0 B11R1.24 C1=CC(=CC(=C1)F)CN=C=S 9469 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.10 C1=CC(=CC(=C1)Br)CCN 8847 [1,0,0,0,0,0|0,1,0]=2 2 B10R1.10 C1=CC(=CC(=C1)Cl)CCN 8166 [1,0,0,0,0,0|0,1,0]=2 3 B10R1.10 C1=CC(=CC(=C1)F)CC#N 9476 [1,0,0,0,0,0|0,0,2]=3 4 B10R1.10 CC1=CC(=CC=C1)CCO 8299 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 C1=CC=C(C=C1)CN=C=S 6108 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.17 CCNCC1=CC=NC=C1 8861 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.17 CNCCC1=CC=CC=N1 10522 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 CNCCC1=CC=CC=N1 6724 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.17 CCOC(=O)C1=CC(=CC=C1)F 6293 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.50 COC(=O)CC1=CC(=CC=C1)F 8246 [0,1,0,0,0,0|1,0,1]=3 11 B12R1.226 C1=CC(=CC(=C1)Cl)CCC(=O)O 6537 [0,1,0,0,0,0|2,1,0]=4 12 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O 10329 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.385 CCCCC1=CC(=C(C=C1)I)C 9757 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.24 C1CCC2=C(C1)C=CC(=C2)O 10174 [0,0,0,1,0,0|2,0,0]=3 15 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F 5113 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.612 Cn1cnc2c1ccc(c2)N M2002 [0,0,0,1,0,0|2,0,1]=4 17 B12R2.612 c1cc2c(cc1N)CCC2=O A2089 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.2 C1=CC(=CC(=C1)Br)CN 9996 [2,0,0,0,0,0|0,1,0]=3 19 B9R1.2 C1=CC(=CC(=C1)Br)NN 10008 [2,0,0,0,0,0|1,1,0]=4 20 B9R1.2 C1=CC(=CC(=C1)Cl)NN 9850 [2,0,0,0,0,0|1,1,0]=4 21 B9R1.2 C1=CC(=CC(=C1)F)C#N 8577 [2,0,0,0,0,0|0,0,2]=4 22 B9R1.2 C1=CC(=CC(=C1)F)C=O 9272 [2,0,0,0,0,0|1,0,1]=4 23 B9R1.2 C1=CC(=CC(=C1)F)CO 6086 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.2 C1=CC(=CC(=C1)F)NN 5986 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.2 CC1=CC(=CC=C1)CBr 8441 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.2 COC1=CC(=CC=C1)F 5384 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.2 COC1=CC(=CC=C1)S 5358 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.2 COC1=CC=CC(=C1)N 9172 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.2 COc1cccc(c1)Br B0420 [2,0,0,0,0,0|1,1,0]=4 30 B9R1.2 COc1cccc(c1)Cl C0028 [2,0,0,0,0,0|1,1,0]=4 31 B9R1.2 CSC1=CC(=CC=C1)Cl 5596 [2,0,0,0,0,0|1,1,0]=4 32 B9R1.2 CSC1=CC=CC(=C1)F 9504 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.2 CSC1=CC=CC(=C1)N 6516 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.8 C1=CC=C(C=C1)CON 10183 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.8 C1=CC=NC(=C1)CCN 5251 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 C1=CC=NC(=C1)CCO 9142 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.8 CCCC1=CC=NC=C1 8669 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.8 c1cnccc1CCN A0195 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.8 c1cnccc1CCN P0148 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN 9266 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.23 CCC(=O)C1=CC(=CC=C1)F 5174 [1,1,0,0,0,0|0,0,1]=3 44 B11R1.157 C1=CC(=CC(=C1)F)CC(=O)[O-] 10031 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.157 CC(=O)NC1=CC(=CC=C1)F 8345 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.182 C1=CC(=C(C=C1F)CC#N)F 8380 [1,1,0,0,0,0|0,0,2]=4 47 B11R1.182 CC1=C(C=C(C=C1)F)CC#N 9251 [1,1,0,0,0,0|0,0,2]=4 48 B11R1.189 CCOC1=CC=CC(=C1)C=O 8953 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.192 C1=CC(=C(C=C1CC#N)F)F 8936 [1,1,0,0,0,0|0,0,2]=4 50 B11R1.192 c1cc(c(cc1CC#N)F)Cl B0276 [1,1,0,0,0,0|0,0,2]=4 51 B11R1.1 CCCCC1=CC=C(C=C1)I 10271 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.28 C1=CC=C(C=C1)CCN=C=O 10538 [1,1,0,0,0,0|0,0,2]=4 53 B11R1.28 C1=CC=C(C=C1)CNCCN 9598 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.28 C1=CC=C(C=C1)OCCCBr 10158 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.91 CC(C)NCC1=CC=CC=C1 8834 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N 6411 [0,2,0,0,0,0|2,0,0]=4 57 B13R1.3420 c1c(cc(cc1F)F)CCC(=O)O D1587 [0,2,0,0,0,0|2,0,0]=4 58 B11R2.36 C1=CC2=C(C=CN2)C=C1F 8339 [1,0,0,1,0,0|0,0,2]=4 59 B11R2.36 C1CNC2=C1C=C(C=C2)Cl 9578 [1,0,0,1,0,0|0,1,0]=3 60 B11R2.36 c1cc2c(cc1F)CCN2 F1286 [1,0,0,1,0,0|0,0,0]=2 61 B11R2.36 c1cc2c(cc[nH]2)cc1F F0451 [1,0,0,1,0,0|0,0,2]=4 62 B11R2.20 C1CCC2=CC=CC=C2C1 5836 [1,0,0,1,0,0|1,0,0]=3 63 B11R2.20 C1CNCC2=CC=CC=C21 8407 [1,0,0,1,0,0|0,0,0]=2 64 B13R2.11642 C1CC(=O)C2=C1C=C(C=C2F)F D1892 [0,1,0,1,0,0|2,0,0]=4