0 B14R1.698 CC1=CC=C(CC(=O)CC(=O)Cl)C=C1 MC106003 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.698 CC1=CC=C(CC(=O)CC(=O)O)C=C1 MC105951 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 CS13678 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 MC40045 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.19 CCOC(=O)CC1=CC=C(C)N=C1 MC107448 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 CS11364 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 CS12592 [1,0,0,0,0,0|3,0,0]=4 7 B15R1.204 COC1=CC=C(NC(=O)CC(C)=O)C=C1 CS11431 [0,1,0,0,0,0|2,0,1]=4 8 B15R1.913 CC(C)(C)OC(=O)NC1=CC=C(N)C=C1 MC40946 [0,1,0,0,0,0|3,0,0]=4 9 B15R1.913 CC1=CC=C(NC(=O)OC(C)(C)C)C=N1 MC428133 [0,1,0,0,0,0|3,0,0]=4 10 B15R1.981 COC(=O)CC(=O)CC1=CC=C(C)C=C1 MC106047 [0,1,0,0,0,0|2,0,1]=4 11 B15R2.13973 CC1(C)CC(=O)NC2=CC=C(Br)C=C21 CS10637 [0,0,0,1,0,0|2,0,0]=3 12 B15R2.13973 CC1(C)OC(=O)NC2=C1C=C(Br)C=C2 CS13943 [0,0,0,1,0,0|3,0,0]=4 13 B13R1.132 CC(C)CC(=O)C1=CC=C(Cl)N=C1 MC112245 [0,0,0,0,1,0|2,0,0]=3 14 B13R1.132 CC(C)OC(=O)C1=CN=C(N)C=C1 MC431367 [0,0,0,0,1,0|3,0,0]=4 15 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.252 CN(C)CCOC1=CC=CC=C1 CS11261 [2,0,0,0,0,0|1,0,1]=4 17 B14R1.954 CCOC(=O)Cc1ccc(CN)cc1 MC121103 [1,1,0,0,0,0|2,0,0]=4 18 B14R1.4 CN(C)CCOC1=CC=C(CN)C=C1 CS11470 [1,1,0,0,0,0|1,0,1]=4 19 B14R1.2 CC(C)NC(=O)C1=CC=C(C=O)C=C1 CS22710 [0,1,0,0,1,0|1,0,1]=4 20 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(Br)C=C1 MC40130 [0,1,0,0,1,0|2,0,0]=4 21 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(F)C=C1 MC31165 [0,1,0,0,1,0|2,0,0]=4 22 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(I)C=C1 MC106761 [0,1,0,0,1,0|2,0,0]=4 23 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(N)C=C1 CS11451 [0,1,0,0,1,0|2,0,0]=4 24 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(O)C=C1 MC433696 [0,1,0,0,1,0|2,0,0]=4 25 B14R1.694 CC1=CC=C(S(=O)(=O)OC(C)C)C=C1 CS11172 [0,1,0,0,1,0|2,0,0]=4 26 B16R1.200 CC(C)(C)OC(=O)NC1=CC=C(CBr)C=C1 MC442493 [0,2,0,0,0,0|2,0,0]=4 27 B14R2.926 O=C1CCCN1C2=CC=C(F)C=C2 CS20420 [1,0,0,1,0,0|2,0,0]=4 28 B14R2.949 O=C(NC1=CC=C(S)C=C1)C2CC2 MC110874 [1,0,0,1,0,0|2,0,0]=4 29 B14R2.4536 CC1(C)CCOC2=CC=C(Br)C=C21 MC107364 [1,0,0,1,0,0|1,0,1]=4 30 B14R2.8732 CC1(C)NC(=O)C2=CC=C(Br)C=C21 MC105376 [0,0,0,1,1,0|2,0,0]=4 31 B14R2.8732 CC1(C)NC(=O)C2=CC=C(O)C=C21 MC104066 [0,0,0,1,1,0|2,0,0]=4 32 B14R2.29365 CC1CC2=CC(Br)=CC=C2C(=O)N1 CS18562 [0,0,0,1,1,0|2,0,0]=4 33 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 CS11362 [1,0,0,0,1,0|2,0,0]=4 34 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CS11363 [1,0,0,0,1,0|2,0,0]=4 35 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 CS21694 [1,0,0,0,1,0|2,0,0]=4 36 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 CS19762 [1,0,0,0,1,0|2,0,0]=4 37 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 CS18640 [1,0,0,0,1,0|2,0,0]=4 38 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 CS14696 [1,0,0,0,1,0|2,0,0]=4 39 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 MC41277 [1,0,0,0,1,0|2,0,0]=4 40 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 MC433259 [1,0,0,0,1,0|2,0,0]=4 41 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS14887 [1,0,0,0,1,0|2,0,0]=4 42 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [1,0,0,0,1,0|1,0,1]=4 43 B12R1.21 CC(C)CNC1=CC=C(Br)C=C1 MC106746 [1,0,0,0,1,0|2,0,0]=4 44 B12R1.20 CC(C)S(=O)C1=CC=C(Br)C=C1 CS16783 [0,0,0,0,2,0|2,0,0]=4 45 B12R1.20 CC1=CC=C(C(=O)C(Cl)Cl)C=C1 MC42255 [0,0,0,0,2,0|2,0,0]=4