0 B11R1.17 O=CCOC1=C(Cl)C=CC=C1 H11067 [1,0,0,0,0,0|3,0,0]=4 1 B11R1.91 C[C@H](O)CCC1=CC=NC=C1 AT24513 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.164 CN(C)CCN1C=CC(Br)=CC1=O D76484 [0,1,0,0,0,0|2,0,0]=3 3 B13R1.202 O=C(O)[C@@H](Br)CC1=C(Cl)C=CC=C1 D75953 [0,1,0,0,0,0|3,0,0]=4 4 B13R2.216 O=C1CC(C2=C(Br)C=CC=C2)C1 AT14144 [0,0,0,1,0,0|2,1,0]=4 5 B13R2.222 CC1(C)NCC2=C(C=CC=C2)O1 D87992 [0,0,0,1,0,0|3,0,0]=4 6 B13R2.4848 CC1(C)CNC2=C(F)C=CC=C21 C90695 [0,0,0,1,0,0|2,1,0]=4 7 B13R2.4852 O=C(O)[C@@H]1CC2=C(Cl)C=CC=C21 AT20395 [0,0,0,1,0,0|3,0,0]=4 8 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2N1 69698 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.4 CNCC1=C(Br)C=NC=C1 AT26684 [2,0,0,0,0,0|1,1,0]=4 10 B12R1.308 COC[C@H](N)C1=C(F)C=CC=C1 Y14845 [1,1,0,0,0,0|1,1,0]=4 11 B12R1.27 C[C@@H](CN)OCC1=CC=CC=C1 AT22581 [1,1,0,0,0,0|2,0,0]=4 12 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 F31051 [1,1,0,0,0,0|2,0,0]=4 13 B12R1.27 NC[C@@H](F)CCC1=CC=CC=C1 D76606 [1,1,0,0,0,0|2,0,0]=4 14 B12R1.124 CC(=O)[C@H](N)C1=C(Cl)C=CC=C1 D85233 [0,1,0,0,1,0|2,0,0]=4 15 B12R1.124 CC(O)C(N)C1=C(Cl)C=CC=C1 D85227 [0,1,0,0,1,0|2,0,0]=4 16 B12R1.124 CC(O)[C@H](N)C1=C(Cl)C=CC=C1 Y14833 [0,1,0,0,1,0|2,0,0]=4 17 B12R1.124 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15540 [0,1,0,0,1,0|2,0,0]=4 18 B14R1.1007 COC(=O)[C@@H](Br)CC1=C(Cl)C=CC=C1 D75954 [0,2,0,0,0,0|2,0,0]=4 19 B12R2.41 C1=CN=C2CCNCCC2=C1 P12285 [1,0,0,1,0,0|2,0,0]=4 20 B12R2.517 FC1=NC=CC=C1C2CNC2 84094 [1,0,0,1,0,0|1,1,0]=4 21 B12R2.1081 BrC1=C2CCNCC2=CN=C1 F53720 [1,0,0,1,0,0|1,1,0]=4 22 B12R2.1081 ClC1=C2CCNCC2=NC=C1 D76679 [1,0,0,1,0,0|1,0,0]=3 23 B12R2.22 Br[C@H]1C[C@@H](C2=CC=CC=C2)C1 AT21926 [1,0,0,1,0,0|2,0,0]=4 24 B12R2.22 Br[C@H]1C[C@H](C2=CC=CC=C2)C1 AT21928 [1,0,0,1,0,0|2,0,0]=4 25 B12R2.3190 CC(=O)[C@@H]1CC2=C1C=CC=C2 E72984 [1,0,0,1,0,0|2,0,0]=4 26 B14R2.412 CC1(C)CNCC2=C(C=CC=C2)C1 C93026 [0,0,0,1,0,1|2,0,0]=4 27 B14R2.29369 O=C1CCC2=C(C=CC(Cl)=C2Cl)C1 D96416 [0,1,0,1,0,0|2,0,0]=4 28 B14R2.4491 CC1(C)CCC2=C(C=C(O)C=C2)O1 D86170 [0,1,0,1,0,0|2,0,0]=4 29 B14R2.29365 CC1=CC(Br)=CC2=C1CCN(C)C2 AT22642 [0,1,0,1,0,0|1,0,0]=3 30 B14R2.23821 CC1CC(N)(C2=C(Br)C=CC=C2)C1 92980 [0,1,0,1,0,0|1,1,0]=4 31 B14R2.23821 CC1CC(N)(C2=C(F)C=CC=C2)C1 92976 [0,1,0,1,0,0|1,1,0]=4 32 B14R2.28472 CN1CC2=CC=CC(Br)=C2CC1=O AT25839 [0,1,0,1,0,0|0,1,1]=4 33 B14R2.4634 ClC1=C(CNC2COC2)C=CC=C1 E72932 [0,1,0,1,0,0|2,0,0]=4 34 B14R2.8751 CN1CCC2=C(F)C=CC(O)=C2C1 AT24056 [0,1,0,1,0,0|0,1,0]=3 35 B14R3.8319 NC1C2CC3=C(Cl)C=CC=C3C12 E73071 [0,0,0,2,0,0|2,0,0]=4 36 B10R1.61 CN(C)C1=C(O)C=CC=C1 AT26775 [0,0,0,0,2,0|1,0,0]=3 37 B10R1.61 CN(C)C1=C(O)C=NC=C1 AT23568 [0,0,0,0,2,0|2,0,0]=4