0 B9R1.11 CC(CO)C1=NCCO1 YH33173 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.11 CCC(=O)C1=CC=CN1 JZ4355 [0,0,0,0,0,0|1,0,3]=4 2 B9R1.11 CCC(=O)C1=CC=CO1 JZ2245 [0,0,0,0,0,0|1,1,2]=4 3 B9R1.11 CCC(=O)C1=CC=CS1 JZ4817 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.11 CCC(=O)C1=CC=CS1 LT0591 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.11 CCC(C)C1=NC=CS1 XJ4408 [0,0,0,0,0,0|1,0,3]=4 6 B9R1.11 COC(=O)C1=CCCC1 RT12020 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.11 COC(=O)C1=CNC=N1 LX2313 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.11 COC(=O)C1=NNC=C1 RT8686 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.11 COC(=O)C1=NNC=N1 YH03297 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.11 COC(=O)C1CCCC1 LQ2705 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.11 COC(=O)C1CCCO1 YH57736 [0,0,0,0,0,0|2,1,1]=4 12 B9R1.11 O=C(CCl)C1=CC=CS1 LT0548 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.11 O=C(CCl)C1CCCC1 LX2685 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.11 [C@@H]1(C(=O)OC)CCCN1 RT5470 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.7 CC(=O)C1=CC=CS1 LT4058 [1,0,0,0,0,0|1,0,2]=4 16 B8R1.7 CC(=O)C1=CN=NS1 YH33246 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.7 CC(=O)C1=CNC=N1 YH10387 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.7 CC(=O)C1=NCCC1 RT14173 [1,0,0,0,0,0|1,0,0]=2 19 B8R1.7 CC(=O)C1CCCC1 RT17591 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.7 O=C(O)C1=NC=CS1 JZ4900 [1,0,0,0,0,0|1,0,2]=4 21 B8R1.7 O=C(O)C1NCCS1 LT6660 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.8 CCOC1=NC=CS1 LT1725 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.11 CCCC(=O)C1=CC=CS1 XJ2839 [0,1,0,0,0,0|1,0,2]=4 24 B10R1.11 CCOC(=O)C1=CC=CS1 HL2383 [0,1,0,0,0,0|1,0,2]=4 25 B10R1.11 CCOC(=O)C1=CNC=N1 XJ4741 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.11 CCOC(=O)C1=CSC=N1 LQ3748 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.11 CCOC(=O)C1=NC=CN1 LQ4757 [0,1,0,0,0,0|1,0,2]=4 28 B10R1.11 CCOC(=O)C1=NN=NN1 JZ1468 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.11 O=C(CCCl)C1=CC=CS1 YH65807 [0,1,0,0,0,0|1,0,2]=4 30 B8R0.3 CCOC(=O)C(=O)CBr LT7898 [0,0,1,0,0,0|2,1,0]=4 31 B8R0.6 CCCCCC(=O)CC HL1322 [0,0,1,0,0,0|2,0,1]=4 32 B8R0.6 CCC\C=C\C(=O)OC JZ1988 [0,0,1,0,0,0|3,0,0]=4 33 B8R0.6 CCO\C=C\C(=O)CC RT16428 [0,0,1,0,0,0|3,0,0]=4 34 B8R0.20 CCC(=O)N(CC)CC XJ1563 [0,0,1,0,0,0|3,0,0]=4 35 B8R0.20 COC(=O)\C(=N\O)SC RT0057 [0,0,1,0,0,0|2,0,0]=3 36 B10R2.178 O=C1CCC2CCC1C2 HL2848 [0,0,0,1,0,0|2,0,1]=4 37 B10R1.15 CCC(=O)C1=CC=CN=C1 JZ4667 [0,0,0,0,0,1|1,0,2]=4 38 B10R1.15 CCC(=O)C1=NCCCC1 RT14170 [0,0,0,0,0,1|1,0,0]=2 39 B10R1.15 CCC(=O)C1CCCCC1 HL0671 [0,0,0,0,0,1|2,0,1]=4 40 B10R1.15 COC(=O)C1=CCCCC1 YH42043 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.15 COC(=O)C1=CCCNC1 RT4411 [0,0,0,0,0,1|2,0,1]=4 42 B10R1.27 COC(=O)C=C1CCCC1 LQ4997 [0,0,0,0,0,1|3,0,0]=4 43 B7R0.3 CCCCC(=O)CC XJ0362 [1,0,1,0,0,0|1,0,1]=4 44 B7R0.3 CC\C(C)=C\CCBr JZ5314 [1,0,1,0,0,0|2,0,0]=4 45 B7R0.5 CCCC(=O)C(C)=O LQ2544 [1,0,1,0,0,0|1,1,0]=4 46 B7R0.5 CCOC(=O)C(C)=O RT1264 [1,0,1,0,0,0|1,1,0]=4 47 B7R0.7 CCOC(=S)SCC XJ1157 [1,0,1,0,0,0|2,0,0]=4 48 B7R0.7 CCOC(=S)SCC XJ1158 [1,0,1,0,0,0|2,0,0]=4 49 B7R0.7 CCOC(=S)SCC XJ1396 [1,0,1,0,0,0|2,0,0]=4 50 B7R0.10 CCC(=O)C(=O)OC RT0515 [1,0,1,0,0,0|1,1,0]=4 51 B7R0.10 CCC(=O)\C(C)=N\O RT16418 [1,0,1,0,0,0|1,0,0]=3 52 B7R0.1 CC\C=C/CCCO XJ3057 [1,0,1,0,0,0|1,1,0]=4 53 B7R0.4 CCC\C=C\C(C)=O XJ1585 [1,0,1,0,0,0|2,0,0]=4 54 B7R1.1 CCC1=NCCC1 RT14089 [2,0,0,0,0,0|1,0,0]=3 55 B7R1.1 CCC1=NCCO1 XJ4890 [2,0,0,0,0,0|0,1,0]=3 56 B7R1.1 ClCC1=NCCN1 LT2285 [2,0,0,0,0,0|2,0,0]=4 57 B9R0.6 CCOC(=O)C(=O)C(C)Br RT18792 [0,1,1,0,0,0|1,1,0]=4 58 B9R0.8 CCO\C=C(/C)C(=O)CC RT6124 [0,1,1,0,0,0|1,1,0]=4 59 B9R0.35 CCNC(=O)C(=O)NCC LQ1175 [0,1,1,0,0,0|0,1,1]=4 60 B9R0.35 CCOC(=N)C(=O)OCC YH06755 [0,1,1,0,0,0|0,1,0]=3 61 B9R0.35 CCOC(=N)C(=O)OCC YH19941 [0,1,1,0,0,0|0,1,0]=3 62 B9R0.35 CCOC(=O)C(=O)OCC LQ0292 [0,1,1,0,0,0|1,1,0]=4 63 B9R0.41 CS\C(=N/O)C(=O)N(C)C RT0195 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.16 CCOC(=O)C1CSCCS1 JZ5390 [0,1,0,0,0,1|1,0,1]=4 65 B11R1.15 CCOC(=O)C1=NC(Br)=CS1 YH98273 [0,2,0,0,0,0|0,0,2]=4 66 B11R1.199 CCOC(=O)C1=C(N)CCC1 LT0730 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.3 CC1CCCC(=O)C1=O XJ2361 [0,0,1,1,0,0|1,1,0]=4 68 B11R2.11 SC1CN(C2=NCCS2)C1 YH65486 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.22 O=C(CBr)C1CC1 YH14275 [0,0,0,0,2,0|1,0,1]=4 70 B9R1.6 CC(=O)C1=CCCCC1 JZ4276 [1,0,0,0,0,1|2,0,0]=4 71 B9R1.6 CC(=O)C1=NCCCC1 RT15379 [1,0,0,0,0,1|1,0,0]=3