0 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 CS-W009807 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS-W010391 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.27 O=C(CO)OCC1=CC=CC=C1 CS-W007485 [1,0,0,0,0,0|2,0,1]=4 3 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CS-W007617 [0,1,0,0,0,0|0,0,1]=2 4 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=N1 CS-W004737 [0,1,0,0,0,0|1,0,1]=3 5 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 CS-M2098 [0,1,0,0,0,0|0,0,2]=3 6 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W012971 [0,1,0,0,0,0|0,0,2]=3 7 B14R1.156 C(C(=O)OCC=C)=CC1=CC=CC=C1 CS-W016797 [0,1,0,0,0,0|0,0,1]=2 8 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 CS-W004853 [0,1,0,0,0,0|2,0,1]=4 9 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS-W012554 [0,1,0,0,0,0|0,0,2]=3 10 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 CS-M2499 [0,1,0,0,0,0|0,0,2]=3 11 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 CS-0037204 [0,1,0,0,0,0|1,0,1]=3 12 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 CS-M0586 [0,1,0,0,0,0|1,0,1]=3 13 B14R2.203 COC1=C2C=CC=CC2=CC=C1Br CS-0041682 [0,0,0,1,0,0|3,0,0]=4 14 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 CS-0108148 [0,0,0,1,0,0|1,0,2]=4 15 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CS-W016087 [0,0,0,0,1,0|0,0,1]=2 16 B12R1.32 CCOC(=O)CC1=CC=NC=C1 CS-W017889 [0,0,0,0,1,0|1,0,1]=3 17 B12R1.32 CCOC(=O)NC1=CC=NC=C1 CS-0028344 [0,0,0,0,1,0|2,0,0]=3 18 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 CS-M2454 [0,0,0,0,0,1|1,0,2]=4 19 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS-M0975 [0,0,0,0,0,1|0,0,2]=3 20 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS-W010686 [0,0,0,0,0,1|0,0,2]=3 21 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [2,0,0,0,0,0|0,0,0]=2 22 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 CS-0033829 [2,0,0,0,0,0|1,0,1]=4 25 B13R1.11 COC(=O)CC(=O)C1=CC=CN=C1 CS-0103379 [1,1,0,0,0,0|1,0,1]=4 26 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 CS-W023135 [1,1,0,0,0,0|1,0,1]=4 27 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CS-0031396 [1,1,0,0,0,0|0,0,2]=4 28 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS-W017209 [1,1,0,0,0,0|0,0,2]=4 29 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 CS-0037956 [1,1,0,0,0,0|0,0,0]=2 30 B13R1.15 CCC(=O)NCC1=CC=CC(Br)=C1 CS-0038953 [1,1,0,0,0,0|1,0,1]=4 31 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CS-W020565 [1,1,0,0,0,0|0,0,2]=4 32 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CS-W019028 [1,1,0,0,0,0|0,0,2]=4 33 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 CS-W020701 [1,1,0,0,0,0|1,0,1]=4 34 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 CS-M2093 [0,1,0,0,1,0|2,0,0]=4 35 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 CS-W022691 [0,1,0,0,1,0|0,0,1]=3 36 B13R1.19 CCOC(=O)CC1=CC=C(Cl)N=C1 CS-0063168 [0,1,0,0,1,0|1,0,1]=4 37 B13R1.20 CCOC(=O)CC1=CC(Br)=CC=C1 CS-W006014 [0,1,0,0,1,0|0,0,1]=3 38 B13R1.47 CCOC(=O)C(N)C1=NC=CC=C1 CS-0045379 [0,1,0,0,1,0|1,0,1]=4 39 B13R1.47 CCOC(=O)[C@@H](N)C1=CC=CC=C1 CS-0097338 [0,1,0,0,1,0|0,0,1]=3 40 B13R1.470 CCOC(=O)CC1=C(Cl)C=CC=C1 CS-0043127 [0,1,0,0,1,0|0,0,1]=3 41 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 CS-W015213 [0,1,0,0,0,1|0,0,2]=4 42 B15R1.826 CCOC(=O)\C(Cl)=N\NC1=CC=CC=C1 CS-0009313 [0,1,0,0,0,1|1,0,0]=3 43 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(C)C=C1 CS-0042836 [0,2,0,0,0,0|0,0,1]=3 44 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(F)C=C1 CS-M1528 [0,2,0,0,0,0|0,0,1]=3 45 B15R1.24 CCOC(=O)CC(=O)C1=CC=CC(Br)=C1 CS-W022666 [0,2,0,0,0,0|0,0,1]=3 46 B15R1.3722 CCOC(=O)CC(=O)C1=C(F)C=CC=C1 CS-0045387 [0,2,0,0,0,0|0,0,1]=3 47 B15R1.48 CCOC(=O)C(=O)NC1=NC=C(Cl)C=C1 CS-M3402 [0,2,0,0,0,0|2,0,0]=4 48 B15R1.768 CCOC(=O)\C=C\C1=CC=CC=C1OC CS-0035692 [0,2,0,0,0,0|0,0,0]=2 49 B13R1.460 CCOC(=O)C1=CC(C=O)=NC=C1 CS-0043680 [0,0,1,1,0,0|2,0,0]=4 50 B13R1.446 CCOC(=O)C1=C(Br)C=CC(F)=C1 CS-0041472 [0,0,1,1,0,0|2,0,0]=4 51 B13R1.446 CCOC(=O)C1=C(Cl)C=CC(Br)=C1 CS-W012459 [0,0,1,1,0,0|2,0,0]=4 52 B13R1.446 CCOC(=O)C1=CC(Br)=CC=C1I CS-0094420 [0,0,1,1,0,0|2,0,0]=4 53 B13R1.446 CCOC(=O)C1=CC(F)=CC=C1N CS-0043150 [0,0,1,1,0,0|2,0,0]=4 54 B13R1.446 CCOC(=O)C1=CC(I)=CC=C1Br CS-0061553 [0,0,1,1,0,0|2,0,0]=4 55 B13R1.446 CCOC(=O)C1=CC(I)=CC=C1C CS-0096412 [0,0,1,1,0,0|1,0,1]=4 56 B13R1.446 CCOC(=O)C1=CC(I)=CC=C1F CS-0044520 [0,0,1,1,0,0|2,0,0]=4 57 B13R1.446 CCOC(=O)C1=CC(N)=CC=C1F CS-0092640 [0,0,1,1,0,0|2,0,0]=4 58 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 CS-W005609 [1,0,0,1,0,0|2,0,0]=4 59 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 CS-0031471 [1,0,0,1,0,0|1,0,1]=4 60 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 CS-0005444 [1,0,0,1,0,0|2,0,0]=4 61 B13R2.57 COC1=CC=C2N=CC=CC2=C1 CS-W017948 [1,0,0,1,0,0|2,0,0]=4 62 B13R2.57 COC1=NC2=CC=CC=C2C=C1 CS-W006119 [1,0,0,1,0,0|1,0,0]=3 63 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS-W023193 [1,0,0,1,0,0|2,0,0]=4 64 B13R2.26 CCOC1=NC2=CC=CC=C2N1 CS-W020457 [0,0,0,1,1,0|2,0,0]=4 65 B13R2.163 O=C1CCCC2=CC=CC=C2N1 CS-D0727 [0,0,0,1,1,0|2,0,0]=4 66 B15R2.73 CCOC(=O)C1=CN=C2C=NC=CN12 CS-0036829 [0,0,0,1,0,1|2,0,0]=4 67 B15R2.10252 CCOC1=CC=C2N=C(C)C=CC2=C1 CS-W015987 [0,1,0,1,0,0|2,0,0]=4 68 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)N1 CS-D1745 [0,1,0,1,0,0|0,0,0]=2 69 B15R2.1356 CCOC(=O)C1=CN2N=CC=CC2=N1 CS-0037452 [0,1,0,1,0,0|2,0,0]=4 70 B15R2.1282 CCOC1=CC2=CC(O)=CC=C2C=C1 CS-0044817 [0,1,0,1,0,0|1,0,0]=3 71 B11R1.40 COC(=O)CC1=CC=CC=C1 CS-W018528 [1,0,0,0,1,0|0,0,1]=3 72 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CS-D0368 [1,0,0,0,1,0|2,0,0]=4 73 B11R1.16 C(C)=CC(=O)C1=CC=CC=C1 CS-W010991 [0,0,0,0,2,0|1,0,1]=4 74 B11R1.16 CCOC(=O)C1=CC=CC=N1 CS-W008053 [0,0,0,0,2,0|1,0,0]=3 75 B11R1.16 CCOC(=O)C1=CC=NC=C1 CS-W020597 [0,0,0,0,2,0|1,0,0]=3 76 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS-W014344 [0,0,0,0,2,0|1,0,0]=3 77 B11R1.16 CCOC(=O)C1=NC=CN=C1 CS-M0893 [0,0,0,0,2,0|2,0,0]=4