R1.1414 CNCCCN1CCCCCC1 3756AF [1,0,0,1,0,0|2,0,0]=4 53 B14R1.4408 O=C1CCCCCCCCCCCO1 1382AQ [0,1,0,1,0,0|0,1,1]=4 54 B14R1.123 CCCCCCCCN1CCNCC1 0707AQ [0,1,0,1,0,0|2,0,0]=4 55 B14R1.247 O=C1CCCCCCCCCCC1Cl 5570AL [0,1,0,1,0,0|0,1,1]=4 56 B14R1.62 CCCCCCCC1CCC\C1=N/O Y7744 [0,1,0,1,0,0|0,1,1]=4 57 B14R1.2874 C1CSCCSCCCSCCSC1 1762AB [0,1,0,1,0,0|2,0,0]=4 58 B14R2.24 O=C1CCCCC1C2CCCCC2 6010AF [0,0,0,2,0,0|0,1,1]=4 59 B14R2.30 CN1CCC[C@H]1CC2CCCCN2 4176AL [0,0,0,2,0,0|2,0,0]=4 60 B14R2.101 C1CCC(CCN2CCCC2)NC1 8277AE [0,0,0,2,0,0|2,0,0]=4 61 B14R2.101 C1CCC(CCN2CCCC2)NC1 8385AD [0,0,0,2,0,0|2,0,0]=4