0 B14R1.423 CC(C)CNC(=O)NC1=CC=CC=C1 SBB056570 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 SBB045971 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 SBB056566 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 SBB061302 [1,0,0,0,0,0|0,0,0]=1 4 B15R2.993 CC(C)CN1C(=S)NC2=CC=CC=C21 SBB014019 [0,0,0,1,0,0|2,1,0]=4 5 B15R2.993 CC(C)CN1C2=CC=CC=C2N=C1S SBB045151 [0,0,0,1,0,0|2,1,0]=4 6 B15R2.993 CC(N)CN1C(=O)OC2=CC=CC=C21 SBB303485 [0,0,0,1,0,0|3,0,0]=4 7 B15R2.1660 CC(C)CSC1=NC2=CC=CC=C2N1 SBB045193 [0,0,0,1,0,0|2,1,0]=4 8 B15R2.7532 CC1(C)COC(CC2=CC=CC=C2)=N1 SBB116850 [0,0,0,1,0,0|1,0,0]=2 9 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 SBB071424 [0,0,0,0,1,0|2,0,1]=4 10 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 SBB068823 [0,0,0,0,1,0|2,0,0]=3 11 B13R1.45 CN(C)\C=C/C(=O)C1=CC=CC=C1 SBB023014 [0,0,0,0,1,0|2,0,1]=4 12 B13R1.45 CN(C)\C=N\C(=O)C1=CC=CC=C1 SBB055111 [0,0,0,0,1,0|2,0,1]=4 13 B13R1.45 [NH+](C)(C)CCC(=O)C1=CC=CC=C1 SBB057905 [0,0,0,0,1,0|2,0,0]=3 14 B13R1.348 CC(C)NC(=O)NC1=CC=CC=C1 SBB056571 [0,0,0,0,1,0|2,0,0]=3 15 B13R1.348 N(C(=O)CC(C)=O)C1=CC=CC=C1 SBB003774 [0,0,0,0,1,0|2,0,1]=4 16 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.8 N(CCCC)CC1=CC=CC=C1 SBB006552 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.32 CCNC(=O)NC1=CC=CC=C1 SBB008390 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.32 CCOC(=O)CC1=CC=CC=N1 SBB058275 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.32 CCOC(=O)CC1=CC=NC=C1 SBB053836 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.32 CCOC(=O)CC1=CN=CC=C1 SBB058276 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.32 CCOC(=O)NC1=NC=CC=C1 SBB017258 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 SBB053602 [2,0,0,0,0,0|2,0,0]=4 24 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 SBB060334 [1,1,0,0,0,0|0,0,0]=2 25 B14R1.160 CC(C)COC(=O)C1=C(N)C=CC=C1 SBB017731 [0,1,0,0,1,0|0,0,0]=2 26 B14R1.163 CCC(C)COC(=O)C1=CC=CC=C1 SBB061296 [0,1,0,0,1,0|0,0,0]=2 27 B14R1.678 CC(C)COC(=O)C1=CC=C(N)C=C1 SBB073012 [0,1,0,0,1,0|0,0,0]=2 28 B14R1.678 CC(C)COC(=O)C1=CC=C(O)C=C1 SBB080168 [0,1,0,0,1,0|0,0,0]=2 29 B14R1.678 CN(C)CCC(=O)C1=CC=C(Cl)C=C1 SBB100369 [0,1,0,0,1,0|2,0,0]=4 30 B14R1.433 CC(C)(C)NC(=O)CC1=CC=CC=C1 SBB058209 [0,1,0,0,1,0|1,0,0]=3 31 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CC=C1 SBB008371 [0,1,0,0,1,0|1,0,0]=3 32 B14R1.698 CC(C)CC(=O)NC1=CC=C(N)C=C1 SBB080088 [0,1,0,0,1,0|1,0,0]=3 33 B14R2.403 CC1(C)COC(C2=CN=CC=C2)=N1 SBB058941 [0,0,0,1,1,0|2,0,0]=4 34 B14R2.642 CC(C)N1C(=O)NC2=CC=CC=C21 SBB056000 [0,0,0,1,1,0|2,0,0]=4 35 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 SBB039215 [0,0,0,1,1,0|2,0,0]=4 36 B16R2.12599 CC1(C)CSC(NCC2=CC=CC=C2)=N1 SBB038504 [0,0,0,1,0,1|1,1,0]=4 37 B16R2.1625 CC(C)CN1C2=CC=CC=C2N=C1C=O SBB018394 [0,1,0,1,0,0|2,0,0]=4 38 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [1,0,0,0,1,0|1,0,0]=3 39 B12R1.30 CCCNC(=O)C1=CC=CC=C1 SBB058554 [1,0,0,0,1,0|1,0,0]=3 40 B12R1.30 CCCOC(=O)C1=CC=CC=C1 SBB061241 [1,0,0,0,1,0|0,0,0]=2 41 B12R1.30 CCCOC(=O)C1=CN=CC=C1 SBB061278 [1,0,0,0,1,0|1,0,0]=3 42 B12R1.30 O=C(NCCCl)C1=CC=CC=C1 SBB008196 [1,0,0,0,1,0|2,0,0]=4 43 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [1,0,0,0,1,0|1,0,1]=4 44 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [1,0,0,0,1,0|1,0,1]=4 45 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [0,0,0,0,2,0|1,0,1]=4 46 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 SBB058207 [0,0,0,0,2,0|1,0,0]=3 47 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 SBB063237 [0,0,0,0,2,0|1,0,0]=3 48 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 SBB058215 [0,0,0,0,2,0|2,0,0]=4 49 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 SBB003280 [1,0,0,0,0,1|2,0,0]=4 50 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 SBB057706 [1,0,0,0,0,1|2,0,0]=4