0 B14R1.520 CCOC(=O)CCNC1=CC=CC=C1 P36974 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.520 CCOC(=O)CNCC1=NC=CC=N1 Q58746 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 L20663 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.28 BrCCOCCCC1=CC=CC=C1 Q65995 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.28 CCNCCCCC1=CC=CC=C1 P38707 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.28 OCCOCCCC1=CC=CC=C1 Q65994 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.718 COC(=O)COCC1=CC=CC=C1 Q66011 [1,0,0,0,0,0|1,0,0]=2 7 B15R1.11 CCOC(=O)CCCC1=CC=C(N)C=C1 P35135 [0,1,0,0,0,0|0,0,0]=1 8 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 P36441 [0,1,0,0,0,0|0,0,1]=2 9 B15R1.809 CCOC(=O)CN(C)CC1=CC=CC=N1 Q58306 [0,1,0,0,0,0|2,0,0]=3 10 B15R2.73 CCOC(=O)C1=NNC2=C1C=CC=C2 O34521 [0,0,0,1,0,0|2,0,1]=4 11 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 L22505 [0,0,0,1,0,0|0,0,0]=1 12 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 P39137 [0,0,0,0,1,0|1,0,0]=2 13 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 P50928 [0,0,0,0,1,0|3,0,0]=4 14 B15R1.778 CCOC(=O)CNOCC1=CC=CC=C1 M23851 [0,0,0,0,0,1|1,0,0]=2 15 B15R1.778 N#CCC(=O)NCCCC1=CC=CC=C1 P51044 [0,0,0,0,0,1|2,0,1]=4 16 B12R1.8 NCCCCCC1=CC=CC=C1 P40466 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.252 O=C(O)CCCC1=CN=CC=C1 Q60813 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.252 O=C(O)CCOC1=CC=CC=C1 P36446 [2,0,0,0,0,0|1,0,0]=3 19 B14R1.123 BrCCCOCCCC1=CC=CC=C1 Q65992 [1,1,0,0,0,0|2,0,0]=4 20 B14R1.123 BrCCOCCOCC1=CC=CC=C1 P42041 [1,1,0,0,0,0|1,0,1]=4 21 B14R1.123 NCCOCCOCC1=CC=CC=C1 P41885 [1,1,0,0,0,0|1,0,1]=4 22 B14R1.123 OCCCOCCCC1=CC=CC=C1 Q65993 [1,1,0,0,0,0|2,0,0]=4 23 B14R1.123 OCCOCCCCC1=CC=CC=C1 Q65999 [1,1,0,0,0,0|0,0,1]=3 24 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 P38439 [1,1,0,0,0,0|0,0,1]=3 25 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 P43132 [1,1,0,0,0,0|0,0,0]=2 26 B14R1.756 COC(=O)C(N)CSC1=CC=CC=N1 Q58371 [1,1,0,0,0,0|2,0,0]=4 27 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 P34864 [1,1,0,0,0,0|1,0,0]=3 28 B14R1.29 CCOC(=O)CC(=O)C1=CC=CN=C1 P36964 [0,1,0,0,1,0|1,0,1]=4 29 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 G-6005 [0,1,0,0,1,0|1,0,1]=4 30 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 Q65906 [0,1,0,0,1,0|0,0,0]=2 31 B14R1.29 CCOC(=O)CC(N)C1=CC=NC=C1 Q58293 [0,1,0,0,1,0|1,0,0]=3 32 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 P37294 [0,1,0,0,1,0|0,0,0]=2 33 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 P38711 [0,1,0,0,1,0|0,0,0]=2 34 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 P40680 [0,1,0,0,1,0|0,0,0]=2 35 B14R1.32 CCOC(=O)CCC1=CC(N)=CN=C1 M23667 [0,1,0,0,1,0|1,0,0]=3 36 B14R1.32 CCOC(=O)CCC1=CC=CC(Cl)=C1 P36476 [0,1,0,0,1,0|0,0,0]=2 37 B14R1.32 CCOC(=O)CCC1=CC=CC(N)=C1 P34745 [0,1,0,0,1,0|0,0,0]=2 38 B14R1.32 CCOC(=O)CNC1=CC=CC(Cl)=C1 P39301 [0,1,0,0,1,0|1,0,0]=3 39 B14R1.502 CCOC(=O)CCC1=CC=C(C)C=C1 P36474 [0,1,0,0,1,0|0,0,0]=2 40 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 P36475 [0,1,0,0,1,0|0,0,0]=2 41 B14R1.502 CCOC(=O)CCC1=CC=C(F)N=C1 O32097 [0,1,0,0,1,0|1,0,0]=3 42 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 P36473 [0,1,0,0,1,0|0,0,0]=2 43 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 P39342 [0,1,0,0,1,0|1,0,0]=3 44 B14R1.598 CCOC(=O)CCC1=NC=CC=C1F O32007 [0,1,0,0,1,0|1,0,0]=3 45 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1Br P34748 [0,1,0,0,1,0|0,0,2]=4 46 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1Br Q65982 [0,1,0,0,1,0|0,0,2]=4 47 B14R1.818 CC(N)CC(=O)OCC1=CC=CC=C1 P41306 [0,1,0,0,1,0|2,0,0]=4 48 B16R1.1570 CCOC(=O)CC(=O)COC1=CC=CC=C1 P38186 [0,1,0,0,0,1|0,0,1]=3 49 B16R1.1570 CCOC(=O)CC(=O)\C=C\C1=CC=CC=C1 P37241 [0,1,0,0,0,1|0,0,2]=4 50 B16R1.14049 CCOC(=O)C(N)CCCC1=CC=CC=C1 P39160 [0,1,0,0,0,1|0,0,0]=2 51 B16R1.14049 CCOC(=O)[C@H](N)CCCC1=CC=CC=C1 P40601 [0,1,0,0,0,1|0,0,0]=2 52 B16R1.955 CCOC(=O)CC(=O)CC1=CC=C(Br)C=C1 P40862 [0,2,0,0,0,0|0,0,1]=3 53 B16R1.955 CCOC(=O)CC(=O)CC1=CC=C(C)C=C1 P37019 [0,2,0,0,0,0|0,0,1]=3 54 B16R1.955 CCOC(=O)CC(=O)CC1=CC=C(Cl)C=C1 P37025 [0,2,0,0,0,0|0,0,1]=3 55 B16R1.955 CCOC(=O)CC(=O)CC1=CC=C(F)C=C1 P39609 [0,2,0,0,0,0|0,0,1]=3 56 B16R1.1543 CCOC(=O)CNCC1=CC=C(OC)C=C1 P37108 [0,2,0,0,0,0|1,0,0]=3 57 B16R1.956 CCOC(=O)CC(=O)CC1=CC=CC(Br)=C1 P35675 [0,2,0,0,0,0|0,0,1]=3 58 B16R1.956 CCOC(=O)CC(=O)CC1=CC=CC(Cl)=C1 P39608 [0,2,0,0,0,0|0,0,1]=3 59 B16R1.956 CCOC(=O)CC(=O)CC1=CC=CC(F)=C1 P39610 [0,2,0,0,0,0|0,0,1]=3 60 B16R1.4235 CCOC(=O)CC(=O)CC1=CC=CC=C1Br P35210 [0,2,0,0,0,0|0,0,1]=3 61 B16R1.12547 CC(C)(C)OC(=O)CNCC1=CC=CC=C1 P36181 [0,2,0,0,0,0|1,0,0]=3 62 B14R2.6 C1=CC=C(CC2CCCNC2)C=C1 O28751 [1,0,0,1,0,0|2,0,0]=4 63 B14R2.6 C1=CC=C(CN2CC=CCC2)C=C1 G-6390 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.6 C1=CC=C(NC2CCOCC2)C=C1 P38554 [1,0,0,1,0,0|1,0,1]=4 65 B14R2.3018 C1=CC=C(CCCNC2CC2)C=C1 M22890 [1,0,0,1,0,0|2,0,0]=4 66 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 P51671 [1,0,0,1,0,0|0,0,0]=2 67 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 I-9140 [1,0,0,1,0,0|1,0,0]=3 68 B14R2.68 CN1CCC(C2=CC=CC=C2)CC1 M23884 [1,0,0,1,0,0|2,0,0]=4 69 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 P40179 [1,0,0,1,0,0|1,0,0]=3 70 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 L22347 [1,0,0,1,0,0|1,0,0]=3 71 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P50757 [1,0,0,1,0,0|1,0,0]=3 72 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 P37490 [1,0,0,1,0,0|2,0,0]=4 73 B14R2.279 NC1C(=O)NCCC2=CC=CC=C21 M15187 [1,0,0,1,0,0|2,0,0]=4 74 B14R2.4514 CN1C(=O)CC[C@H]1C2=CN=CC=C2 G-5334 [1,0,0,1,0,0|2,0,0]=4 75 B14R2.21 O=C1CCCC(C2=CC=CN=C2)C1 O29436 [0,0,0,1,1,0|2,0,0]=4 76 B14R2.21 O=C1CCCC(C2=CC=NC=C2)C1 O29437 [0,0,0,1,1,0|2,0,0]=4 77 B16R2.252 O=C1C=C(OCC2=CC=CC=C2)CCO1 M15869 [0,0,0,1,0,1|0,0,2]=4 78 B16R2.252 O=C1CCCC(OCC2=CC=CC=C2)C1 P49231 [0,0,0,1,0,1|1,0,0]=3 79 B16R2.312 CC1CC(=O)CCN1CC2=CC=CC=C2 C-2463 [0,0,0,1,0,1|1,0,0]=3 80 B16R2.3258 O=C1CCN(CC2=CC=CC=C2)CCN1 O34497 [0,0,0,1,0,1|1,0,0]=3 81 B16R2.160202 CCOC(=O)C1NCCC2=C1C=CC=C2 M22958 [0,0,0,1,0,1|0,0,0]=2 82 B16R2.723 CCOC(=O)C1CC1C2=CC=C(C)N=C2 F-4872 [0,1,0,1,0,0|1,0,0]=3 83 B16R2.723 CCOC(=O)[C@H]1C[C@@H]1C2=CN=C(Br)C=C2 L21988 [0,1,0,1,0,0|1,0,0]=3 84 B16R2.71 O=C1CCOCC1OCC2=CC=CC=C2 I-9394 [0,1,0,1,0,0|2,0,0]=4 85 B16R2.35 CC1C(=O)CCCN1CC2=CC=CC=C2 Q61405 [0,1,0,1,0,0|2,0,0]=4 86 B16R2.767 CCOC(=O)C1CC2=C(C=CC=C2)CN1 P37271 [0,1,0,1,0,0|1,0,0]=3 87 B16R2.767 CCOC(=O)C1CNC2=CC=CC=C2O1 O32543 [0,1,0,1,0,0|1,0,0]=3 88 B16R2.767 CCOC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 P40885 [0,1,0,1,0,0|1,0,0]=3 89 B16R2.767 CCOC(=O)[C@H]1CC2=C(C=CC=C2)CN1 P38179 [0,1,0,1,0,0|1,0,0]=3 90 B16R2.124 CC1CCN(CC2=CC=CC=C2)CC1=O F-4036 [0,1,0,1,0,0|2,0,0]=4 91 B16R2.2903 CC1(C)CC(=O)CN1CC2=CC=CC=C2 Q59340 [0,1,0,1,0,0|2,0,0]=4 92 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [1,0,0,0,1,0|1,0,0]=3 93 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [1,0,0,0,1,0|1,0,0]=3 94 B12R1.27 NNC(=O)CCC1=CC=CC=C1 P38586 [1,0,0,0,1,0|2,0,0]=4 95 B12R1.32 CCOC(=O)CC1=CC=CN=N1 L13319 [0,0,0,0,2,0|2,0,0]=4 96 B12R1.32 CCOC(=O)CC1=NC=CC=N1 I-9587 [0,0,0,0,2,0|2,0,0]=4 97 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 P40561 [0,0,0,0,2,0|1,0,0]=3 98 B12R1.51 CCOC(=O)CCC1=CSC=C1 P34747 [0,0,0,0,2,0|1,0,0]=3