0 B14R0.392 CCCCCCCCCCCCCCBr 424675 [0,0,0,0,0,0|1,0,1]=2 1 B14R0.392 CCCCCCCCCCCCCCC 104591 [0,0,0,0,0,0|1,0,1]=2 2 B14R0.392 CCCCCCCCCCCCCCCl 242579 [0,0,0,0,0,0|1,0,1]=2 3 B14R0.392 CCCCCCCCCCCCCCN 102292 [0,0,0,0,0,0|1,0,1]=2 4 B14R0.392 CCCCCCCCCCCCCCO 240945 [0,0,0,0,0,0|0,0,2]=2 5 B14R0.392 CCCCCCCCCCCCN=C=S 008926 [0,0,0,0,0,0|1,1,1]=3 6 B14R0.392 NCCCCCCNCCCCCCN 105734 [0,0,0,0,0,0|3,0,1]=4 7 B13R0.336 BrCCCCCCCCCCCCBr 235574 [1,0,0,0,0,0|2,0,0]=3 8 B13R0.336 CCCCCCCCCCCCCC 240111 [1,0,0,0,0,0|0,0,1]=2 9 B13R0.336 CCCCCCCCCCCCSC 098356 [1,0,0,0,0,0|1,0,1]=3 10 B13R0.336 CCCCCC\C=C\CCCCCC 099796 [1,0,0,0,0,0|0,0,3]=4 11 B13R0.336 NCCCCCCCCCCCCN 242589 [1,0,0,0,0,0|2,0,0]=3 12 B13R0.336 OCCCCCCCCCCCCBr 041026 [1,0,0,0,0,0|1,0,1]=3 13 B13R0.336 OCCCCCCCCCCCCO 040537 [1,0,0,0,0,0|1,0,1]=3 14 B15R0.70 C=CCCCCCCCCCCCCCC 105501 [0,1,0,0,0,0|1,0,0]=2 15 B15R0.70 CCCCCCCCCCCCCCCC 104402 [0,1,0,0,0,0|1,0,1]=3 16 B15R0.70 CNCCCCCCCCCCCCNC 033969 [0,1,0,0,0,0|2,0,0]=3 17 B15R0.133 CCCCCCCC(O)CCCCCCC 181201 [0,1,0,0,0,0|1,0,1]=3 18 B15R0.164 CCCCCCCCCCCCCC(=O)Cl 099087 [0,1,0,0,0,0|0,0,0]=1 19 B15R0.164 CCCCCCCCCCCCCC(=O)O 241293 [0,1,0,0,0,0|0,0,0]=1 20 B15R0.164 CCCCCCCCCCCCCC(C)=O 228741 [0,1,0,0,0,0|0,0,0]=1 21 B15R0.164 CCCCCCCCCCCCNC(C)=O 181180 [0,1,0,0,0,0|1,0,0]=2 22 B15R0.164 CCCCCCCCCCCCOC(=O)Cl 242582 [0,1,0,0,0,0|1,0,0]=2 23 B15R1.3873 S=C=NC1CCCCCCCCCCC1 008782 [0,0,0,1,0,0|1,1,1]=4 24 B12R0.5 CCCCCCCCCCCC=O 099711 [2,0,0,0,0,0|0,0,0]=2 25 B12R0.5 CCCCCCCCCCCCBr BR1063 [2,0,0,0,0,0|1,0,0]=3 26 B12R0.5 CCCCCCCCCCCCC 242173 [2,0,0,0,0,0|0,0,0]=2 27 B12R0.5 CCCCCCCCCCCCCl 103779 [2,0,0,0,0,0|1,0,0]=3 28 B12R0.5 CCCCCCCCCCCCN 358344 [2,0,0,0,0,0|1,0,0]=3 29 B12R0.5 CCCCCCCCCCCCO 358252 [2,0,0,0,0,0|0,0,1]=3 30 B12R0.5 CCCCCCCCCCCCS 095002 [2,0,0,0,0,0|0,1,0]=3 31 B12R0.5 CCCCCCCCC\C=C\C=O 106698 [2,0,0,0,0,0|0,0,2]=4 32 B12R0.5 CCCCCCCCNCCCC 105074 [2,0,0,0,0,0|1,0,0]=3 33 B12R0.5 CCCCCCCCNCCCN 105080 [2,0,0,0,0,0|2,0,0]=4 34 B12R0.5 CCCCCCNCCCCCC 336045 [2,0,0,0,0,0|1,0,0]=3 35 B12R0.5 OCCCCCCCCCCCBr 216396 [2,0,0,0,0,0|1,0,1]=4 36 B14R0.337 CCCCCCCCCCCC(=O)CC 188340 [1,1,0,0,0,0|0,0,2]=4 37 B14R0.394 CCCCCCCCCCCCC(=O)O 321977 [1,1,0,0,0,0|0,0,0]=2 38 B14R0.394 CCCCCCCCCCCCN(C)C 098829 [1,1,0,0,0,0|1,0,1]=4 39 B14R0.394 NCCCCCCCCCCCC(=O)O 099086 [1,1,0,0,0,0|1,0,0]=3 40 B16R0.274 CCCCCCCCCCCCCCC(=O)O 321973 [0,2,0,0,0,0|0,0,0]=2 41 B16R0.274 CCCCCCCCCCCCCCN(C)C 135700 [0,2,0,0,0,0|1,0,1]=4 42 B16R0.303 CCCCCCCCCCCCCCCCBr BR1074 [0,2,0,0,0,0|1,0,1]=4 43 B16R0.303 CCCCCCCCCCCCCCCCCl 238802 [0,2,0,0,0,0|1,0,1]=4 44 B16R0.303 CCCCCCCCCCCCCCCCN 099187 [0,2,0,0,0,0|1,0,1]=4 45 B16R0.303 CCCCCCCCCCCCCCCCO 225485 [0,2,0,0,0,0|0,0,2]=4 46 B16R0.303 CCCCCCCCCCCCCCCCS 144700 [0,2,0,0,0,0|0,1,1]=4 47 B16R0.303 CCCCCCCCCCCCNCCC#N 018649 [0,2,0,0,0,0|1,0,1]=4 48 B16R0.303 CCCCCCCCNCCCCCCCC 242970 [0,2,0,0,0,0|1,0,1]=4 49 B16R0.303 CCCCCCCCSCCCCCCCC 099123 [0,2,0,0,0,0|1,0,1]=4 50 B16R0.224 CCCCCCCCCCCCC(Br)C(=O)O 099212 [0,2,0,0,0,0|0,0,0]=2 51 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] 098465 [0,2,0,0,0,0|2,0,0]=4 52 B14R1.4408 O=C1CCCCCCCCCCCN1 099030 [1,0,0,1,0,0|1,0,0]=3