0 B12R1.118 CCC(CN)CC1=CC=CC=C1 4033135 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.118 CCC(CN)CC1=CC=CC=C1 4110768 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 CNC(C)CC1=NC=CN=C1 4016114 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.146 CCN(CC)CC1=CC(N)=CC=C1 4027899 [0,1,0,0,0,0|3,0,0]=4 4 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 4042868 [0,0,0,1,0,0|3,0,0]=4 5 B11R1.12 CCC(NC)C1=CC=CC=C1 4088018 [0,0,0,0,1,0|2,0,0]=3 6 B11R1.12 CCC(NC)C1=CC=CC=C1 6871471 [0,0,0,0,1,0|2,0,0]=3 7 B11R1.12 CCC(NC)C1=CC=CN=C1 4026590 [0,0,0,0,1,0|3,0,0]=4 8 B11R1.12 CCC(NC)C1=NC=CC=C1 4025878 [0,0,0,0,1,0|3,0,0]=4 9 B13R1.417 CCC(CC)NCC1=CC=CC=C1 4024891 [0,0,0,0,0,1|2,0,0]=3 10 B13R1.417 CCC(CC)NCC1=CC=CC=C1 4089761 [0,0,0,0,0,1|2,0,0]=3 11 B10R1.17 CNCCC1=CC=NC=C1 4004718 [2,0,0,0,0,0|2,0,0]=4 12 B10R1.17 CNCCC1=CC=NC=C1 4087817 [2,0,0,0,0,0|2,0,0]=4 13 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [2,0,0,0,0,0|2,0,0]=4 14 B10R1.18 CC(O)CC1=NC=CC=C1 4041318 [2,0,0,0,0,0|1,0,0]=3 15 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4026826 [1,1,0,0,0,0|2,0,0]=4 16 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4090930 [1,1,0,0,0,0|2,0,0]=4 17 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 4033474 [1,1,0,0,0,0|0,0,2]=4 18 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 4090278 [1,1,0,0,0,0|0,0,2]=4 19 B12R1.371 CCC(C)OC1=C(N)C=CC=C1 4028507 [1,1,0,0,0,0|2,0,0]=4 20 B12R1.3 CNC(COC)C1=NC=CC=C1 4025884 [0,1,0,0,1,0|2,0,0]=4 21 B12R1.12 CCC(NC)C1=CC=C(Br)C=C1 4024352 [0,1,0,0,1,0|2,0,0]=4 22 B14R1.387 CCC(CC)NCC1=CC=CC=C1F 5939413 [0,1,0,0,0,1|2,0,0]=4 23 B14R1.4513 CC(=O)C(CC1=CC=CC=C1)C(C)=O 5119789 [0,2,0,0,0,0|2,0,0]=4 24 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4028420 [1,0,0,1,0,0|2,0,0]=4 25 B12R2.32 OCC1CC2=CC=CC=C2O1 4086574 [1,0,0,1,0,0|2,0,0]=4 26 B12R2.94 NC1(CC2=CC=CC=C2)CC1 4033380 [1,0,0,1,0,0|2,0,0]=4 27 B14R2.101 C1=CC=C(CNC2CCCC2)C=C1 4024869 [0,0,0,1,0,1|2,0,0]=4 28 B14R2.6 C1=CC=C(CC2CCCCN2)C=C1 3002612 [0,1,0,1,0,0|2,0,0]=4 29 B10R1.15 CNC(C)C1=CC=NC=C1 4087979 [1,0,0,0,1,0|2,0,0]=4 30 B10R1.15 CNC(C)C1=CC=NC=C1 4089962 [1,0,0,0,1,0|2,0,0]=4 31 B10R1.15 CNC(C)C1=CC=NC=C1 4102792 [1,0,0,0,1,0|2,0,0]=4 32 B10R1.15 CNC(C)C1=CN=CC=C1 4089365 [1,0,0,0,1,0|2,0,0]=4 33 B10R1.15 CNC(C)C1=CN=CC=C1 4102793 [1,0,0,0,1,0|2,0,0]=4 34 B10R1.15 CNC(C)C1=NC=CC=C1 4090171 [1,0,0,0,1,0|2,0,0]=4 35 B10R1.15 CNC(C)C1=NC=CC=C1 4102794 [1,0,0,0,1,0|2,0,0]=4 36 B12R1.27 CCC(C)NCC1=CC=CN=C1 4090038 [1,0,0,0,0,1|2,0,0]=4 37 B12R1.27 CCC(C)NCC1=CC=CN=C1 9071485 [1,0,0,0,0,1|2,0,0]=4 38 B12R1.27 CCC(C)NCC1=CC=NC=C1 4089267 [1,0,0,0,0,1|2,0,0]=4 39 B12R1.27 CCC(C)NCC1=CC=NC=C1 9071023 [1,0,0,0,0,1|2,0,0]=4 40 B12R1.27 CCC(C)NCC1=NC=CC=C1 4088188 [1,0,0,0,0,1|2,0,0]=4 41 B12R1.27 CCC(C)NCC1=NC=CC=C1 9070682 [1,0,0,0,0,1|2,0,0]=4 42 B14R1.546 CCC(CC)NCCC1=CC=CC=C1 4024898 [0,0,0,0,0,2|2,0,0]=4 43 B14R1.546 CCC(CC)NCCC1=CC=CC=C1 4088183 [0,0,0,0,0,2|2,0,0]=4