0 B12R1.32 COC[C@H](N)CC1=CC=CC=C1 CS-0431739 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.32 O=C(\C=N\O)NC1=CC=CC=C1 CS-0448494 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.28 ICCOCC1=CC=CC=C1 CS-0146879 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.28 OCCOCC1=CC=CC=C1 CS-0896052 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.40 COC(=O)CC1=CN=CN=C1 CS-0492722 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.40 COC(=O)NC1=CC=CC=C1 CS-0066443 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 CS-0049542 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.19 CCOC(=O)CC1=CN=C(Cl)N=C1 CS-0049540 [0,1,0,0,0,0|2,0,0]=3 8 B13R1.19 CNCC(=O)NC1=CC=C(C)C=C1 CS-0219576 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.19 COCC(=O)NC1=CC=C(O)C=C1 CS-0260929 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.20 CCNC(=O)NC1=NC=CC(Br)=C1 CS-0062071 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.20 CCOC(=O)CC1=CC(F)=NC=C1 CS-0643417 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.44 NCCCC(=O)NC1=CC=CC=C1 CS-0970761 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC CS-0158062 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.470 CCOC(=O)CC1=C(C)C=NC=C1 CS-0635663 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.470 CCOC(=O)CC1=NC=CC=C1Cl CS-0370351 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.470 CCOC(=O)CC1=NC=CC=C1F CS-0458859 [0,1,0,0,0,0|1,0,0]=2 17 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 CS-0168797 [0,0,0,1,0,0|2,0,1]=4 18 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 CS-0454208 [0,0,0,0,1,0|2,0,1]=4 19 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 CS-0999046 [0,0,0,0,1,0|1,0,1]=3 20 B11R1.16 O=C(NCO)C1=CC=CN=C1 CS-0066962 [0,0,0,0,1,0|3,0,0]=4 21 B10R1.18 NC(=S)CC1=CC=CC=C1 CS-0206469 [2,0,0,0,0,0|1,1,0]=4 22 B10R1.18 O=C(O)CC1=NC=CC=C1 CS-0096299 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.1 CCCCCC1=CC=C(F)C=C1 CS-0323802 [1,1,0,0,0,0|1,0,1]=4 24 B12R1.30 CCOCC(N)C1=CC=CC=C1 CS-0069368 [1,1,0,0,0,0|0,0,1]=3 25 B12R1.252 CC(Br)COCC1=CC=CC=C1 CS-0753941 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.34 COC(=O)C(N)C1=CC=CC=N1 CS-0440095 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.34 COC(=O)C(O)C1=CC=CN=C1 CS-0258905 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.34 O=C(O[Na])C(=O)C1=CC=CC=C1 CS-0514534 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.49 CNC(=O)CC1=CC=C(O)C=C1 CS-0061780 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.50 CCC(O)CC1=CC(Cl)=CC=C1 CS-0715713 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.50 COC(=O)NC1=CC=CC(Cl)=C1 CS-0576221 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 CS-0034666 [0,1,0,0,1,0|1,0,0]=3 33 B12R1.17 CCOC(=O)C1=CC(=O)N=CN1 CS-M1611 [0,1,0,0,1,0|2,0,0]=4 34 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 CS-0138074 [0,1,0,0,1,0|1,0,0]=3 35 B12R1.308 CCOC(=O)C1=CC=NC=C1Cl CS-0042812 [0,1,0,0,1,0|1,0,0]=3 36 B12R1.308 O=C(CCCl)C1=CC=CC=C1F CS-0045341 [0,1,0,0,1,0|2,0,0]=4 37 B14R1.29 CCOC(=O)CC(N)C1=CC=CN=C1 CS-0377229 [0,1,0,0,0,1|1,0,0]=3 38 B14R1.32 CCOC(=O)C#CC1=CC(Cl)=CC=C1 CS-0233528 [0,1,0,0,0,1|0,0,1]=3 39 B14R1.156 C#CCNC(=O)OCC1=CC=CC=C1 CS-0187319 [0,1,0,0,0,1|1,0,1]=4 40 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 CS-0061625 [0,1,0,0,0,1|0,0,0]=2 41 B14R1.502 CCOC(=O)CCC1=CC=C(F)N=C1 CS-0469157 [0,1,0,0,0,1|1,0,0]=3 42 B14R1.35 CCOC(=O)C(Br)C1=CC=C(F)C=C1 CS-0061537 [0,2,0,0,0,0|0,0,0]=2 43 B14R1.967 CCOC(=O)CC1=CC(Cl)=C(N)C=C1 CS-0539812 [0,2,0,0,0,0|0,0,0]=2 44 B14R1.6823 CCOC(=O)CC1=CN=C(Cl)N=C1Cl CS-0364327 [0,2,0,0,0,0|2,0,0]=4 45 B14R1.6823 CCOC(=O)CC1=NC=C(Br)C=C1F CS-0501700 [0,2,0,0,0,0|1,0,0]=3 46 B14R1.950 CCOC(=O)NC1=C(I)C=CC(F)=N1 CS-0061632 [0,2,0,0,0,0|2,0,0]=4 47 B14R1.510 CCOC(=O)C(F)(F)C1=NC=CC=C1 CS-0001531 [0,2,0,0,0,0|1,0,0]=3 48 B14R1.604 CCOC(=O)C(CN)C1=CC=CC=C1 CS-0263774 [0,2,0,0,0,0|0,0,0]=2 49 B14R1.3348 CCOC(=O)C(=O)C1=CC=CC=C1Cl CS-0454390 [0,2,0,0,0,0|0,0,1]=3 50 B14R1.3348 CCOC(=O)C(O)C1=NC=CC=C1C CS-0898799 [0,2,0,0,0,0|1,0,0]=3 51 B14R1.965 CCOC(=O)CC1=C(C#N)C=CN=C1 CS-0663162 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.51 CCOC(=O)\C=C\C1=CSC=C1 CS-0159399 [0,0,1,1,0,0|1,0,1]=4 53 B12R2.41 C1=CC=C2CNCCCC2=C1 CS-W018800 [1,0,0,1,0,0|2,0,0]=4 54 B12R2.24 BrC1CCC2=C(C=CC=C2)C1 CS-0473434 [1,0,0,1,0,0|1,0,1]=4 55 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 CS-0120025 [1,0,0,1,0,0|1,0,0]=3 56 B12R2.24 O=C1CC2=CN=CC=C2CN1 CS-0451759 [1,0,0,1,0,0|2,0,0]=4 57 B12R2.24 O=C1CCC2=CC=NC=C2N1 CS-0458474 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.2028 CC1NC(=O)C2=CC=CC=C21 CS-0058508 [0,0,0,1,1,0|1,0,0]=3 59 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 CS-W022520 [0,0,0,1,0,1|1,0,0]=3 60 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 CS-0108148 [0,0,0,1,0,1|1,0,0]=3 61 B14R2.8235 O=C1CC2=CC=C(F)C=C2C(=O)O1 CS-0140394 [0,1,0,1,0,0|1,0,1]=4 62 B14R2.380 O=C1CCCC2=CC=C(Br)C=C2C1 CS-0131429 [0,1,0,1,0,0|1,0,0]=3 63 B14R2.517 O=C1NC2=CC=CC=C2N1CCCl CS-0027382 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.741 NC1CCC2=CC=CC=C2NC1=O CS-0004295 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.15 C#CC(=O)C1=CC=CC=C1 CS-0072550 [1,0,0,0,1,0|0,0,2]=4 66 B10R1.15 CCC(=O)C1=CN=CC=C1 CS-W013351 [1,0,0,0,1,0|1,0,0]=3 67 B10R1.15 CCC(O)C1=CC=CC=C1 CS-W013334 [1,0,0,0,1,0|0,0,2]=4 68 B10R1.27 COC(=O)CC1=COC=C1 CS-0526938 [1,0,0,0,1,0|1,0,0]=3