0 B9R1.6 NC(=O)C1=CCCCO1 WXVL_AK0084SB4858 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 NC(=O)C1=CCCCO1 WXVL_AK0084SB4858 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 NC(=O)C1=COCCC1 WXVL_AK0084SB2928 [0,0,0,0,0,0|2,1,0]=3 3 B9R1.6 NC(=O)C1=COCCC1 WXVL_AK0084SB2928 [0,0,0,0,0,0|2,1,0]=3 4 B10R1.15 CNC(=O)C1=CCCCO1 WXVL_AK00442SB4858 [0,1,0,0,0,0|2,0,0]=3 5 B10R1.15 CNC(=O)C1=CCCCO1 WXVL_AK00442SB4858 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.15 CNC(=O)C1=COCCC1 WXVL_AK00442SB2928 [0,1,0,0,0,0|1,1,0]=3 7 B10R1.15 CNC(=O)C1=COCCC1 WXVL_AK00442SB2928 [0,1,0,0,0,0|1,1,0]=3 8 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,0,1,0,0,0|2,0,1]=4 9 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,0,1,0,0,0|2,0,1]=4 10 B8R0.8 C=CCNC(=O)C(=O)C WXVL_AK00561SB0051 [0,0,1,0,0,0|2,0,1]=4 11 B8R0.8 C=CCNC(=O)C(=O)C WXVL_AK00561SB0051 [0,0,1,0,0,0|2,0,1]=4 12 B8R0.8 CC(=O)C(=O)NCC#N WXVL_AK0683SB0051 [0,0,1,0,0,0|2,0,1]=4 13 B8R0.8 CC(=O)C(=O)NCC#N WXVL_AK0683SB0051 [0,0,1,0,0,0|2,0,1]=4 14 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,0,1,0,0,0|2,0,0]=3 15 B8R0.8 CC(=O)C(=O)NCCF WXVL_AK00466SB0051 [0,0,1,0,0,0|2,0,0]=3 16 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,0,1,0,0,0|2,0,0]=3 17 B8R0.8 CCCNC(=O)C(=O)C WXVL_AK00504SB0051 [0,0,1,0,0,0|2,0,0]=3 18 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.8 CCCNC(=O)C(=O)N WXVL_AK00504SB0128 [0,0,1,0,0,0|3,0,0]=4 20 B8R0.8 NC(=O)C(=O)NCCF WXVL_AK00466SB0128 [0,0,1,0,0,0|3,0,0]=4 21 B8R0.8 NC(=O)C(=O)NCCF WXVL_AK00466SB0128 [0,0,1,0,0,0|3,0,0]=4 22 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,0,0,0,1,0|2,0,1]=4 23 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,0,0,0,1,0|2,0,1]=4 24 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,0,0,0,1,0|2,0,1]=4 25 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,0,0,0,1,0|2,0,1]=4 26 B8R1.7 NC(=O)c1ccsc1 WXVL_AK0084SC0054 [0,0,0,0,1,0|1,0,2]=4 27 B8R1.7 NC(=O)c1ccsc1 WXVL_AK0084SC0054 [0,0,0,0,1,0|1,0,2]=4 28 B8R1.7 NC(=O)c1cnc[nH]1 WXVL_AK0084SC0247 [0,0,0,0,1,0|2,0,1]=4 29 B8R1.7 NC(=O)c1cnc[nH]1 WXVL_AK0084SC0247 [0,0,0,0,1,0|2,0,1]=4 30 B8R1.7 NC(=O)c1cscn1 WXVL_AK0084SC0092 [0,0,0,0,1,0|1,0,2]=4 31 B8R1.7 NC(=O)c1cscn1 WXVL_AK0084SC0092 [0,0,0,0,1,0|1,0,2]=4 32 B8R1.7 NC(=O)c1csnn1 WXVL_AK0084SC0002 [0,0,0,0,1,0|2,0,1]=4 33 B8R1.7 NC(=O)c1csnn1 WXVL_AK0084SC0002 [0,0,0,0,1,0|2,0,1]=4 34 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [1,0,1,0,0,0|1,0,1]=4 35 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [1,0,1,0,0,0|1,0,1]=4 36 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,0,1,0,0,0|1,0,0]=3 37 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [1,0,1,0,0,0|1,0,0]=3 38 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [1,0,1,0,0,0|2,0,0]=4 39 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [1,0,1,0,0,0|2,0,0]=4 40 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [1,0,1,0,0,0|2,0,0]=4 42 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,0,1,0,0,0|1,0,1]=4 43 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,0,1,0,0,0|1,0,1]=4 44 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [1,0,1,0,0,0|1,1,0]=4 45 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [1,0,1,0,0,0|1,1,0]=4 46 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,0,1,0,0,0|0,0,1]=3 47 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,0,1,0,0,0|0,0,1]=3 48 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [1,0,1,0,0,0|2,0,0]=4 49 B7R0.5 CC/C=C(\C)/C(=O)N WXVL_AK0084SB0037 [1,0,1,0,0,0|2,0,0]=4 50 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,0,1,0,0,0|0,1,0]=3 51 B7R0.5 CCNC(=O)C(=O)C WXVL_AK00476SB0051 [1,0,1,0,0,0|0,1,0]=3 52 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [1,0,1,0,0,0|1,1,0]=4 53 B7R0.5 CCNC(=O)C(=O)N WXVL_AK00476SB0128 [1,0,1,0,0,0|1,1,0]=4 54 B9R0.47 C#CCCNC(=O)C(=O)C WXVL_AK3109SB0051 [0,1,1,0,0,0|1,0,1]=4 55 B9R0.47 C#CCCNC(=O)C(=O)C WXVL_AK3109SB0051 [0,1,1,0,0,0|1,0,1]=4 56 B9R0.47 C=CCCNC(=O)C(=O)C WXVL_AK00138SB0051 [0,1,1,0,0,0|1,0,0]=3 57 B9R0.47 C=CCCNC(=O)C(=O)C WXVL_AK00138SB0051 [0,1,1,0,0,0|1,0,0]=3 58 B9R0.47 C=CCCNC(=O)C(=O)N WXVL_AK00138SB0128 [0,1,1,0,0,0|2,0,0]=4 59 B9R0.47 C=CCCNC(=O)C(=O)N WXVL_AK00138SB0128 [0,1,1,0,0,0|2,0,0]=4 60 B9R0.47 CC(=O)C(=O)NCCC#N WXVL_AK0087SB0051 [0,1,1,0,0,0|2,0,0]=4 61 B9R0.47 CC(=O)C(=O)NCCC#N WXVL_AK0087SB0051 [0,1,1,0,0,0|2,0,0]=4 62 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,1,1,0,0,0|2,0,0]=4 63 B9R0.47 CC(=O)C(=O)NCCCO WXVL_AK0073SB0051 [0,1,1,0,0,0|2,0,0]=4 64 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,1,1,0,0,0|1,0,1]=4 65 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [0,1,1,0,0,0|1,0,1]=4 66 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,1,1,0,0,0|0,0,1]=3 67 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,1,1,0,0,0|0,0,1]=3 68 B9R0.47 CSCCNC(=O)C(=O)N WXVL_AK00440SB0128 [0,1,1,0,0,0|1,0,1]=4 69 B9R0.47 CSCCNC(=O)C(=O)N WXVL_AK00440SB0128 [0,1,1,0,0,0|1,0,1]=4 70 B9R0.6 CC(=O)C(=O)N(C)CCO WXVL_AN2670SB0051 [0,1,1,0,0,0|1,1,0]=4 71 B9R0.6 CC(=O)C(=O)N(C)CCO WXVL_AN2670SB0051 [0,1,1,0,0,0|1,1,0]=4 72 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,1,1,0,0,0|2,0,0]=4 73 B9R0.7 CC(=O)C(=O)NCC(C)C WXVL_AK00544SB0051 [0,1,1,0,0,0|2,0,0]=4 74 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,1,1,0,0,0|1,1,0]=4 75 B9R0.7 CC(=O)C(=O)NCC(C)O WXVL_AK0052SB0051 [0,1,1,0,0,0|1,1,0]=4 76 B9R0.7 CC(=O)C(=O)NCC(F)F WXVL_AK0136SB0051 [0,1,1,0,0,0|2,0,0]=4 77 B9R0.7 CC(=O)C(=O)NCC(F)F WXVL_AK0136SB0051 [0,1,1,0,0,0|2,0,0]=4 78 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,1,1,0,0,0|1,1,0]=4 79 B9R0.7 CC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB0051 [0,1,1,0,0,0|1,1,0]=4 80 B9R0.8 CCC(=O)C(=O)NCCF WXVL_AK00466SB0344 [0,1,1,0,0,0|2,0,0]=4 81 B9R0.8 CCC(=O)C(=O)NCCF WXVL_AK00466SB0344 [0,1,1,0,0,0|2,0,0]=4 82 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,1,1,0,0,0|2,0,0]=4 83 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [0,1,1,0,0,0|2,0,0]=4 84 B9R0.42 CC(=O)C(=O)N[C@@H](C)CF WXVL_AK00558SB0051 [0,1,1,0,0,0|2,0,0]=4 85 B9R0.42 CC(=O)C(=O)N[C@@H](C)CF WXVL_AK00558SB0051 [0,1,1,0,0,0|2,0,0]=4 86 B9R0.42 CC(=O)C(=O)N[C@@H](C)CO WXVL_AK0109SB0051 [0,1,1,0,0,0|1,1,0]=4 87 B9R0.42 CC(=O)C(=O)N[C@@H](C)CO WXVL_AK0109SB0051 [0,1,1,0,0,0|1,1,0]=4 88 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,1,1,0,0,0|2,0,0]=4 89 B9R0.42 CC[C@H](C)NC(=O)C(=O)C WXVL_AK00678SB0051 [0,1,1,0,0,0|2,0,0]=4 90 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,0,1,0|1,0,1]=4 91 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [0,1,0,0,1,0|1,0,1]=4 92 B9R1.11 CNC(=O)c1ccsc1 WXVL_AK00442SC0054 [0,1,0,0,1,0|0,0,2]=4 93 B9R1.11 CNC(=O)c1ccsc1 WXVL_AK00442SC0054 [0,1,0,0,1,0|0,0,2]=4 94 B9R1.11 CNC(=O)c1cnc[nH]1 WXVL_AK00442SC0247 [0,1,0,0,1,0|1,0,1]=4 95 B9R1.11 CNC(=O)c1cnc[nH]1 WXVL_AK00442SC0247 [0,1,0,0,1,0|1,0,1]=4 96 B9R1.11 CNC(=O)c1cscn1 WXVL_AK00442SC0092 [0,1,0,0,1,0|0,0,2]=4 97 B9R1.11 CNC(=O)c1cscn1 WXVL_AK00442SC0092 [0,1,0,0,1,0|0,0,2]=4 98 B9R1.11 CNC(=O)c1csnn1 WXVL_AK00442SC0002 [0,1,0,0,1,0|1,0,1]=4 99 B9R1.11 CNC(=O)c1csnn1 WXVL_AK00442SC0002 [0,1,0,0,1,0|1,0,1]=4 100 B9R1.41 CC1=C(CCO1)C(=O)N WXVL_AK0084SC00025 [0,1,0,0,1,0|1,1,0]=4 101 B9R1.41 CC1=C(CCO1)C(=O)N WXVL_AK0084SC00025 [0,1,0,0,1,0|1,1,0]=4 102 B11R1.16 CCNC(=O)C1=CCCCO1 WXVL_AK00476SB4858 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.16 CCNC(=O)C1=CCCCO1 WXVL_AK00476SB4858 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.16 CCNC(=O)C1=COCCC1 WXVL_AK00476SB2928 [0,2,0,0,0,0|1,1,0]=4 105 B11R1.16 CCNC(=O)C1=COCCC1 WXVL_AK00476SB2928 [0,2,0,0,0,0|1,1,0]=4 106 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,0,1,1,0,0|2,0,0]=4 107 B9R1.112 CC(=O)C(=O)NC1CC1 WXVL_AK0001SB0051 [0,0,1,1,0,0|2,0,0]=4