0 B10R1.66 CC(=O)CCC1=CC=CO1 8369AE [0,0,0,0,0,0|2,0,1]=3 1 B10R1.66 CN(C)CCN1C=CC=N1 1505AA [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 CN(C)\N=C\C1=CC=CO1 0768AQ [0,0,0,0,0,0|2,0,1]=3 3 B10R1.66 NC(=O)NCC1=CC=CO1 8875AB [0,0,0,0,0,0|3,0,1]=4 4 B9R1.12 CCCCC1=CC=CO1 5552AL [1,0,0,0,0,0|1,0,0]=2 5 B9R1.12 CCCCC1=NN=CO1 6161AC [1,0,0,0,0,0|3,0,0]=4 6 B9R1.12 CCNCC1=CSC=N1 4173AF [1,0,0,0,0,0|3,0,0]=4 7 B9R1.12 CCOCC1=NC=CN1 V7222 [1,0,0,0,0,0|2,1,0]=4 8 B9R1.12 CNCCC1=CC=CS1 8340AC [1,0,0,0,0,0|2,1,0]=4 9 B9R1.12 NCCCC1=CC=CO1 3731AE [1,0,0,0,0,0|2,0,0]=3 10 B9R1.12 NCCCC1=CC=CS1 6482AE [1,0,0,0,0,0|2,1,0]=4 11 B9R1.12 S=C=NCC1=CC=CO1 4029AE [1,0,0,0,0,0|2,0,1]=4 12 B11R1.25 CNC(C)CCC1=CC=CO1 5055AD [0,1,0,0,0,0|1,0,0]=2 13 B11R1.25 NCC(=O)NCC1=CC=CO1 0043AD [0,1,0,0,0,0|2,0,1]=4 14 B11R1.75 CC1=CC=C(CNC(C)C)O1 0886AF [0,1,0,0,0,0|1,0,0]=2 15 B11R1.510 CC(C)(C)NCC1=CC=CO1 9662AC [0,1,0,0,0,0|1,0,0]=2 16 B9R1.13 CC(=O)CC1=CC=CS1 4644AD [0,0,0,0,1,0|1,1,1]=4 17 B9R1.13 CC(N)CC1=CC=CO1 8493AB [0,0,0,0,1,0|1,0,0]=2 18 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [0,0,0,0,1,0|1,0,0]=2 19 B9R1.13 CN(C)C=C1C=CC=C1 0768AC [0,0,0,0,1,0|2,0,1]=4 20 B9R1.13 CN(C)CC1=CC=CN1 4514AD [0,0,0,0,1,0|2,0,0]=3 21 B9R1.13 CN(C)CC1=CC=CS1 2203AB [0,0,0,0,1,0|1,1,0]=3 22 B11R1.172 O=C(O)CSCC1=CC=CO1 2370AF [0,0,0,0,0,1|2,0,1]=4 23 B8R1.8 BrCCC1=CC=CS1 Z5496 [2,0,0,0,0,0|1,1,0]=4 24 B8R1.8 CCCC1=CC=CO1 Z5525 [2,0,0,0,0,0|0,0,0]=2 25 B8R1.8 CCCC1=CSC=C1 Z5466 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.8 CCCC1=NN=CO1 5829AA [2,0,0,0,0,0|2,0,0]=4 27 B8R1.8 CCNC1=CC=CS1 W4294 [2,0,0,0,0,0|1,1,0]=4 28 B8R1.8 CNCC1=CC=NO1 4172AJ [2,0,0,0,0,0|2,0,0]=4 29 B8R1.8 NCCC1=CC=CN1 1070AJ [2,0,0,0,0,0|2,0,0]=4 30 B8R1.8 NCCC1=CC=CN1 5556AB [2,0,0,0,0,0|2,0,0]=4 31 B10R1.11 CCCC(=O)C1=CC=CO1 Z5524 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.11 CCCC(N)C1=CC=CS1 4090AE [1,1,0,0,0,0|1,1,0]=4 33 B10R1.16 CCNCC1=CC=C(C)O1 5879AD [1,1,0,0,0,0|1,0,0]=3 34 B10R1.21 CNCCCC1=CC=CO1 5597AD [1,1,0,0,0,0|1,0,0]=3 35 B10R1.21 OCCNCC1=CC=CO1 3755AE [1,1,0,0,0,0|1,0,0]=3 36 B10R1.23 CC(C)C(N)C1=CC=CS1 5649AE [0,1,0,0,1,0|0,1,0]=3 37 B10R1.64 CC(C)CN1N=CC=C1I Z9780 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.64 CC(C)CN1N=CC=C1N 4367AB [0,1,0,0,1,0|2,0,0]=4 39 B12R1.21 CC(C)NCC1=CC=C(N)C=C1 7280AJ [0,1,0,0,0,1|2,0,0]=4 40 B12R1.27 CC(CO)NCC1=CC=CC=C1 8255AE [0,1,0,0,0,1|2,0,0]=4 41 B12R1.43 CC(C)C(=O)CC1=NC=CC=C1 2329AJ [0,1,0,0,0,1|2,0,0]=4 42 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 W6216 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 X9200 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.107 CC(C)NC(C)C1=CC=CC=C1 W4133 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.105 CC(C)CNCC1=CC=C(Br)S1 0522AA [0,1,0,0,0,1|1,1,0]=4 46 B12R1.264 CC(N)C(=O)NCC1=CC=CO1 2813AD [0,1,0,0,0,1|2,0,0]=4 47 B12R1.477 NCC(O)COCC1=CC=CO1 5185AE [0,1,0,0,0,1|1,1,0]=4 48 B10R2.7 C1=CN2CCNCC2=C1 1057AC [1,0,0,1,0,0|2,0,0]=4 49 B10R2.136 C1=CSC(C2CCN2)=C1 9646AE [1,0,0,1,0,0|1,1,0]=4 50 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 6521AD [0,0,0,1,0,1|2,0,0]=4 51 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 Z9695 [0,0,0,1,0,1|2,0,0]=4 52 B12R2.2057 C1=CC=C(CNC2CC2)N=C1 6937AE [0,0,0,1,0,1|2,0,0]=4 53 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 V3942 [0,0,0,1,0,1|2,0,0]=4 54 B8R1.7 CC(N)C1=CC=CO1 7556AD [0,0,0,0,2,0|1,0,0]=3 55 B8R1.7 CC(O)C1=CC=CN1 Z2357 [0,0,0,0,2,0|2,0,0]=4 56 B10R1.17 CCCCC1=CC=NC=C1 Y9365 [1,0,0,0,0,1|2,0,0]=4 57 B10R1.17 CCCCC1=NC=CC=C1 S413 [1,0,0,0,0,1|2,0,0]=4 58 B10R1.17 CCNCC1=CC=CN=C1 Y5832 [1,0,0,0,0,1|2,0,0]=4 59 B12R1.252 CC(C)CNCC1=CC=CC=C1 3705AL [0,0,0,0,0,2|2,0,0]=4 60 B12R1.252 CC(C)NCCC1=CC=CC=C1 2161AE [0,0,0,0,0,2|2,0,0]=4 61 B12R1.255 CN(C)CCNCC1=CC=CO1 6949AE [0,0,0,0,0,2|2,0,0]=4