FAIRMol

Docking results

Sortable table and score distributions for docking results. The default view collapses poses to one best pose per ligand so decisions start from compounds, not pose duplicates.

DB SELECTION
Ligand priority Target report Viewer Experiments Reverse docking
605 ligands default: one best pose per compound ★ Native available
L. major PTR1 · T04
L. major PDB 7PXX
Protein: Pteridine reductase 1
Overall assessment for L. major PTR1
Promising The target looks mixed: there are usable hits, but visual review and native-contact context still matter.
Open target report
0Strong
84Promising
385Weak
136Reject
605/605SASA ready
Good signs: Excellent LE (-3.418 kcal/mol/HA) · Good fit quality (FQ -17.92) · Deep burial (92% SASA buried)
Watch-outs: Moderate strain (14.9 kcal/mol) · No H-bonds detected · Geometry warnings
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Jaccard Contact recall HB recall HB role recall Assessment ↕ GDS
1 ulfkktlib_1694
T04
 0 -27.343 -2.4958 -3.4304 10 6 0.32 0.32 0.67 0.60 Promising —
2 ulfkktlib_323
T04
 0 -29.637 -2.4791 -3.3028 10 6 0.32 0.32 0.67 0.60 Promising —
3 ulfkktlib_3029
T04
 0 -33.583 -2.2396 -3.0668 9 6 0.32 0.32 0.67 0.60 Weak —
4 ulfkktlib_1323
T04
 1
2 total
 -23.289 -2.0333 -2.3866 5 9 0.40 0.42 0.17 0.20 Promising —
5 ulfkktlib_1710
T04
 3
4 total
 -33.414 -2.0173 -3.0528 9 6 0.32 0.32 0.67 0.60 Weak —
6 ulfkktlib_1196
T04
 1
2 total
 -29.959 -1.9270 -2.7404 8 6 0.32 0.32 0.50 0.40 Weak —
7 ulfkktlib_433
T04
 3
4 total
 -29.358 -1.8712 -2.6858 8 6 0.32 0.32 0.50 0.40 Weak —
8 NMT-TY0116
T04
 0 -30.556 -1.8035 -2.7778 8 7 0.37 0.37 0.83 0.80 Promising —
9 ulfkktlib_3397
T04
 0 -30.955 -1.6327 -2.5966 8 8 0.42 0.42 0.50 0.40 Weak —
10 ulfkktlib_3266
T04
 0 -24.281 -1.5696 -2.4281 3 5 0.26 0.26 0.17 0.20 Promising SAFE
GDS₃ 0.596
P=63%
11 ulfkktlib_3299
T04
 0 -25.059 -1.5587 -2.5059 3 4 0.21 0.21 0.33 0.40 Promising —
12 ulfkktlib_3068
T04
 1
2 total
 -25.182 -1.5429 -2.5182 3 5 0.26 0.26 0.17 0.20 Promising UNSAFE
GDS₃ 0.565
P=37%
13 Z57201291
T04
 0 -26.160 -1.4850 -2.2901 8 8 0.35 0.37 0.33 0.40 Weak —
14 ulfkktlib_3165
T04
 0 -22.955 -1.4171 -2.2248 4 5 0.26 0.26 0.17 0.20 Weak UNSAFE
GDS₃ 0.559
P=33%
15 ulfkktlib_3127
T04
 1
2 total
 -20.929 -1.3080 -2.1736 3 10 0.53 0.53 0.17 0.40 Weak —
16 NMT-TY0358
T04
 0 -21.806 -1.2993 -2.2129 3 8 0.42 0.42 0.33 0.40 Promising —
17 ulfkktlib_3034
T04
 0 -23.453 -1.1400 -2.1999 5 10 0.53 0.53 0.67 0.60 Promising —
18 NMT-TY0526
T04
 0 -26.394 -1.1335 -2.6151 5 10 0.53 0.53 0.33 0.40 Promising —
19 Z56772175
T04
 0 -26.208 -1.0671 -1.8573 6 11 0.58 0.58 0.67 0.60 Promising —
20 Z1069312128
T04
 0 -21.147 -1.0490 -1.8319 6 14 0.65 0.68 0.33 0.40 Promising —
21 ulfkktlib_1190
T04
 0 -23.977 -1.0173 -2.9971 5 6 0.32 0.32 0.67 0.60 Promising —
22 ulfkktlib_1468
T04
 2
3 total
 -30.569 -0.9667 -3.0411 8 5 0.26 0.26 0.67 0.60 Promising —
23 TC345
T04
 0 -27.765 -0.9575 -1.9285 4 11 0.58 0.58 0.33 0.40 Weak —
24 Z56917368
T04
 0 -24.556 -0.9491 -1.6835 1 9 0.47 0.47 0.00 0.00 Weak —
25 ulfkktlib_3336
T04
 0 -24.687 -0.9355 -2.7430 2 5 0.26 0.26 0.17 0.20 Promising SAFE
GDS₃ 0.610
P=76%
26 ulfkktlib_3596
T04
 0 -19.147 -0.8730 -1.6996 6 11 0.50 0.53 0.33 0.40 Promising —
27 Z85934155
T04
 0 -24.216 -0.8099 -1.7323 3 9 0.47 0.47 0.33 0.40 Promising —
28 ulfkktlib_3497
T04
 0 -18.258 -0.7742 -1.7077 3 12 0.63 0.63 0.17 0.40 Weak —
29 Z56347099
T04
 0 -22.374 -0.7687 -1.4397 3 11 0.58 0.58 0.33 0.40 Promising UNSAFE
GDS₃ 0.333
P=11%
30 Z25108145
T04
 0 -25.499 -0.7671 -1.4208 3 10 0.53 0.53 0.17 0.20 Promising —
31 Z271702786
T04
 0 -25.837 -0.7429 -1.5345 1 11 0.58 0.58 0.17 0.20 Promising —
32 Z19654250
T04
 0 -25.471 -0.7271 -1.3452 1 10 0.53 0.53 0.17 0.20 Weak —
33 Z25102896
T04
 0 -23.373 -0.7158 -1.5291 5 11 0.58 0.58 0.17 0.20 Promising —
34 ulfkktlib_2967
T04
 0 -25.018 -0.7143 -2.4548 4 5 0.26 0.26 0.50 0.60 Promising —
35 Z57198677
T04
 0 -26.667 -0.7095 -1.6114 2 12 0.63 0.63 0.17 0.20 Weak —
36 ulfkktlib_3042
T04
 0 -37.057 -0.6979 -3.1202 13 6 0.32 0.32 0.83 0.80 Weak —
37 Z2755722093
T04
 0 -21.659 -0.6860 -1.5733 6 11 0.50 0.53 0.33 0.20 Promising —
38 Z756440056
T04
 1
2 total
 -21.964 -0.6814 -1.6250 5 11 0.58 0.58 0.33 0.20 Promising —
39 Z361880710
T04
 0 -21.117 -0.6812 -1.5961 2 11 0.58 0.58 0.00 0.20 Weak —
40 ulfkktlib_3276
T04
 0 -25.557 -0.6785 -2.8396 3 5 0.26 0.26 0.33 0.40 Promising —
41 ulfkktlib_3329
T04
 0 -24.246 -0.6649 -2.4246 7 5 0.26 0.26 0.67 0.60 Promising —
42 ulfkktlib_2947
T04
 0 -30.056 -0.6576 -2.5046 5 6 0.32 0.32 0.50 0.60 Promising —
43 Z29325821
T04
 0 -22.495 -0.6278 -1.2452 1 10 0.53 0.53 0.17 0.20 Weak —
44 OHD_TC2_31
T04
 0 -22.541 -0.6192 -1.3575 5 12 0.63 0.63 0.50 0.40 Weak —
45 ulfkktlib_350
T04
 0 -25.298 -0.6117 -1.7393 6 11 0.58 0.58 0.50 0.60 Weak —
46 NMT-TY0171
T04
 0 -25.117 -0.5856 -1.3213 1 12 0.63 0.63 0.00 0.00 Weak —
47 Z55982019
T04
 0 -23.179 -0.5741 -1.6993 4 9 0.47 0.47 0.33 0.40 Weak —
48 OHD_TC2_32
T04
 0 -20.438 -0.5706 -1.3325 5 12 0.63 0.63 0.50 0.40 Weak —
49 NMT-TY0723
T04
 0 -28.260 -0.5562 -2.4691 6 8 0.42 0.42 0.50 0.60 Promising —
50 Z30857856
T04
 0 -23.217 -0.5433 -1.1459 0 13 0.60 0.63 0.00 0.00 Weak —
51 OHD_Babesia_38
T04
 0 -24.891 -0.5239 -1.3395 1 10 0.53 0.53 0.00 0.00 Weak —
52 ulfkktlib_3352
T04
 0 -23.839 -0.5121 -2.3828 2 7 0.37 0.37 0.17 0.20 Promising UNSAFE
GDS₃ 0.324
P=22%
53 ulfkktlib_1716
T04
 0 -24.676 -0.5071 -1.9385 5 10 0.53 0.53 0.67 0.60 Weak —
54 Z55981969
T04
 0 -27.878 -0.5064 -1.6489 5 10 0.53 0.53 0.33 0.40 Weak —
55 Z19650589
T04
 0 -24.291 -0.5012 -1.4060 1 12 0.63 0.63 0.17 0.20 Weak —
56 Z1083211952
T04
 0 -28.137 -0.4926 -1.4245 2 12 0.63 0.63 0.00 0.20 Weak —
57 ulfkktlib_1020
T04
 0 -22.918 -0.4892 -1.4114 4 11 0.58 0.58 0.50 0.60 Weak —
58 Z25107406
T04
 0 -26.872 -0.4869 -1.3408 2 13 0.68 0.68 0.17 0.20 Weak —
59 ulfkktlib_3064
T04
 1
2 total
 -27.883 -0.4804 -1.7266 3 11 0.58 0.58 0.17 0.40 Weak —
60 NMT-TY0413
T04
 0 -24.788 -0.4802 -1.5127 2 11 0.58 0.58 0.17 0.20 Weak —
61 Z56851286
T04
 0 -25.165 -0.4801 -1.3952 2 10 0.53 0.53 0.17 0.20 Weak —
62 Z27167190
T04
 0 -37.621 -0.4723 -1.2942 4 13 0.68 0.68 0.17 0.20 Promising —
63 ulfkktlib_1146
T04
 0 -24.610 -0.4615 -1.5429 3 10 0.53 0.53 0.50 0.60 Weak —
64 NMT-TY0442
T04
 0 -26.430 -0.4491 -1.3574 2 12 0.63 0.63 0.17 0.20 Promising —
65 NMT-TY0722
T04
 0 -27.289 -0.4277 -2.5650 6 7 0.37 0.37 0.50 0.40 Weak —
66 Z1546616193
T04
 0 -24.202 -0.4261 -1.4015 3 10 0.53 0.53 0.33 0.40 Promising —
67 ulfkktlib_1198
T04
 2
3 total
 -27.381 -0.4138 -2.7607 10 7 0.37 0.37 0.67 0.60 Promising —
68 Z1509345389
T04
 0 -25.001 -0.4124 -1.5134 2 10 0.53 0.53 0.33 0.40 Weak —
69 OHD_Leishmania_486
T04
 0 -25.401 -0.4065 -1.4109 4 11 0.58 0.58 0.17 0.20 Weak —
70 NMT-TY0368
T04
 0 -24.240 -0.4024 -1.4107 4 12 0.63 0.63 0.67 0.60 Weak —
71 ulfkktlib_517
T04
 0 -21.188 -0.3956 -1.6161 7 10 0.53 0.53 0.67 0.60 Weak —
72 Z193658696
T04
 0 -24.297 -0.3914 -1.4349 1 12 0.63 0.63 0.17 0.20 Weak —
73 Z25106808
T04
 0 -26.549 -0.3824 -1.1709 2 11 0.58 0.58 0.17 0.20 Promising SAFE
GDS₃ 0.366
P=76%
74 NMT-TY0377
T04
 0 -24.172 -0.3789 -2.4172 4 7 0.37 0.37 0.50 0.40 Promising —
75 Z16042309
T04
 0 -26.772 -0.3766 -1.1775 0 12 0.63 0.63 0.00 0.00 Weak —
76 ulfkktlib_1722
T04
 0 -24.432 -0.3749 -2.2645 6 10 0.53 0.53 0.67 0.60 Promising —
77 Z18650921
T04
 0 -20.305 -0.3734 -0.9049 1 11 0.58 0.58 0.17 0.20 Promising SAFE
GDS₃ 0.409
P=76%
78 NMT-TY0528
T04
 0 -27.878 -0.3708 -1.4582 3 12 0.63 0.63 0.17 0.20 Weak —
79 NMT-TY0568
T04
 0 -28.403 -0.3489 -2.4451 6 9 0.47 0.47 0.50 0.60 Promising —
80 OHD_TC1_72
T04
 0 -22.504 -0.3465 -1.0899 2 12 0.63 0.63 0.17 0.20 Weak —
81 ulfkktlib_1464
T04
 0 -23.995 -0.3121 -2.1814 1 7 0.37 0.37 0.17 0.20 Promising SAFE
GDS₃ 0.520
P=79%
82 NMT-TY0203
T04
 0 -23.968 -0.3091 -2.1789 8 6 0.32 0.32 0.67 0.60 Promising —
83 ulfkktlib_1249
T04
 0 -24.017 -0.2948 -1.1294 1 13 0.60 0.63 0.00 0.00 Weak —
84 Z30217191
T04
 0 -22.826 -0.2931 -0.8877 5 14 0.65 0.68 0.33 0.20 Weak —
85 ulfkktlib_3273
T04
 0 -26.072 -0.2890 -1.3309 2 10 0.53 0.53 0.17 0.20 Reject —
86 NMT-TY0361
T04
 0 -26.900 -0.2833 -2.4455 4 8 0.42 0.42 0.50 0.40 Weak —
87 ulfkktlib_339
T04
 0 -26.464 -0.2749 -1.2398 11 12 0.63 0.63 0.67 0.60 Reject —
88 ulfkktlib_1453
T04
 2
3 total
 -24.145 -0.2736 -2.1950 1 7 0.37 0.37 0.17 0.20 Promising UNSAFE
GDS₃ 0.484
P=41%
89 NMT-TY0719
T04
 0 -26.510 -0.2683 -2.2941 3 9 0.47 0.47 0.50 0.60 Promising —
90 TC357
T04
 0 -24.235 -0.2602 -1.4921 5 11 0.58 0.58 0.33 0.40 Weak —
91 Z147200608
T04
 0 -23.158 -0.2543 -1.2157 7 12 0.55 0.58 0.17 0.20 Weak —
92 Z1162463429
T04
 0 -24.487 -0.2454 -1.4558 3 9 0.47 0.47 0.33 0.20 Weak —
93 OHD_Leishmania_162
T04
 0 -25.851 -0.2402 -1.6884 5 12 0.63 0.63 0.33 0.40 Weak —
94 Z16042352
T04
 0 -23.163 -0.2309 -1.0805 2 11 0.58 0.58 0.00 0.00 Weak —
95 Z1546616194
T04
 0 -23.525 -0.2275 -1.4269 9 10 0.53 0.53 0.33 0.20 Reject —
96 Z45956756
T04
 0 -20.103 -0.2213 -1.3719 1 10 0.53 0.53 0.17 0.20 Weak —
97 ulfkktlib_1446
T04
 0 -24.225 -0.2151 -2.2023 1 5 0.26 0.26 0.00 0.00 Promising —
98 ulfkktlib_1410
T04
 0 -27.005 -0.1945 -2.2504 2 7 0.37 0.37 0.17 0.20 Promising UNSAFE
GDS₃ 0.478
P=13%
99 NMT-TY0770
T04
 0 -27.184 -0.1915 -2.2813 5 7 0.37 0.37 0.50 0.60 Promising —
100 ulfkktlib_2560
T04
 0 -28.088 -0.1868 -1.3701 4 10 0.53 0.53 0.33 0.40 Weak —
101 Z193526954
T04
 0 -24.130 -0.1821 -1.3305 1 12 0.63 0.63 0.17 0.20 Weak —
102 KB_chagas_121
T04
 0 -22.732 -0.1707 -1.0827 0 10 0.53 0.53 0.00 0.00 Weak —
103 NMT-TY0206
T04
 0 -28.274 -0.1706 -2.3561 4 9 0.47 0.47 0.33 0.40 Promising —
104 Z45884652
T04
 0 -27.669 -0.1690 -1.3458 1 10 0.53 0.53 0.17 0.20 Weak —
105 Z26404236
T04
 0 -23.654 -0.1629 -1.0933 1 10 0.53 0.53 0.17 0.20 Weak —
106 ulfkktlib_1142
T04
 0 -24.501 -0.1594 -1.5542 3 9 0.47 0.47 0.17 0.20 Weak UNSAFE
GDS₃ 0.552
P=7%
107 ulfkktlib_2559
T04
 0 -28.619 -0.1545 -1.3338 4 10 0.53 0.53 0.33 0.40 Weak —
108 Z136482696
T04
 0 -24.012 -0.1521 -1.1100 0 13 0.68 0.68 0.00 0.00 Weak —
109 NMT-TY0835
T04
 0 -24.292 -0.1506 -1.4576 6 11 0.58 0.58 0.67 0.80 Reject —
110 Z56792679
T04
 0 -18.726 -0.1458 -1.1684 1 11 0.58 0.58 0.17 0.20 Weak —
111 NMT-TY0370
T04
 0 -27.137 -0.1408 -2.2441 6 9 0.47 0.47 0.50 0.60 Weak —
112 ulfkktlib_2914
T04
 2
3 total
 -24.902 -0.1345 -2.2639 1 8 0.42 0.42 0.17 0.20 Promising UNSAFE
GDS₃ 0.482
P=22%
113 NMT-TY0566
T04
 0 -25.200 -0.1270 -1.4099 5 13 0.68 0.68 0.83 0.80 Weak —
114 Z25107081
T04
 0 -29.033 -0.1249 -1.5043 2 10 0.53 0.53 0.17 0.20 Weak —
115 Z199510764
T04
 0 -21.255 -0.1150 -1.1067 5 11 0.58 0.58 0.33 0.40 Weak —
116 Z871871932
T04
 0 -25.422 -0.1148 -2.2623 7 9 0.47 0.47 0.50 0.40 Weak —
117 ulfkktlib_3115
T04
 0 -31.644 -0.1138 -1.7656 13 11 0.58 0.58 0.83 0.80 Weak —
118 Z19651549
T04
 0 -25.335 -0.1097 -1.2996 2 13 0.68 0.68 0.00 0.00 Weak —
119 NMT-TY0114
T04
 0 -27.024 -0.0989 -2.2520 6 8 0.42 0.42 0.50 0.60 Promising —
120 ulfkktlib_1706
T04
 0 -24.385 -0.0886 -2.2168 1 8 0.42 0.42 0.17 0.20 Promising SAFE
GDS₃ 0.578
P=79%
121 ulfkktlib_338
T04
 0 -20.128 -0.0823 -1.3935 7 13 0.68 0.68 0.50 0.40 Weak —
122 ulfkktlib_2902
T04
 0 -24.263 -0.0705 -2.0219 1 6 0.32 0.32 0.17 0.20 Weak —
123 Z30538241
T04
 0 -19.917 -0.0614 -0.8865 0 15 0.62 0.68 0.00 0.00 Weak —
124 Z26824006
T04
 0 -35.401 -0.0600 -1.4109 2 11 0.58 0.58 0.17 0.20 Weak —
125 TC409
T04
 0 -21.422 -0.0588 -0.9405 3 10 0.53 0.53 0.17 0.20 Weak —
126 NMT-TY0102
T04
 1
2 total
 -25.994 -0.0502 -2.1662 3 9 0.47 0.47 0.50 0.60 Promising —
127 KB_Leish_169
T04
 0 -22.374 -0.0474 -0.8926 1 11 0.58 0.58 0.17 0.20 Weak —
128 ulfkktlib_3182
T04
 0 -24.683 -0.0416 -1.3340 1 9 0.47 0.47 0.17 0.20 Weak —
129 KB_Leish_117
T04
 0 -22.169 -0.0367 -1.0579 0 13 0.60 0.63 0.00 0.00 Weak —
130 ulfkktlib_2525
T04
 1
2 total
 -19.366 -0.0267 -1.0915 1 12 0.63 0.63 0.17 0.20 Weak —
131 OHD_TC1_122
T04
 0 -21.997 -0.0202 -1.3432 4 11 0.58 0.58 0.33 0.40 Weak —
132 Z266766868
T04
 0 -21.675 -0.0098 -1.0456 2 12 0.63 0.63 0.00 0.00 Weak —
133 ulfkktlib_1546
T04
 0 -16.623 -0.0094 -1.2953 1 10 0.53 0.53 0.17 0.20 Weak —
134 Z45732238
T04
 0 -21.810 -0.0058 -0.9821 1 13 0.68 0.68 0.17 0.20 Weak —
135 Z27668296
T04
 0 -25.604 -0.0008 -1.2170 2 9 0.47 0.47 0.17 0.20 Weak —
136 Z2445761031
T04
 0 -22.526 0.0009 -1.9085 8 9 0.47 0.47 0.67 0.60 Promising —
137 NMT-TY0834
T04
 0 -25.241 0.0030 -2.0054 4 11 0.58 0.58 0.50 0.60 Promising —
138 Z56786752
T04
 0 -28.792 0.0055 -1.3707 4 11 0.58 0.58 0.33 0.40 Promising —
139 NMT-TY0569
T04
 0 -25.209 0.0064 -1.2420 8 12 0.63 0.63 0.50 0.40 Weak —
140 NMT-TY0201
T04
 0 -24.285 0.0069 -1.0266 0 13 0.68 0.68 0.00 0.00 Weak —
141 Z85501289
T04
 0 -24.620 0.0168 -1.0784 1 11 0.50 0.53 0.00 0.00 Weak —
142 ulfkktlib_3164
T04
 1
2 total
 -25.416 0.0182 -2.8240 2 7 0.37 0.37 0.17 0.20 Promising —
143 Z45956743
T04
 0 -19.807 0.0185 -1.3739 1 10 0.53 0.53 0.17 0.20 Weak —
144 KB_chagas_77
T04
 0 -20.850 0.0186 -1.0087 2 11 0.58 0.58 0.17 0.20 Weak —
145 OHD_Leishmania_11
T04
 0 -22.490 0.0280 -1.0874 2 11 0.58 0.58 0.00 0.00 Weak —
146 KB_HAT_185
T04
 0 -22.143 0.0296 -0.9466 9 14 0.43 0.53 0.33 0.40 Weak —
147 NMT-TY0448
T04
 0 -26.704 0.0360 -1.3558 3 13 0.68 0.68 0.17 0.20 Weak —
148 Z334929348
T04
 0 -22.470 0.0434 -1.1528 3 11 0.58 0.58 0.33 0.40 Weak —
149 NMT-TY0324
T04
 0 -24.180 0.0466 -2.0150 3 10 0.53 0.53 0.17 0.20 Weak —
150 Z31122017
T04
 0 -25.982 0.0476 -1.3232 1 11 0.58 0.58 0.17 0.20 Weak —
151 Z68348244
T04
 0 -21.488 0.0511 -0.8913 0 12 0.55 0.58 0.00 0.00 Reject —
152 Z29673175
T04
 0 -41.870 0.0560 -1.3564 3 12 0.63 0.63 0.17 0.20 Weak —
153 OHD_TB2020_32
T04
 0 -28.487 0.0618 -1.0065 1 12 0.63 0.63 0.17 0.20 Weak —
154 Z19750784
T04
 0 -21.769 0.0630 -1.1434 1 12 0.63 0.63 0.00 0.00 Weak —
155 Z30217254
T04
 0 -25.582 0.0737 -0.9710 5 12 0.55 0.58 0.33 0.20 Weak —
156 NMT-TY0570
T04
 0 -24.215 0.0758 -1.4587 6 11 0.58 0.58 0.67 0.80 Weak —
157 ulfkktlib_1417
T04
 0 -30.604 0.1010 -2.3125 11 9 0.47 0.47 0.67 0.60 Weak —
158 ulfkktlib_1314
T04
 0 -28.773 0.1059 -1.2381 3 13 0.68 0.68 0.33 0.40 Weak —
159 NMT-TY0525
T04
 0 -25.968 0.1134 -1.3597 2 13 0.68 0.68 0.17 0.20 Reject —
160 Z57781571
T04
 0 -20.922 0.1134 -0.9297 3 13 0.60 0.63 0.17 0.20 Weak —
161 Z56833421
T04
 0 -25.532 0.1160 -0.9684 2 12 0.55 0.58 0.17 0.20 Weak —
162 NMT-TY0616
T04
 0 -27.704 0.1208 -0.9143 0 14 0.57 0.63 0.00 0.00 Weak —
163 OHD_TB2020_31
T04
 0 -28.300 0.1297 -0.9400 1 12 0.63 0.63 0.17 0.20 Weak —
164 Z28636648
T04
 0 -19.614 0.1469 -0.9718 1 8 0.42 0.42 0.17 0.20 Weak —
165 NMT-TY0808
T04
 0 -23.343 0.1508 -1.3087 8 12 0.63 0.63 0.83 0.80 Weak —
166 Z31216107
T04
 0 -18.905 0.1545 -1.3302 1 11 0.58 0.58 0.17 0.20 Reject —
167 Z44355151
T04
 0 -25.368 0.1613 -1.2100 0 10 0.53 0.53 0.00 0.00 Weak SAFE
GDS₃ 0.334
P=74%
168 Z48847467
T04
 0 -18.012 0.1618 -0.9703 1 12 0.63 0.63 0.17 0.20 Weak SAFE
GDS₃ 0.402
P=65%
169 Z56893149
T04
 0 -25.136 0.1631 -2.0947 1 8 0.42 0.42 0.17 0.20 Weak —
170 NMT-TY0106
T04
 0 -25.593 0.1642 -1.9441 4 10 0.53 0.53 0.50 0.60 Promising —
171 ulfkktlib_1309
T04
 0 -24.182 0.1652 -1.2204 4 13 0.68 0.68 0.17 0.20 Weak —
172 Z56811143
T04
 0 -23.800 0.1775 -0.9401 0 13 0.68 0.68 0.00 0.00 Weak —
173 ulfkktlib_2918
T04
 5
6 total
 -24.200 0.1852 -2.6889 2 4 0.21 0.21 0.17 0.20 Promising SAFE
GDS₃ 0.552
P=57%
174 NMT-TY0749
T04
 0 -26.144 0.1994 -2.0030 6 10 0.53 0.53 0.50 0.60 Promising —
175 NMT-TY0625
T04
 0 -23.666 0.2072 -0.9514 1 14 0.65 0.68 0.17 0.20 Reject —
176 Z1530532759
T04
 0 -19.582 0.2115 -1.0816 5 11 0.58 0.58 0.67 0.80 Weak —
177 KB_Leish_49
T04
 0 -29.185 0.2247 -1.0886 0 12 0.55 0.58 0.00 0.00 Weak —
178 Z56851748
T04
 0 -16.719 0.2249 -1.1088 1 14 0.74 0.74 0.00 0.20 Weak —
179 NMT-TY0138
T04
 0 -27.220 0.2279 -1.9761 5 11 0.58 0.58 0.50 0.60 Weak —
180 Z19650505
T04
 0 -22.828 0.2291 -1.0645 1 12 0.63 0.63 0.00 0.00 Reject —
181 NMT-TY0562
T04
 0 -25.373 0.2329 -1.2414 6 13 0.68 0.68 0.83 0.80 Weak —
182 Z29885101
T04
 0 -25.273 0.2335 -1.6510 1 10 0.53 0.53 0.17 0.20 Weak —
183 Z16382127
T04
 0 -27.529 0.2338 -0.9126 0 12 0.63 0.63 0.00 0.00 Weak —
184 Z29077812
T04
 0 4.468 0.2398 -0.9538 0 10 0.53 0.53 0.00 0.00 Reject —
185 Z29466855
T04
 0 -20.412 0.2404 -1.0799 0 13 0.60 0.63 0.00 0.00 Weak —
186 Z391939430
T04
 0 -22.581 0.2446 -1.2215 1 12 0.63 0.63 0.00 0.00 Weak —
187 Z14487205
T04
 0 -23.152 0.2486 -1.1025 2 12 0.63 0.63 0.17 0.20 Weak SAFE
GDS₃ 0.424
P=74%
188 Z18651473
T04
 0 -24.220 0.2533 -0.8061 2 13 0.68 0.68 0.33 0.40 Weak SAFE
GDS₃ 0.435
P=76%
189 ulfkktlib_1731
T04
 0 -28.869 0.2568 -2.0886 10 9 0.47 0.47 0.67 0.60 Weak —
190 NMT-TY0103
T04
 0 -23.579 0.2651 -1.9074 5 8 0.42 0.42 0.50 0.60 Promising —
191 Z45956789
T04
 0 -22.267 0.2709 -1.2930 1 10 0.53 0.53 0.17 0.20 Weak —
192 Z19456272
T04
 0 -19.663 0.2710 -0.8112 2 14 0.65 0.68 0.17 0.20 Weak SAFE
GDS₃ 0.407
P=72%
193 Z27360481
T04
 0 -9.135 0.2717 -1.0729 3 12 0.63 0.63 0.00 0.00 Weak —
194 Z57728761
T04
 0 -20.354 0.2752 -1.0559 1 11 0.58 0.58 0.17 0.20 Weak SAFE
GDS₃ 0.322
P=60%
195 Z45956772
T04
 0 -22.024 0.2770 -1.2002 1 10 0.53 0.53 0.17 0.20 Weak —
196 ulfkktlib_1786
T04
 0 -23.821 0.2796 -2.6468 2 4 0.21 0.21 0.17 0.20 Promising SAFE
GDS₃ 0.552
P=54%
197 Z49606031
T04
 0 -23.160 0.2820 -0.8572 3 14 0.65 0.68 0.33 0.20 Reject —
198 Z19574276
T04
 0 -24.621 0.2854 -0.9076 1 14 0.74 0.74 0.00 0.00 Weak —
199 KB_chagas_185
T04
 0 -24.741 0.3014 -0.9637 1 11 0.58 0.58 0.17 0.20 Weak SAFE
GDS₃ 0.388
P=58%
200 Z1198180960
T04
 0 -25.407 0.3016 -2.1225 2 7 0.37 0.37 0.17 0.20 Weak —
201 ulfkktlib_3027
T04
 0 -17.375 0.3047 -1.7409 5 10 0.53 0.53 0.50 0.60 Weak —
202 Z104344420
T04
 0 -20.022 0.3083 -0.8862 3 12 0.63 0.63 0.50 0.60 Weak —
203 NMT-TY0623
T04
 0 -22.959 0.3085 -0.8920 1 16 0.59 0.68 0.17 0.20 Weak —
204 Z20255081
T04
 0 -24.243 0.3272 -0.8400 2 13 0.60 0.63 0.00 0.00 Weak —
205 Z151832316
T04
 0 -21.458 0.3433 -0.8080 1 12 0.55 0.58 0.17 0.20 Weak —
206 NMT-TY0118
T04
 0 -24.247 0.3483 -1.8650 5 10 0.53 0.53 0.50 0.40 Weak —
207 TC426
T04
 0 -23.256 0.3494 -0.9957 4 10 0.53 0.53 0.50 0.60 Weak —
208 NMT-TY0929
T04
 0 -25.604 0.3554 -0.9789 2 13 0.60 0.63 0.00 0.00 Weak —
209 TC287
T04
 0 -27.022 0.3592 -1.8591 5 10 0.53 0.53 0.33 0.40 Promising —
210 NMT-TY0959
T04
 0 -24.885 0.3629 -0.9263 2 13 0.60 0.63 0.00 0.00 Weak —
211 Z31111650
T04
 0 -19.695 0.3634 -1.2713 1 9 0.47 0.47 0.17 0.20 Weak —
212 NMT-TY0615
T04
 0 -22.336 0.3664 -0.8794 1 16 0.59 0.68 0.17 0.20 Reject —
213 ulfkktlib_3216
T04
 0 -24.127 0.3689 -1.1390 2 12 0.63 0.63 0.17 0.20 Weak —
214 Z56821211
T04
 0 -20.781 0.3693 -1.0258 11 12 0.48 0.53 0.33 0.20 Weak —
215 Z19223273
T04
 0 -25.479 0.3698 -0.9219 1 12 0.63 0.63 0.17 0.20 Weak UNSAFE
GDS₃ 0.387
P=22%
216 Z1269163651
T04
 0 -30.000 0.3710 -1.8249 7 9 0.47 0.47 0.50 0.40 Weak —
217 NMT-TY0117
T04
 0 -24.830 0.3716 -1.9996 5 12 0.63 0.63 0.67 0.80 Promising —
218 Z108564466
T04
 0 -21.790 0.3743 -1.6054 4 10 0.53 0.53 0.33 0.40 Weak —
219 TC551
T04
 0 -27.211 0.3752 -1.1039 8 11 0.58 0.58 0.67 0.80 Weak —
220 KB_chagas_34
T04
 0 -24.749 0.3756 -0.8522 0 14 0.65 0.68 0.00 0.00 Weak —
221 ulfkktlib_1547
T04
 0 -19.335 0.3798 -1.1468 1 11 0.58 0.58 0.17 0.20 Weak —
222 Z2694498001
T04
 0 -22.921 0.3859 -1.0388 4 11 0.58 0.58 0.00 0.00 Weak —
223 NMT-TY0655
T04
 0 -22.200 0.3939 -0.8634 2 17 0.64 0.74 0.17 0.20 Reject —
224 Z26441123
T04
 0 -22.087 0.4155 -0.9960 1 10 0.53 0.53 0.17 0.20 Weak —
225 Z56845221
T04
 0 -25.758 0.4155 -1.3967 3 11 0.58 0.58 0.33 0.40 Promising SAFE
GDS₃ 0.359
P=57%
226 Z25044315
T04
 0 -25.314 0.4246 -1.0231 0 12 0.63 0.63 0.00 0.00 Weak —
227 ulfkktlib_3054
T04
 0 -26.387 0.4253 -2.1958 7 13 0.68 0.68 0.50 0.60 Weak —
228 Z27708919
T04
 0 -25.052 0.4260 -1.0893 2 12 0.63 0.63 0.17 0.20 Weak —
229 Z56772994
T04
 0 -22.931 0.4269 -0.8714 4 14 0.57 0.63 0.00 0.20 Weak —
230 NMT-TY0621
T04
 0 -25.519 0.4313 -0.8559 1 14 0.57 0.63 0.17 0.20 Weak —
231 Z56773052
T04
 0 -23.785 0.4322 -0.9249 1 11 0.58 0.58 0.17 0.20 Weak —
232 NMT-TY0748
T04
 0 -26.077 0.4373 -1.8095 5 8 0.42 0.42 0.50 0.60 Promising —
233 Z33480205
T04
 1
2 total
 -26.245 0.4378 -0.9504 0 11 0.50 0.53 0.00 0.00 Reject —
234 Z19160931
T04
 0 -25.263 0.4408 -0.9782 4 13 0.68 0.68 0.33 0.40 Weak —
235 ulfkktlib_1515
T04
 0 -27.914 0.4460 -1.0852 2 12 0.55 0.58 0.00 0.00 Reject —
236 ulfkktlib_1434
T04
 0 -25.964 0.4478 -2.5964 2 4 0.21 0.21 0.17 0.20 Promising UNSAFE
GDS₃ 0.546
P=20%
237 Z45956720
T04
 0 -19.012 0.4498 -1.0414 2 10 0.53 0.53 0.33 0.40 Weak —
238 ulfkktlib_1613
T04
 1
2 total
 -20.761 0.4559 -0.8790 1 12 0.63 0.63 0.00 0.00 Weak —
239 Z30200182
T04
 0 -34.231 0.4569 -1.2154 2 9 0.47 0.47 0.17 0.20 Weak —
240 Z275023406
T04
 0 -25.452 0.4626 -0.9527 0 11 0.50 0.53 0.00 0.00 Weak —
241 NMT-TY0115
T04
 0 -24.135 0.4661 -1.8565 3 10 0.53 0.53 0.50 0.60 Weak —
242 Z45956704
T04
 0 -17.371 0.4686 -1.1319 1 10 0.53 0.53 0.17 0.20 Reject —
243 Z57009636
T04
 0 -24.709 0.4692 -1.2318 2 11 0.58 0.58 0.17 0.20 Weak —
244 NMT-TY0939
T04
 0 -19.237 0.4731 -0.9351 4 13 0.60 0.63 0.17 0.40 Reject —
245 Z56802793
T04
 0 -25.319 0.4757 -1.4736 3 11 0.58 0.58 0.33 0.40 Promising UNSAFE
GDS₃ 0.370
P=6%
246 Z54323248
T04
 0 -22.051 0.4804 -0.8581 5 12 0.55 0.58 0.33 0.40 Reject —
247 Z2061732387
T04
 0 -21.011 0.4880 -1.8870 6 7 0.37 0.37 0.50 0.60 Promising —
248 NMT-TY0163
T04
 0 -32.850 0.4896 -2.0638 9 9 0.47 0.47 0.50 0.60 Weak —
249 ulfkktlib_1480
T04
 0 -26.612 0.4927 -2.6828 10 7 0.37 0.37 0.67 0.60 Promising —
250 ulfkktlib_1087
T04
 0 -13.686 0.5035 -1.3296 6 13 0.68 0.68 0.83 0.80 Weak —
251 NMT-TY0140
T04
 0 -33.067 0.5072 -2.0598 13 9 0.47 0.47 0.83 0.80 Reject —
252 Z49728506
T04
 0 -23.456 0.5111 -1.0852 1 10 0.53 0.53 0.17 0.20 Weak —
253 ulfkktlib_2892
T04
 1
2 total
 -25.430 0.5113 -2.5431 2 4 0.21 0.21 0.17 0.20 Promising SAFE
GDS₃ 0.573
P=76%
254 ulfkktlib_1070
T04
 0 -25.116 0.5145 -1.3301 1 10 0.53 0.53 0.00 0.00 Weak —
255 Z17141440
T04
 0 -24.304 0.5164 -1.3656 2 10 0.53 0.53 0.17 0.20 Promising SAFE
GDS₃ 0.401
P=77%
256 Z203037860
T04
 0 -23.934 0.5217 -1.7197 1 7 0.37 0.37 0.17 0.20 Promising UNSAFE
GDS₃ 0.513
P=10%
257 KB_HAT_18
T04
 0 -21.770 0.5244 -0.9202 5 13 0.60 0.63 0.33 0.20 Weak —
258 Z46589685
T04
 0 -19.659 0.5250 -0.8504 5 12 0.55 0.58 0.50 0.40 Weak —
259 NMT-TY0601
T04
 0 -26.352 0.5314 -0.9165 1 14 0.65 0.68 0.17 0.20 Reject —
260 ulfkktlib_3079
T04
 0 -18.694 0.5370 -1.2546 10 11 0.58 0.58 0.67 0.60 Reject —
261 OHD_TB2021_45
T04
 0 -13.811 0.5385 -0.9430 1 15 0.70 0.74 0.00 0.20 Weak —
262 Z25106961
T04
 0 -30.121 0.5398 -1.2059 3 12 0.63 0.63 0.17 0.20 Weak —
263 KB_chagas_32
T04
 0 -19.804 0.5398 -0.9182 4 14 0.74 0.74 0.00 0.20 Weak —
264 Z56772918
T04
 0 -21.795 0.5428 -0.9261 2 11 0.58 0.58 0.33 0.40 Weak UNSAFE
GDS₃ 0.346
P=8%
265 TC485
T04
 0 -25.760 0.5439 -0.7124 1 14 0.57 0.63 0.17 0.20 Weak —
266 NMT-TY0180
T04
 0 -42.040 0.5464 -1.5985 5 9 0.47 0.47 0.33 0.40 Reject —
267 ulfkktlib_1025
T04
 0 -21.551 0.5473 -0.8839 1 10 0.53 0.53 0.17 0.20 Weak —
268 Z45956760
T04
 0 -18.734 0.5531 -1.1029 2 11 0.58 0.58 0.17 0.20 Weak —
269 Z15406525
T04
 0 -20.930 0.5547 -0.6883 1 12 0.63 0.63 0.00 0.00 Reject —
270 ulfkktlib_3171
T04
 0 -22.460 0.5587 -1.7037 4 9 0.47 0.47 0.33 0.40 Promising —
271 ulfkktlib_3013
T04
 0 -35.357 0.5691 -2.5402 12 6 0.32 0.32 0.83 0.80 Weak —
272 Z32269704
T04
 0 -19.572 0.5700 -1.0843 2 9 0.47 0.47 0.17 0.20 Weak —
273 Z19809915
T04
 0 -18.994 0.5704 -1.0436 3 13 0.68 0.68 0.33 0.40 Weak UNSAFE
GDS₃ 0.360
P=14%
274 Z28296699
T04
 0 -23.593 0.5708 -1.2021 2 9 0.47 0.47 0.17 0.20 Weak —
275 ulfkktlib_1154
T04
 1
2 total
 -26.320 0.5778 -1.8581 8 11 0.58 0.58 0.67 0.60 Weak —
276 ulfkktlib_3102
T04
 0 -25.250 0.5851 -1.9423 2 8 0.42 0.42 0.17 0.20 Weak —
277 Z44355105
T04
 0 -26.257 0.5852 -1.0923 1 9 0.47 0.47 0.17 0.20 Weak —
278 NMT-TY0624
T04
 0 -21.190 0.6040 -0.9427 4 15 0.70 0.74 0.50 0.40 Reject —
279 NMT-TY0976
T04
 0 -26.017 0.6044 -0.9882 1 13 0.68 0.68 0.17 0.20 Weak —
280 KB_chagas_114
T04
 0 -22.809 0.6081 -1.1040 1 12 0.63 0.63 0.17 0.20 Weak —
281 Z56876364
T04
 0 -22.476 0.6127 -1.5463 8 10 0.53 0.53 0.33 0.20 Weak —
282 Z27679030
T04
 0 -33.805 0.6133 -1.0909 3 9 0.47 0.47 0.17 0.20 Reject —
283 OHD_TB2020_34
T04
 0 -25.719 0.6350 -0.9480 1 12 0.63 0.63 0.17 0.20 Reject —
284 TC408
T04
 0 -32.038 0.6384 -1.0895 4 13 0.60 0.63 0.33 0.40 Weak —
285 NMT-TY0768
T04
 1
2 total
 -23.371 0.6500 -0.9224 8 12 0.63 0.63 0.50 0.40 Weak —
286 ulfkktlib_1038
T04
 0 -26.470 0.6513 -1.5829 10 12 0.55 0.58 0.67 0.60 Weak —
287 Z18369007
T04
 0 -23.759 0.6552 -1.3400 1 11 0.58 0.58 0.17 0.20 Promising —
288 Z56870382
T04
 0 -14.826 0.6607 -0.7478 2 14 0.57 0.63 0.00 0.00 Weak —
289 Z19696461
T04
 0 -24.027 0.6665 -0.9612 4 13 0.68 0.68 0.33 0.40 Weak —
290 OHD_ACDS_48
T04
 0 -16.014 0.6734 -0.7961 1 13 0.60 0.63 0.00 0.00 Weak —
291 OHD_MAC_72
T04
 0 -23.530 0.6766 -0.8502 6 13 0.68 0.68 0.50 0.40 Weak —
292 Z27739534
T04
 0 -25.289 0.6791 -0.9116 2 12 0.55 0.58 0.00 0.00 Reject —
293 KB_Leish_43
T04
 0 -24.609 0.6839 -0.8928 6 13 0.45 0.53 0.33 0.20 Weak —
294 ulfkktlib_1422
T04
 0 -25.777 0.6859 -2.4138 3 8 0.42 0.42 0.17 0.40 Promising —
295 ulfkktlib_1078
T04
 0 -15.445 0.6924 -1.4674 9 10 0.53 0.53 0.67 0.60 Weak —
296 NMT-TY0433
T04
 0 -22.926 0.6940 -0.8427 4 15 0.42 0.53 0.00 0.00 Reject —
297 ulfkktlib_3189
T04
 0 -23.573 0.7062 -1.2672 2 11 0.58 0.58 0.17 0.20 Reject —
298 Z1546610471
T04
 0 -22.688 0.7144 -1.6500 4 11 0.58 0.58 0.50 0.60 Promising —
299 KB_chagas_192
T04
 0 -24.197 0.7145 -1.4898 4 11 0.58 0.58 0.33 0.40 Weak —
300 NMT-TY0957
T04
 0 -21.515 0.7278 -0.8815 2 14 0.65 0.68 0.00 0.00 Weak —
301 Z18451981
T04
 0 -30.611 0.7359 -1.4853 3 14 0.65 0.68 0.33 0.40 Promising —
302 Z18970050
T04
 0 -26.575 0.7396 -0.8772 0 12 0.63 0.63 0.00 0.00 Weak —
303 TC553
T04
 0 -26.699 0.7424 -0.9517 7 12 0.55 0.58 0.50 0.80 Weak —
304 ulfkktlib_3193
T04
 0 -25.966 0.7425 -2.3605 6 6 0.32 0.32 0.50 0.40 Promising —
305 Z286182030
T04
 0 -21.596 0.7491 -1.1295 6 13 0.68 0.68 0.33 0.40 Reject —
306 Z18390219
T04
 0 -15.724 0.7618 -0.8552 1 12 0.63 0.63 0.17 0.20 Weak —
307 Z56815073
T04
 0 -21.171 0.7708 -0.7535 0 16 0.59 0.68 0.00 0.00 Reject —
308 Z49628846
T04
 0 -23.411 0.7755 -0.9167 1 12 0.63 0.63 0.17 0.20 Reject —
309 ulfkktlib_3277
T04
 0 -23.209 0.7795 -1.2961 3 12 0.63 0.63 0.17 0.20 Reject —
310 NMT-TY0168
T04
 0 -28.041 0.7815 -1.7013 6 11 0.58 0.58 0.50 0.60 Weak —
311 OHD_TB2022_30
T04
 0 -24.016 0.7856 -1.2465 5 10 0.53 0.53 0.50 0.60 Reject —
312 Z49719002
T04
 0 -25.091 0.7901 -1.6489 5 11 0.58 0.58 0.17 0.40 Weak —
313 Z57392960
T04
 0 -28.178 0.7918 -1.0822 4 14 0.43 0.53 0.17 0.20 Weak —
314 NMT-TY0943
T04
 0 -26.579 0.8053 -0.9568 1 13 0.60 0.63 0.00 0.00 Reject —
315 ulfkktlib_2375
T04
 0 -26.211 0.8088 -1.6717 6 9 0.47 0.47 0.50 0.40 Weak —
316 ulfkktlib_1530
T04
 0 -20.808 0.8311 -1.1111 2 12 0.63 0.63 0.33 0.40 Weak —
317 Z15971864
T04
 0 -27.637 0.8437 -0.9548 2 12 0.55 0.58 0.17 0.20 Weak —
318 ulfkktlib_1548
T04
 0 -18.601 0.8542 -1.0025 1 12 0.63 0.63 0.17 0.20 Weak —
319 KB_HAT_12
T04
 0 -20.247 0.8604 -1.1064 2 13 0.68 0.68 0.17 0.40 Promising —
320 Z18498694
T04
 0 -24.721 0.8643 -1.4763 2 10 0.53 0.53 0.17 0.20 Promising —
321 NMT-TY0968
T04
 0 -27.229 0.8651 -0.8508 4 14 0.65 0.68 0.17 0.20 Reject —
322 OHD_Leishmania_91
T04
 0 -21.120 0.8744 -0.7013 1 17 0.57 0.68 0.17 0.20 Reject —
323 OHD_TB2023_22
T04
 0 -22.285 0.8802 -1.2785 2 10 0.53 0.53 0.17 0.20 Weak —
324 OHD_Leishmania_372
T04
 0 -20.314 0.8860 -0.9273 3 13 0.68 0.68 0.17 0.20 Weak —
325 KB_Leish_50
T04
 0 -30.225 0.8865 -1.4371 1 10 0.53 0.53 0.00 0.00 Weak —
326 Z27116094
T04
 0 -27.480 0.8867 -0.7745 1 11 0.50 0.53 0.17 0.20 Reject —
327 KB_Leish_102
T04
 0 -26.462 0.8905 -1.1698 2 13 0.52 0.58 0.00 0.00 Weak —
328 ulfkktlib_1327
T04
 1
2 total
 -29.388 0.8946 -1.7596 4 11 0.58 0.58 0.50 0.60 Weak —
329 OHD_TB2020_35
T04
 0 -26.189 0.8978 -0.9558 2 13 0.68 0.68 0.17 0.20 Weak —
330 OHD_TB2022_32
T04
 0 -30.982 0.8989 -1.2686 4 12 0.55 0.58 0.67 0.80 Reject —
331 Z31233664
T04
 0 -25.843 0.9097 -1.4304 1 9 0.47 0.47 0.17 0.20 Weak UNSAFE
GDS₃ 0.398
P=20%
332 Z55694322
T04
 0 -23.131 0.9125 -0.7428 0 15 0.70 0.74 0.00 0.00 Reject —
333 Z1509637175
T04
 0 -21.372 0.9153 -1.6446 6 11 0.58 0.58 0.67 0.60 Weak —
334 OHD_ACDS_46
T04
 0 -20.714 0.9222 -0.7803 1 13 0.60 0.63 0.00 0.00 Weak —
335 Z19918112
T04
 0 -23.723 0.9256 -0.8517 1 13 0.60 0.63 0.17 0.20 Weak —
336 OHD_Leishmania_374
T04
 0 -22.164 0.9433 -1.5190 10 10 0.45 0.47 0.33 0.20 Weak —
337 Z49545335
T04
 0 -22.038 0.9487 -1.1222 2 9 0.47 0.47 0.33 0.40 Weak —
338 KB_chagas_122
T04
 0 -21.981 0.9703 -0.8366 1 11 0.58 0.58 0.17 0.20 Weak UNSAFE
GDS₃ 0.402
P=31%
339 Z49831918
T04
 0 -24.422 0.9755 -0.9399 0 13 0.60 0.63 0.00 0.00 Weak —
340 ulfkktlib_1127
T04
 1
2 total
 -20.472 0.9837 -0.9810 4 14 0.74 0.74 0.17 0.40 Reject —
341 Z277559108
T04
 0 -23.934 0.9857 -1.9905 8 12 0.55 0.58 0.33 0.40 Promising —
342 Z31714845
T04
 0 -29.427 0.9957 -1.3469 1 12 0.63 0.63 0.17 0.20 Weak SAFE
GDS₃ 0.431
P=75%
343 Z16588308
T04
 0 -22.482 1.0003 -0.9190 5 11 0.58 0.58 0.17 0.20 Weak SAFE
GDS₃ 0.401
P=78%
344 ulfkktlib_912
T04
 0 -27.368 1.0080 -1.7066 1 10 0.53 0.53 0.17 0.20 Weak —
345 Z49597668
T04
 0 -31.243 1.0101 -0.9220 3 12 0.55 0.58 0.17 0.20 Reject —
346 NMT-TY0824
T04
 0 -25.128 1.0156 -1.5344 5 11 0.58 0.58 0.50 0.60 Weak —
347 NMT-TY0164
T04
 0 -26.807 1.0195 -1.5916 9 11 0.58 0.58 0.83 0.80 Weak —
348 Z28626011
T04
 0 -23.579 1.0199 -0.6996 2 17 0.57 0.68 0.00 0.00 Reject —
349 Z44425700
T04
 0 -15.493 1.0285 -1.0954 2 13 0.68 0.68 0.17 0.20 Weak —
350 ulfkktlib_913
T04
 0 -26.112 1.0438 -1.6282 1 10 0.53 0.53 0.17 0.20 Weak —
351 ulfkktlib_921
T04
 0 -38.245 1.0516 -1.0098 6 12 0.63 0.63 0.33 0.40 Reject —
352 Z57457148
T04
 0 -16.213 1.0555 -1.0895 1 13 0.68 0.68 0.17 0.20 Weak —
353 Z166630988
T04
 0 -23.430 1.0634 -1.0122 2 10 0.53 0.53 0.17 0.20 Weak —
354 TC261
T04
 0 -21.823 1.0646 -1.3778 5 12 0.63 0.63 0.50 0.40 Weak —
355 Z1381260618
T04
 0 -23.976 1.0656 -1.8664 5 10 0.53 0.53 0.67 0.60 Promising —
356 ulfkktlib_1157
T04
 0 -16.006 1.0758 -1.3676 1 11 0.58 0.58 0.17 0.20 Weak UNSAFE
GDS₃ 0.479
P=13%
357 Z228865348
T04
 0 -26.980 1.0759 -1.1719 3 9 0.47 0.47 0.33 0.40 Weak UNSAFE
GDS₃ 0.422
P=37%
358 ulfkktlib_2377
T04
 0 -25.877 1.0877 -1.9877 2 9 0.47 0.47 0.17 0.20 Weak —
359 NMT-TY0822
T04
 0 -27.244 1.0978 -1.5038 7 13 0.68 0.68 0.83 0.80 Weak —
360 NMT-TY0671
T04
 0 -23.896 1.1130 -0.8376 1 14 0.57 0.63 0.17 0.20 Reject —
361 NMT-TY0920
T04
 0 -23.123 1.1135 -0.8777 3 15 0.62 0.68 0.17 0.20 Reject —
362 Z317384116
T04
 0 -29.814 1.1164 -1.1417 2 13 0.68 0.68 0.33 0.40 Weak —
363 OHD_TB2020_21
T04
 0 -26.286 1.1187 -1.7613 6 12 0.63 0.63 0.83 0.80 Weak —
364 Z16286645
T04
 0 -17.914 1.1211 -0.8693 5 14 0.43 0.53 0.33 0.40 Reject —
365 Z19315281
T04
 0 -23.454 1.1270 -1.1097 2 9 0.47 0.47 0.33 0.40 Weak —
366 OHD_Leishmania_346
T04
 0 -19.339 1.1295 -1.0052 1 11 0.58 0.58 0.17 0.20 Weak —
367 Z29883830
T04
 0 -26.393 1.1343 -1.0355 2 12 0.55 0.58 0.17 0.20 Weak —
368 NMT-TY0371
T04
 1
2 total
 -28.121 1.1343 -1.4724 7 13 0.68 0.68 0.83 0.80 Weak —
369 KB_HAT_24
T04
 0 -22.413 1.1415 -0.7163 1 17 0.50 0.63 0.00 0.00 Weak —
370 Z29884022
T04
 0 -26.124 1.1550 -1.1834 2 11 0.58 0.58 0.33 0.40 Weak —
371 Z196117804
T04
 0 -23.805 1.1557 -1.1966 2 9 0.47 0.47 0.33 0.40 Weak —
372 ulfkktlib_1125
T04
 0 -23.293 1.1573 -0.9624 2 12 0.63 0.63 0.17 0.20 Reject —
373 Z25044401
T04
 0 -25.059 1.1620 -1.2246 3 13 0.68 0.68 0.17 0.20 Weak —
374 Z275022626
T04
 0 -26.846 1.1639 -1.1191 3 12 0.55 0.58 0.17 0.20 Weak —
375 Z46567393
T04
 0 -23.778 1.1689 -1.3892 1 11 0.58 0.58 0.17 0.20 Weak —
376 Z49712217
T04
 0 -25.969 1.1701 -1.1515 1 10 0.53 0.53 0.17 0.20 Weak —
377 Z92416800
T04
 0 -26.564 1.1845 -1.0739 2 13 0.60 0.63 0.17 0.20 Weak —
378 Z19696757
T04
 0 -18.462 1.1865 -1.1477 6 12 0.63 0.63 0.67 0.60 Weak —
379 Z19649670
T04
 0 -25.120 1.1887 -1.3038 2 11 0.58 0.58 0.17 0.20 Weak —
380 ulfkktlib_1342
T04
 0 -23.888 1.1969 -0.9730 3 14 0.74 0.74 0.17 0.20 Reject —
381 OHD_TC1_185
T04
 0 -23.746 1.2075 -1.0866 9 12 0.63 0.63 0.67 0.60 Weak —
382 NMT-TY0910
T04
 0 -25.341 1.2093 -1.3150 5 11 0.58 0.58 0.50 0.60 Weak —
383 ulfkktlib_425
T04
 0 -24.052 1.2100 -2.1866 2 4 0.21 0.21 0.17 0.20 Weak —
384 OHD_Leishmania_373
T04
 0 -29.273 1.2126 -1.2627 4 9 0.47 0.47 0.33 0.40 Weak —
385 OHD_Schistosoma_126
T04
 0 -19.357 1.2140 -1.1649 3 12 0.55 0.58 0.17 0.20 Weak —
386 Z49549408
T04
 0 -22.376 1.2157 -1.3194 8 12 0.63 0.63 0.50 0.40 Weak —
387 ulfkktlib_430
T04
 0 -22.967 1.2193 -1.2740 3 11 0.58 0.58 0.33 0.40 Weak UNSAFE
GDS₃ 0.643
P=40%
388 Z44848695
T04
 0 -20.976 1.2279 -0.8571 6 16 0.46 0.58 0.33 0.20 Weak —
389 Z31121995
T04
 0 -29.025 1.2422 -1.2655 1 11 0.58 0.58 0.17 0.20 Weak —
390 MK172
T04
 0 -24.698 1.2498 -0.8486 1 13 0.60 0.63 0.00 0.00 Weak SAFE
GDS₃ 0.349
P=61%
391 Z25103992
T04
 0 -25.321 1.2557 -1.5082 2 8 0.42 0.42 0.17 0.20 Promising SAFE
GDS₃ 0.384
P=81%
392 Z99599934
T04
 0 -24.420 1.2783 -1.0589 1 11 0.58 0.58 0.17 0.20 Reject —
393 CKP-39
T04
 0 -26.009 1.2795 -1.2555 2 11 0.58 0.58 0.33 0.40 Weak —
394 Z49597823
T04
 0 -25.075 1.2803 -0.6172 3 13 0.68 0.68 0.17 0.20 Weak —
395 Z85918290
T04
 0 -19.629 1.2806 -1.1367 2 11 0.58 0.58 0.17 0.20 Weak SAFE
GDS₃ 0.419
P=78%
396 Z654749884
T04
 0 -22.713 1.2857 -1.1377 2 12 0.63 0.63 0.17 0.20 Weak SAFE
GDS₃ 0.417
P=80%
397 OHD_TB2020_33
T04
 0 -24.200 1.2868 -0.7923 1 14 0.65 0.68 0.17 0.20 Reject —
398 ulfkktlib_3149
T04
 0 -22.280 1.2890 -2.0057 8 8 0.42 0.42 0.67 0.80 Weak —
399 OHD_MAC_7
T04
 1
2 total
 -15.989 1.3049 -0.9795 7 14 0.74 0.74 0.83 0.80 Reject —
400 Z44844875
T04
 0 -15.225 1.3105 -0.7922 5 15 0.42 0.53 0.17 0.20 Weak —
401 NMT-TY0541
T04
 0 -28.490 1.3109 -1.3051 8 13 0.68 0.68 0.83 0.80 Weak —
402 OHD_MAC_46
T04
 0 -22.737 1.3156 -0.8597 8 13 0.68 0.68 0.50 0.40 Weak —
403 OHD_Leishmania_129
T04
 0 -36.614 1.3267 -1.0437 7 15 0.70 0.74 1.00 1.00 Weak —
404 Z1541759504
T04
 0 -24.366 1.3340 -0.9387 1 10 0.45 0.47 0.17 0.20 Weak SAFE
GDS₃ 0.351
P=51%
405 Z19245134
T04
 0 -24.522 1.3426 -1.0644 2 9 0.47 0.47 0.17 0.20 Weak SAFE
GDS₃ 0.399
P=54%
406 Z49724748
T04
 0 -25.916 1.3501 -1.0182 7 12 0.48 0.53 0.33 0.20 Weak —
407 KB_Leish_31
T04
 0 -17.641 1.3506 -0.7557 1 12 0.55 0.58 0.17 0.20 Weak —
408 KB_chagas_124
T04
 0 -22.398 1.3951 -1.3197 7 10 0.53 0.53 0.17 0.20 Weak —
409 KB_chagas_149
T04
 0 -23.162 1.4010 -1.1776 1 11 0.58 0.58 0.17 0.20 Weak —
410 Z25831027
T04
 1
2 total
 -19.852 1.4017 -1.0034 4 14 0.65 0.68 0.33 0.60 Reject —
411 ulfkktlib_2984
T04
 1
2 total
 -23.963 1.4234 -1.5926 6 10 0.53 0.53 0.50 0.60 Weak —
412 NMT-TY0678
T04
 0 -24.673 1.4267 -0.7634 3 13 0.52 0.58 0.00 0.00 Reject —
413 OHD_MAC_40
T04
 0 -15.437 1.4312 -1.3278 4 11 0.58 0.58 0.50 0.60 Reject —
414 Z594284200
T04
 0 -24.617 1.4328 -1.6103 5 11 0.58 0.58 0.50 0.60 Promising —
415 KB_HAT_192
T04
 0 -24.852 1.4400 -0.7311 3 13 0.68 0.68 0.17 0.20 Reject —
416 OHD_TC1_9
T04
 0 -24.290 1.4521 -0.6682 1 15 0.55 0.63 0.17 0.20 Weak —
417 Z56811592
T04
 0 -28.545 1.4578 -1.0858 5 12 0.63 0.63 0.33 0.40 Weak —
418 Z126964124
T04
 0 -23.866 1.4579 -1.1395 2 9 0.47 0.47 0.33 0.40 Weak —
419 ulfkktlib_1044
T04
 0 -23.682 1.4618 -1.6359 5 11 0.58 0.58 0.17 0.40 Weak —
420 TC410
T04
 0 -25.088 1.4618 -1.0247 4 10 0.53 0.53 0.33 0.40 Weak —
421 Z112483722
T04
 0 -21.835 1.4655 -0.9474 2 10 0.53 0.53 0.17 0.20 Weak —
422 MK131
T04
 0 -22.262 1.4662 -0.8550 5 13 0.60 0.63 0.33 0.20 Reject —
423 Z25103234
T04
 0 -27.726 1.4675 -1.4658 2 9 0.47 0.47 0.17 0.20 Weak SAFE
GDS₃ 0.434
P=79%
424 OHD_TB2022_29
T04
 0 -22.636 1.4722 -0.9985 6 12 0.55 0.58 0.33 0.40 Reject —
425 ulfkktlib_3175
T04
 0 -23.935 1.4750 -1.4186 2 9 0.47 0.47 0.17 0.20 Weak SAFE
GDS₃ 0.472
P=53%
426 KB_chagas_75
T04
 0 -20.386 1.4812 -0.9213 2 12 0.55 0.58 0.17 0.20 Weak —
427 CKP-45
T04
 0 -26.315 1.4967 -1.1580 2 11 0.58 0.58 0.33 0.40 Weak —
428 Z649858184
T04
 0 -24.178 1.4995 -1.1858 2 13 0.68 0.68 0.17 0.20 Weak SAFE
GDS₃ 0.485
P=80%
429 TC271
T04
 0 -23.171 1.5063 -1.1352 4 15 0.70 0.74 0.33 0.20 Weak —
430 NMT-TY0139
T04
 0 -23.338 1.5262 -1.6212 6 10 0.53 0.53 0.67 0.80 Promising —
431 ulfkktlib_2382
T04
 1
2 total
 -23.782 1.5448 -1.7554 2 10 0.53 0.53 0.17 0.20 Weak —
432 OHD_MAC_22
T04
 0 -14.078 1.5450 -1.1316 5 12 0.63 0.63 0.50 0.40 Reject —
433 Z56776202
T04
 0 -23.918 1.5469 -1.1874 2 13 0.68 0.68 0.17 0.20 Weak —
434 OHD_MAC_28
T04
 0 -22.068 1.5689 -0.8146 9 14 0.74 0.74 0.67 0.60 Reject —
435 Z18452982
T04
 0 -29.960 1.5750 -1.3296 6 11 0.58 0.58 0.33 0.40 Reject —
436 NMT-TY0540
T04
 0 -27.274 1.5770 -1.3018 8 13 0.68 0.68 0.83 0.80 Reject —
437 OHD_Leishmania_236
T04
 0 -23.423 1.5829 -0.9949 3 10 0.53 0.53 0.17 0.20 Weak SAFE
GDS₃ 0.398
P=79%
438 ulfkktlib_3198
T04
 0 -22.543 1.6244 -1.3380 6 9 0.47 0.47 0.50 0.60 Weak —
439 TC484
T04
 0 -18.487 1.6247 -0.6018 4 16 0.67 0.74 0.50 0.40 Reject —
440 Z19656430
T04
 0 -22.366 1.6318 -0.9089 2 13 0.68 0.68 0.17 0.20 Weak SAFE
GDS₃ 0.408
P=76%
441 OHD_Leishmania_133
T04
 0 -29.817 1.6393 -0.8597 8 14 0.65 0.68 0.83 0.80 Reject —
442 OHD_TC1_182
T04
 0 -22.661 1.6416 -1.1919 2 10 0.53 0.53 0.33 0.40 Weak —
443 Z27504791
T04
 0 -23.438 1.6437 -0.9463 1 14 0.65 0.68 0.17 0.20 Weak —
444 OHD_MAC_44
T04
 0 -16.507 1.6482 -1.2130 4 12 0.63 0.63 0.50 0.60 Reject —
445 ulfkktlib_3181
T04
 0 -24.176 1.6500 -1.1536 1 11 0.58 0.58 0.17 0.20 Weak —
446 TC489
T04
 0 -24.621 1.6503 -0.7022 4 13 0.60 0.63 0.50 0.40 Reject —
447 ulfkktlib_1677
T04
 0 -21.651 1.6532 -0.7461 4 13 0.60 0.63 0.17 0.20 Weak —
448 Z44847963
T04
 0 -23.397 1.6555 -0.8922 9 15 0.42 0.53 0.33 0.20 Reject —
449 Z31408577
T04
 0 -22.137 1.6561 -0.9120 2 11 0.50 0.53 0.17 0.20 Weak —
450 Z15399962
T04
 0 -23.351 1.6622 -1.1960 2 12 0.63 0.63 0.17 0.20 Weak —
451 Z31546448
T04
 0 -21.400 1.6631 -0.7338 2 11 0.58 0.58 0.17 0.20 Reject —
452 KB_chagas_58
T04
 0 -21.480 1.6693 -0.9502 3 14 0.74 0.74 0.50 0.60 Reject —
453 Z27305363
T04
 0 -28.430 1.6694 -0.9899 2 14 0.50 0.58 0.17 0.20 Weak —
454 Z30206012
T04
 0 -20.560 1.6708 -1.0232 2 11 0.50 0.53 0.17 0.20 Weak —
455 OHD_Leishmania_132
T04
 0 -39.512 1.6715 -1.2550 6 13 0.60 0.63 0.83 0.80 Weak —
456 Z31122016
T04
 0 -27.380 1.6740 -1.1011 1 11 0.58 0.58 0.17 0.20 Weak —
457 Z26395442
T04
 0 -22.435 1.6780 -1.1447 4 12 0.63 0.63 0.17 0.20 Weak —
458 Z49728376
T04
 0 -24.928 1.6810 -1.1573 2 13 0.60 0.63 0.17 0.20 Weak —
459 ulfkktlib_1383
T04
 0 -24.396 1.6872 -1.0021 8 12 0.55 0.58 0.67 0.60 Weak —
460 NMT-TY0564
T04
 0 -25.683 1.6885 -1.2410 9 12 0.63 0.63 0.33 0.40 Weak —
461 Z56971423
T04
 0 -22.099 1.6889 -0.9108 3 15 0.79 0.79 0.50 0.60 Weak —
462 ulfkktlib_3174
T04
 0 -29.041 1.6991 -1.6238 9 9 0.47 0.47 0.67 0.60 Weak —
463 Z237649750
T04
 0 -21.608 1.6994 -1.0088 2 11 0.58 0.58 0.17 0.20 Weak —
464 Z19657359
T04
 0 -23.230 1.7022 -1.1890 2 11 0.58 0.58 0.17 0.20 Weak SAFE
GDS₃ 0.411
P=53%
465 NMT-TY0654
T04
 0 -22.358 1.7117 -1.0923 5 13 0.68 0.68 0.50 0.60 Reject —
466 OHD_MAC_43
T04
 0 -17.086 1.7240 -0.7787 7 13 0.60 0.63 0.50 0.40 Reject —
467 Z19657714
T04
 0 -20.840 1.7255 -1.0613 2 12 0.63 0.63 0.17 0.20 Weak UNSAFE
GDS₃ 0.401
P=31%
468 Z1157836593
T04
 0 -26.423 1.7300 -1.2086 2 13 0.68 0.68 0.17 0.20 Weak —
469 OHD_MAC_51
T04
 0 -18.091 1.7363 -0.7471 9 15 0.62 0.68 0.67 0.60 Reject —
470 Z24624059
T04
 0 -21.888 1.7373 -0.7941 3 11 0.50 0.53 0.17 0.20 Weak —
471 ulfkktlib_3012
T04
 1
2 total
 -22.718 1.7394 -1.4482 10 11 0.58 0.58 0.67 0.60 Weak —
472 Z56948577
T04
 0 -28.519 1.7443 -1.1562 2 12 0.63 0.63 0.17 0.20 Weak UNSAFE
GDS₃ 0.465
P=32%
473 Z1521553982
T04
 0 -36.263 1.7448 -1.0957 10 15 0.70 0.74 1.00 1.00 Reject —
474 OHD_Leishmania_131
T04
 0 -37.058 1.7464 -1.3691 7 15 0.70 0.74 1.00 1.00 Reject —
475 Z30199023
T04
 0 -25.814 1.7489 -1.1364 4 12 0.63 0.63 0.17 0.20 Weak —
476 OHD_MAC_64
T04
 0 -15.690 1.7584 -1.0275 4 12 0.63 0.63 0.50 0.60 Reject —
477 Z1557407327
T04
 0 -22.785 1.7711 -0.8504 2 14 0.74 0.74 0.17 0.20 Reject —
478 Z57676781
T04
 0 -25.571 1.7793 -1.0668 3 10 0.53 0.53 0.17 0.20 Weak SAFE
GDS₃ 0.397
P=75%
479 Z19574387
T04
 0 -29.180 1.7868 -1.0281 1 11 0.50 0.53 0.17 0.20 Weak SAFE
GDS₃ 0.342
P=78%
480 Z19652710
T04
 0 -26.158 1.8038 -1.3044 3 11 0.58 0.58 0.33 0.40 Weak —
481 Z19650983
T04
 0 -25.881 1.8054 -1.3369 2 10 0.53 0.53 0.17 0.20 Weak —
482 Z20271426
T04
 0 -23.674 1.8145 -0.9925 3 12 0.55 0.58 0.33 0.40 Weak —
483 OHD_MAC_78
T04
 0 -21.249 1.8186 -1.2629 6 10 0.53 0.53 0.50 0.60 Reject —
484 Z169788636
T04
 0 -21.907 1.8263 -1.1051 2 12 0.63 0.63 0.17 0.20 Weak —
485 KB_HAT_184
T04
 0 -22.082 1.8324 -1.0853 4 13 0.60 0.63 0.17 0.20 Weak —
486 KB_HAT_182
T04
 0 -21.076 1.8348 -1.0744 3 12 0.63 0.63 0.33 0.40 Weak —
487 Z18809786
T04
 0 -22.445 1.8488 -0.8830 1 11 0.50 0.53 0.17 0.20 Reject —
488 Z57515160
T04
 0 -20.078 1.8669 -1.4784 4 10 0.53 0.53 0.50 0.60 Weak —
489 Z49558975
T04
 0 -30.545 1.8840 -1.0673 4 12 0.55 0.58 0.33 0.20 Weak —
490 Z20006735
T04
 0 -25.886 1.8849 -1.0346 4 13 0.68 0.68 0.33 0.40 Weak —
491 TC419
T04
 0 -18.858 1.8979 -0.5924 5 17 0.64 0.74 0.67 0.60 Reject —
492 Z56789391
T04
 0 -22.213 1.8987 -1.0428 1 13 0.60 0.63 0.00 0.00 Weak —
493 Z57780857
T04
 0 -17.239 1.9047 -0.7144 3 10 0.45 0.47 0.33 0.40 Reject —
494 Z24623652
T04
 0 -24.654 1.9057 -0.9275 4 10 0.53 0.53 0.17 0.20 Weak —
495 Z57329641
T04
 0 -22.880 1.9228 -1.2472 2 15 0.70 0.74 0.17 0.20 Promising —
496 Z18369023
T04
 0 -24.939 1.9317 -1.0534 1 13 0.60 0.63 0.17 0.20 Weak —
497 TC360
T04
 0 -21.040 1.9336 -0.9372 3 13 0.60 0.63 0.33 0.40 Reject —
498 Z19656583
T04
 0 -20.878 1.9448 -0.8561 2 15 0.70 0.74 0.17 0.20 Weak SAFE
GDS₃ 0.366
P=76%
499 Z27686040
T04
 0 -23.855 1.9534 -1.1007 1 12 0.63 0.63 0.17 0.20 Weak —
500 Z1213651839
T04
 0 -22.904 1.9629 -0.6760 4 14 0.50 0.58 0.17 0.20 Reject —
501 Z19316089
T04
 0 -21.460 1.9663 -0.7465 1 9 0.47 0.47 0.17 0.20 Weak —
502 OHD_TC1_123
T04
 0 -23.813 1.9690 -1.3764 2 10 0.53 0.53 0.17 0.20 Weak —
503 Z275025498
T04
 0 -24.533 1.9693 -0.8891 2 11 0.58 0.58 0.17 0.20 Reject —
504 KB_chagas_2
T04
 0 -23.171 1.9698 -0.7835 2 12 0.55 0.58 0.00 0.00 Weak —
505 NMT-TY0549
T04
 0 -24.982 1.9732 -0.9111 7 15 0.79 0.79 0.67 0.80 Reject —
506 Z18665829
T04
 0 -26.254 1.9808 -0.8269 1 13 0.60 0.63 0.17 0.20 Weak SAFE
GDS₃ 0.436
P=78%
507 Z29149152
T04
 0 -25.369 1.9913 -0.9932 3 13 0.68 0.68 0.33 0.40 Weak —
508 Z49718975
T04
 0 -29.434 1.9932 -1.6343 2 11 0.58 0.58 0.17 0.20 Weak —
509 Z1213738863
T04
 0 -21.520 1.9936 -0.6494 2 14 0.57 0.63 0.17 0.20 Reject —
510 Z31119058
T04
 0 -24.299 1.9945 -1.0363 1 9 0.47 0.47 0.17 0.20 Weak SAFE
GDS₃ 0.449
P=53%
511 Z25626530
T04
 0 -21.304 1.9997 -0.9793 2 11 0.50 0.53 0.17 0.20 Reject —
512 Z29280095
T04
 0 -22.342 1.9998 -0.8761 1 13 0.60 0.63 0.17 0.20 Weak —
513 ulfkktlib_2832
T04
 0 -17.634 2.0089 -1.1732 8 12 0.63 0.63 0.67 0.60 Reject —
514 Z19459210
T04
 0 -20.313 2.0109 -0.8223 6 13 0.60 0.63 0.50 0.60 Weak —
515 OHD_MAC_1
T04
 0 -12.485 2.0151 -0.6442 8 15 0.70 0.74 0.50 0.40 Reject —
516 Z27631893
T04
 0 -27.324 2.0216 -1.0979 1 13 0.68 0.68 0.17 0.20 Reject —
517 KB_HAT_181
T04
 0 -20.711 2.0234 -1.0842 3 12 0.63 0.63 0.33 0.40 Reject —
518 Z57388696
T04
 0 -22.630 2.0238 -1.0504 5 9 0.47 0.47 0.17 0.20 Weak —
519 Z278071350
T04
 0 -24.553 2.0302 -0.8545 1 13 0.68 0.68 0.17 0.20 Weak —
520 NMT-TY0833
T04
 0 -21.947 2.0398 -1.0517 9 13 0.68 0.68 0.50 0.40 Reject —
521 NMT-TY0580
T04
 0 -26.347 2.0960 -0.9399 7 14 0.65 0.68 0.50 0.60 Reject —
522 TC284
T04
 0 -25.006 2.1007 -1.5305 5 10 0.53 0.53 0.33 0.40 Weak —
523 MK127
T04
 0 -22.778 2.1037 -0.8926 5 12 0.63 0.63 0.50 0.40 Reject —
524 Z19802103
T04
 0 -19.881 2.1126 -0.9203 4 11 0.58 0.58 0.33 0.40 Weak UNSAFE
GDS₃ 0.414
P=49%
525 OHD_TB2022_22
T04
 0 -35.045 2.1261 -1.1930 6 13 0.68 0.68 0.83 0.80 Weak —
526 Z19016181
T04
 0 -28.722 2.1345 -0.9454 4 14 0.57 0.63 0.33 0.40 Weak —
527 Z1521553597
T04
 0 -25.586 2.1352 -0.8544 4 12 0.63 0.63 0.33 0.40 Reject —
528 ulfkktlib_2781
T04
 0 -12.623 2.1634 -0.7177 3 13 0.45 0.53 0.00 0.00 Reject —
529 OHD_TB2022_31
T04
 0 -27.773 2.1742 -1.1891 6 11 0.58 0.58 0.50 0.60 Reject —
530 OHD_Leishmania_136
T04
 1
2 total
 -33.178 2.1832 -1.1169 5 12 0.63 0.63 0.67 0.80 Weak —
531 OHD_Leishmania_130
T04
 0 -34.099 2.1878 -1.0217 6 15 0.70 0.74 0.83 0.80 Reject —
532 TC552
T04
 0 -15.192 2.2052 -0.9869 5 13 0.60 0.63 0.33 0.40 Reject —
533 ulfkktlib_2441
T04
 0 -22.615 2.2101 -0.9069 1 11 0.50 0.53 0.17 0.20 Reject —
534 OHD_TB2022_3
T04
 0 -21.834 2.2201 -1.1597 2 11 0.58 0.58 0.17 0.20 Weak UNSAFE
GDS₃ 0.380
P=9%
535 Z16227301
T04
 0 -12.553 2.2728 -0.8856 9 12 0.63 0.63 0.83 0.80 Reject —
536 Z55185189
T04
 0 -24.880 2.2803 -1.0328 4 11 0.50 0.53 0.17 0.20 Weak —
537 MK159
T04
 0 -25.355 2.2957 -0.9593 6 10 0.45 0.47 0.17 0.20 Reject —
538 Z20230911
T04
 0 -26.612 2.3027 -1.0462 2 9 0.47 0.47 0.17 0.20 Weak —
539 Z49613286
T04
 0 -25.444 2.3041 -0.9591 4 12 0.55 0.58 0.17 0.20 Reject —
540 MK170
T04
 0 -25.948 2.3083 -0.9208 2 11 0.50 0.53 0.17 0.20 Reject —
541 OHD_Leishmania_454
T04
 0 -23.776 2.3171 -0.9226 2 9 0.47 0.47 0.17 0.20 Weak UNSAFE
GDS₃ 0.331
P=41%
542 Z49582855
T04
 0 -19.538 2.3261 -0.7333 2 14 0.65 0.68 0.17 0.20 Reject —
543 Z44831334
T04
 0 -15.364 2.3330 -0.8809 6 14 0.65 0.68 0.50 0.40 Weak —
544 MK156
T04
 0 -25.327 2.3416 -1.0374 2 11 0.50 0.53 0.17 0.20 Weak —
545 Z27728832
T04
 1
2 total
 -29.202 2.3571 -1.1402 2 12 0.55 0.58 0.17 0.20 Reject —
546 OHD_MAC_2
T04
 0 -19.771 2.3571 -0.6754 6 14 0.57 0.63 0.33 0.20 Reject —
547 OHD_TB2023_36
T04
 0 -19.769 2.3583 -0.6491 7 15 0.62 0.68 0.67 0.60 Reject —
548 NMT-TY0411
T04
 0 -20.021 2.3754 -1.2183 7 13 0.60 0.63 0.50 0.60 Weak —
549 Z16379965
T04
 0 -25.151 2.3812 -1.0041 2 11 0.58 0.58 0.17 0.20 Weak —
550 OHD_Leishmania_135
T04
 0 -29.081 2.3921 -0.9847 7 16 0.67 0.74 0.83 0.80 Reject —
551 KB_HAT_183
T04
 0 -22.331 2.3970 -0.9450 5 14 0.65 0.68 0.33 0.40 Reject —
552 OHD_MAC_41
T04
 0 -15.470 2.4202 -0.8376 8 14 0.50 0.58 0.33 0.20 Reject —
553 Z49728513
T04
 0 -24.377 2.4305 -1.2180 2 13 0.68 0.68 0.17 0.20 Weak —
554 NMT-TY0134
T04
 0 -25.499 2.4368 -1.7828 6 13 0.68 0.68 0.67 0.80 Weak —
555 ulfkktlib_1378
T04
 0 -27.551 2.4474 -0.8763 5 15 0.55 0.63 0.33 0.60 Reject —
556 OHD_Leishmania_125
T04
 0 -25.698 2.4502 -0.8464 5 15 0.70 0.74 0.67 0.80 Reject —
557 Z29514151
T04
 0 -22.865 2.4665 -0.7887 3 14 0.65 0.68 0.33 0.40 Weak SAFE
GDS₃ 0.398
P=79%
558 KB_Leish_15
T04
 0 -20.420 2.4721 -1.1880 2 10 0.53 0.53 0.17 0.20 Weak SAFE
GDS₃ 0.387
P=82%
559 MK178
T04
 0 -27.316 2.4810 -1.0033 3 13 0.45 0.53 0.17 0.20 Weak —
560 ulfkktlib_1662
T04
 0 -25.563 2.4827 -0.7483 2 12 0.63 0.63 0.17 0.20 Weak —
561 Z17586786
T04
 0 -28.328 2.5109 -0.9611 3 13 0.60 0.63 0.33 0.40 Weak —
562 OHD_Leishmania_134
T04
 0 -32.477 2.5152 -1.0056 9 16 0.52 0.63 0.83 0.80 Weak —
563 Z56768366
T04
 0 -22.236 2.5315 -0.8388 1 15 0.70 0.74 0.00 0.00 Weak —
564 OHD_Leishmania_128
T04
 0 -35.735 2.5325 -1.2245 10 14 0.65 0.68 1.00 1.00 Reject —
565 KB_chagas_51
T04
 0 -25.205 2.5331 -0.8599 3 14 0.57 0.63 0.50 0.60 Reject —
566 Z30164909
T04
 0 -18.902 2.5498 -0.9763 3 10 0.45 0.47 0.17 0.20 Weak —
567 Z25938730
T04
 0 -25.068 2.5515 -1.3634 3 9 0.47 0.47 0.17 0.20 Weak SAFE
GDS₃ 0.425
P=59%
568 Z18875956
T04
 0 -27.461 2.5610 -0.8253 2 12 0.63 0.63 0.17 0.20 Reject —
569 Z25831748
T04
 0 -38.207 2.5700 -1.0495 3 10 0.53 0.53 0.33 0.40 Reject —
570 MK179
T04
 0 -20.204 2.5727 -0.8033 2 12 0.48 0.53 0.33 0.40 Reject —
571 OHD_TbNat_134
T04
 0 -24.099 2.5917 -1.2487 5 10 0.53 0.53 0.67 0.60 Weak —
572 Z20242345
T04
 0 -22.734 2.6033 -1.2426 3 9 0.47 0.47 0.17 0.20 Reject —
573 Z57031292
T04
 0 -30.868 2.6093 -0.9307 1 13 0.68 0.68 0.17 0.20 Reject —
574 Z31546662
T04
 0 -27.204 2.6248 -0.7187 1 13 0.60 0.63 0.17 0.20 Reject —
575 Z73762419
T04
 0 -27.229 2.6375 -0.9351 2 12 0.55 0.58 0.17 0.20 Weak —
576 Z31287535
T04
 0 -27.725 2.6414 -0.7955 1 14 0.65 0.68 0.17 0.20 Reject —
577 ulfkktlib_1072
T04
 0 -24.962 2.6487 -0.6734 2 13 0.68 0.68 0.17 0.20 Weak —
578 Z29467292
T04
 0 -32.324 2.6647 -1.0329 3 12 0.55 0.58 0.17 0.20 Reject —
579 Z19638820
T04
 0 -20.078 2.7030 -0.7997 8 14 0.65 0.68 0.50 0.60 Reject —
580 OHD_MAC_3
T04
 0 -21.039 2.7268 -0.7136 6 16 0.59 0.68 0.50 0.40 Reject —
581 Z56919893
T04
 0 -26.850 2.7399 -1.0795 10 12 0.63 0.63 0.83 0.80 Weak —
582 Z46069310
T04
 0 -22.395 2.7544 -0.9577 2 11 0.58 0.58 0.33 0.40 Weak UNSAFE
GDS₃ 0.409
P=18%
583 Z19515050
T04
 0 -17.549 2.8079 -0.7704 2 13 0.52 0.58 0.17 0.20 Weak SAFE
GDS₃ 0.434
P=76%
584 OHD_MAC_10
T04
 0 -15.063 2.8585 -0.7715 6 15 0.55 0.63 0.50 0.60 Reject —
585 OHD_Leishmania_356
T04
 0 -19.643 2.8778 -0.7241 3 11 0.58 0.58 0.33 0.40 Weak —
586 ulfkktlib_2364
T04
 0 -19.056 2.8899 -1.3733 4 11 0.58 0.58 0.50 0.60 Weak —
587 Z19138088
T04
 0 -19.397 2.9360 -0.7936 6 14 0.74 0.74 0.50 0.60 Reject —
588 Z16383985
T04
 0 -12.202 2.9472 -0.9176 7 14 0.74 0.74 0.50 0.60 Weak —
589 Z44866976
T04
 0 -22.488 2.9506 -0.8095 7 14 0.74 0.74 0.50 0.40 Reject —
590 OHD_MAC_77
T04
 0 -22.971 2.9631 -0.7847 12 11 0.58 0.58 0.67 0.60 Reject —
591 Z30621155
T04
 0 -29.185 3.0297 -0.9913 3 13 0.68 0.68 0.33 0.40 Reject —
592 Z68347496
T04
 0 -24.107 3.0573 -0.8841 4 12 0.63 0.63 0.33 0.40 Reject —
593 Z19278435
T04
 0 -28.484 3.0667 -0.7629 2 16 0.59 0.68 0.33 0.40 Reject —
594 OHD_Leishmania_126
T04
 0 -37.093 3.2083 -1.2093 5 16 0.75 0.79 0.67 0.80 Weak —
595 OHD_TB2022_21
T04
 0 -29.190 3.2838 -0.9429 6 14 0.57 0.63 0.83 0.80 Reject —
596 Z31287542
T04
 0 -28.691 3.3681 -0.8591 2 12 0.55 0.58 0.17 0.20 Reject —
597 OHD_Leishmania_124
T04
 0 -32.722 3.4583 -1.0259 8 14 0.65 0.68 1.00 1.00 Weak —
598 Z31271200
T04
 0 -24.355 3.4657 -0.8991 1 12 0.55 0.58 0.17 0.20 Weak —
599 Z31287534
T04
 0 -26.651 3.4977 -0.6673 1 14 0.74 0.74 0.17 0.20 Reject —
600 Z26504319
T04
 0 -18.605 3.5316 -0.7890 2 13 0.60 0.63 0.17 0.20 Reject —
601 Z44831771
T04
 0 -30.879 3.5396 -0.9425 7 14 0.74 0.74 0.50 0.60 Weak —
602 MK204
T04
 0 -34.166 3.5425 -1.0130 3 12 0.55 0.58 0.17 0.20 Weak —
603 MK205
T04
 0 -26.047 3.6730 -0.8444 3 13 0.60 0.63 0.17 0.20 Weak —
604 OHD_Leishmania_127
T04
 0 -23.634 4.3930 -0.8574 6 15 0.70 0.74 0.67 0.80 Reject —
605 7PXX
T04
 0 - - - 8 19 1.00 1.00 1.00 1.00 Weak —

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