0 B10R1.66 C1=COC(=C1)CCC(=O)O F188394 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.66 C1=COC(=C1)CNC(=O)N F339428 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.66 CC(=O)C=CC1=CC=CO1 F156707 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.66 CC(=O)OCC1=CC=CO1 F116599 [0,0,0,0,0,0|1,1,1]=3 4 B10R1.66 CC(=O)SCC1=CC=CO1 F103056 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.66 CC(C)SCC1=CC=CO1 F133262 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.12 C1=COC(=C1)CN=C=O B301379 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.12 C1=COC(=C1)CSC=O S161330 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.12 CCCCC1=CC=CO1 B152372 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.12 CCCCC1=CC=CS1 N189024 [1,0,0,0,0,0|1,1,0]=3 10 B9R1.12 CCCCC1=CSC=C1 B100752 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.12 CCCCC1=NC=CN1 B152375 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.12 CSSCC1=CC=CO1 F103101 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.25 CCC(=O)SCC1=CC=CO1 F464899 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.25 CCC(=O)SCC1=CC=CO1 S161331 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.25 CCC(C)SSC1=NC=CN1 M421531 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.25 CCC(C)SSC1=NC=CN1 P167211 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.13 CC(C)CC1=NC=CS1 I157522 [0,0,0,0,1,0|1,1,0]=3 18 B11R1.91 CC(C)NCC1=CC=CC=C1 B100437 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.91 CC(C)NCC1=CN=CC=C1 N168305 [0,0,0,0,0,1|2,0,0]=3 20 B11R1.91 CC(CCC1=CC=CC=C1)N M168739 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.91 CC(CCC1=CC=CC=C1)O I168710 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.91 CC(CCC1=CC=CC=C1)O I170111 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.91 CC(CCC1=CC=CC=C1)O P160159 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.91 CN(C)CCC1=CC=CC=C1 N302096 [0,0,0,0,0,1|3,0,0]=4 25 B8R1.8 C1=CSC(=C1)CCN T107627 [2,0,0,0,0,0|1,1,0]=4 26 B8R1.8 C1=CSC(=C1)CCN T493549 [2,0,0,0,0,0|1,1,0]=4 27 B8R1.8 C1=CSC(=C1)CCO T107405 [2,0,0,0,0,0|1,1,0]=4 28 B8R1.8 CCCC1=CC=CO1 P160277 [2,0,0,0,0,0|0,0,0]=2 29 B8R1.8 CCCC1=CC=CS1 P167542 [2,0,0,0,0,0|0,1,0]=3 30 B8R1.8 CCCC1=CSC=C1 P160669 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.8 CCCC1=NC=CN1 P135164 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.8 CCCC1=NC=CS1 P160319 [2,0,0,0,0,0|1,1,0]=4 33 B8R1.8 CNCC1=CC=CO1 I170508 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.8 CSCC1=CC=CO1 F102908 [2,0,0,0,0,0|0,0,0]=2 35 B10R1.11 CCOC(=O)C1=CC=CO1 E156335 [1,1,0,0,0,0|0,1,1]=4 36 B10R1.11 CCOC(=O)C1=CC=CO1 E302418 [1,1,0,0,0,0|0,1,1]=4 37 B10R1.21 C1=COC(=C1)CSCCN F156651 [1,1,0,0,0,0|0,0,0]=2 38 B10R1.21 CCCCCC1=CC=CO1 P103007 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.21 CCCCCC1=CC=CS1 P160668 [1,1,0,0,0,0|1,1,0]=4 40 B10R1.54 CC(C)CN1C=C(C=N1)Br B179862 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.54 CC1=CC=C(O1)CN(C)C N159188 [0,1,0,0,1,0|1,0,0]=3 42 B12R1.27 CC(CO)NCC1=CC=CC=C1 S589912 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 M158345 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 N133659 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.891 CC(C)(CCC1=CC=CC=C1)O M158675 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.61 CC(C)C1=CC=CC=C1O I157538 [0,0,1,1,0,0|1,0,1]=4 47 B10R1.113 CC(C)C1=CC(=CC=C1)O I136677 [0,0,1,1,0,0|1,0,1]=4 48 B10R2.7 C1CCC2=C(C1)C=CN2 T167082 [1,0,0,1,0,0|2,0,0]=4 49 B12R2.2057 C1CC1NCC2=CC=CC=C2 N181212 [0,0,0,1,0,1|2,0,0]=4 50 B12R2.2057 C1CC1NCC2=CN=CC=C2 C351317 [0,0,0,1,0,1|2,0,0]=4 51 B12R2.2383 C1C(O1)COCC2=CC=CO2 H111929 [0,0,0,1,0,1|1,1,0]=4 52 B8R1.7 CC(=C1C=CC=C1)C D168651 [0,0,0,0,2,0|1,0,1]=4 53 B8R1.7 CC(=O)C1=CC=CO1 F106238 [0,0,0,0,2,0|1,0,1]=4 54 B8R1.7 CC(C)C1=CC=NN1 I400398 [0,0,0,0,2,0|2,0,0]=4 55 B8R1.7 CC(C)C1=NC=CN1 I136584 [0,0,0,0,2,0|2,0,0]=4 56 B8R1.7 CC(C)C1=[C-]CC=C1 B283047 [0,0,0,0,2,0|1,0,1]=4 57 B8R1.7 CC(C)N1C=CC=N1 I157629 [0,0,0,0,2,0|2,0,0]=4 58 B8R1.7 CC(C)[C-]1C=CC=C1 S281762 [0,0,0,0,2,0|1,0,1]=4 59 B8R1.7 CC(C1=CC=CO1)O R588542 [0,0,0,0,2,0|1,0,0]=3 60 B8R1.7 CC(C1=CC=CO1)O x170274 [0,0,0,0,2,0|1,0,0]=3 61 B10R1.17 CCCCC1=CC=CC=C1 B100020 [1,0,0,0,0,1|2,0,0]=4 62 B10R1.17 CCCCC1=CC=CC=C1 B100021 [1,0,0,0,0,1|2,0,0]=4 63 B10R1.17 CCCCC1=CC=CC=C1 B128171 [1,0,0,0,0,1|2,0,0]=4 64 B10R1.17 CCCCC1=CN=CC=C1 B115782 [1,0,0,0,0,1|2,0,0]=4 65 B10R1.17 CCNCC1=CC=CC=C1 E113368 [1,0,0,0,0,1|2,0,0]=4 66 B10R1.17 CCNCC1=CC=CC=N1 N170728 [1,0,0,0,0,1|2,0,0]=4 67 B10R1.17 CCNCC1=CC=CC=N1 N598953 [1,0,0,0,0,1|2,0,0]=4 68 B10R1.17 CCNCC1=CC=NC=C1 E124679 [1,0,0,0,0,1|2,0,0]=4 69 B10R1.17 CCOCC1=CC=CC=C1 E193820 [1,0,0,0,0,1|1,1,0]=4