Dataset 1: Smith_ORNL_AutoDock_VINA_simulations

Author: aionics

Last modified:

This dataset provides the simulated VINA scores for binding to the isolated SARS-CoV-2 spike protein (“isolated_s_protein_vina”) and the spike protein:ACE2 interface (“interface_docking_vina”). Each molecule is referenced by a common name that was approximately parsed from the source data; compounds with the same approximate name are differentiated by numeric suffixes. For the source of this data, please see: Smith, Micholas; Smith, Jeremy C. (2020): Repurposing Therapeutics for COVID-19: Supercomputer-Based Docking to the SARS-CoV-2 Viral Spike Protein and Viral Spike Protein-Human ACE2 Interface. ChemRxiv. Preprint. https://doi.org/10.26434/chemrxiv.11871402.v4

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Dataset table

Note: table view is truncated after 1000 rows

chemical isolated_s_protein_vina interface_docking_vina
id
0 None 0.0 0.0
1 cepharanthine -6.6 66.9
2 dihydroergocristine_mesylate_ergoloid -6.3 24.6
3 hypericin -6.9 52.0
4 physalin_b -7.2 9.2
5 physalin_c -7.1 13.5
6 physalin_b_1 -7.0 12.8
7 physalin_b_2 -6.8 15.6
8 withaphysalin -6.7 9.6
9 physalin_c_1 -6.7 3.2
10 physalin_b_3 -6.6 10.1
11 biatractylolide -6.5 15.7
12 biatractylolide_1 -6.5 16.1
13 biatractylolide_2 -6.5 14.9
14 biatractylolide_3 -6.5 18.7
15 physalin_b_4 -6.5 6.6
16 physalin_b_5 -6.5 8.0
17 physalin_b_6 -6.5 20.0
18 cepharanthine_1 -6.5 58.2
19 putranjivadione -6.4 14.6
20 physalin_b_7 -6.4 11.8
21 physalin_b_8 -6.4 10.6
22 physalin_b_9 -6.4 18.9
23 cepharanoline -6.4 65.7
24 cepharanoline_1 -6.4 58.3
25 clerodone -6.3 9.9
26 biatractylolide_4 -6.3 13.0
27 physalin_c_2 -6.3 6.6
28 physalin_b_10 -6.3 10.0
29 physalin_b_11 -6.3 10.0
30 indo_yellow -6.2 20.7
31 dianthrone_glucoside -6.2 26.9
32 biatractylolide_5 -6.2 14.5
33 dexamethasone_trimethyl_acetate -6.2 2.9
34 mosapramine -6.2 2.8
35 withaphysalin_1 -6.2 14.7
36 withaphysalin_2 -6.2 17.4
37 withaphysalin_3 -6.2 4.5
38 carindacillin -6.2 -0.6
39 physalin_c_3 -6.2 10.4
40 physalin_b_12 -6.2 19.1
41 dexamethasone_21_sulfobenzoate -6.2 3.8
42 cepharanoline_2 -6.2 81.6
43 cepharanoline_3 -6.2 82.7
44 berbamine -6.2 70.7
45 tubocurarine_chloride -6.2 60.7
46 adonilide -6.1 -2.3
47 rhoeagenine -6.1 -2.4
48 icajine -6.1 5.9
49 larreagenin -6.1 10.7
50 ergoloid_mesylates -6.1 17.0
51 hypoepistephanine -6.1 63.8
52 rhoeagenine_1 -6.0 -0.9
53 icajine_1 -6.0 4.7
54 putranjivadione_1 -6.0 16.1
55 glycyrrhiza_glabara -6.0 13.7
56 withaphysalin_4 -6.0 7.5
57 withaminimin -6.0 6.4
58 dihydroergocornine -6.0 14.4
59 kaempferol_3_robinobioside -6.0 1.5
60 kaempferol_3_robinobioside_1 -6.0 2.1
61 fangchinoline -6.0 74.2
62 canavalia_gibberellin_i -5.9 -3.5
63 amarolide -5.9 2.6
64 vomicine -5.9 4.8
65 oleanene_derivatives -5.9 10.8
66 molludistin -5.9 5.5
67 putranjivadione_2 -5.9 15.8
68 withaphysalin_5 -5.9 9.7
69 carindacillin_1 -5.9 -1.4
70 nicomorphine -5.9 0.9
71 naucleoside -5.9 5.8
72 somalin -5.9 8.0
73 oxymethyl_anthraquinone -5.9 0.1
74 pseudomorphine -5.9 31.4
75 dihydro_alpha_ergocryptine -5.9 19.2
76 dihydro_alpha_ergocryptine_1 -5.9 16.1
77 7_methoxy_baicalein -5.9 6.1
78 7_methoxy_baicalein_1 -5.9 6.1
79 kaempferol_3_robinobioside_2 -5.9 5.3
80 kaempferol_3_robinobioside_3 -5.9 2.8
81 cissampareine -5.9 77.9
82 fangchinoline_1 -5.9 74.2
83 adonilide_1 -5.8 -2.4
84 strychnin_n_oxide -5.8 3.9
85 comarinic_acid_beta_glucoside -5.8 -6.3
86 icajine_2 -5.8 5.9
87 ergosterol_peroxide -5.8 2.8
88 adipedatol -5.8 7.8
89 putranjivadione_3 -5.8 17.9
90 sitaxentan -5.8 -5.0
91 prednisolone_succinate -5.8 -0.5
92 withaphysalin_6 -5.8 7.0
93 withaphysalin_7 -5.8 3.0
94 withaphysalin_8 -5.8 7.5
95 hydrocortisone_cypionate -5.8 2.5
96 santonic_acid -5.8 1.2
97 isorottlerin -5.8 8.7
98 ciclesonide -5.8 8.5
99 caudoside_sarmutoside -5.8 12.2
100 sinostroside -5.8 11.7
101 pseudomorphine_1 -5.8 42.5
102 pseudomorphine_2 -5.8 37.5
103 pseudomorphine_3 -5.8 35.9
104 pseudomorphine_4 -5.8 41.6
105 dihydro_alpha_ergocryptine_2 -5.8 15.5
106 dihydro_alpha_ergocryptine_3 -5.8 17.4
107 epicriptine -5.8 15.9
108 epicriptine_1 -5.8 15.8
109 trilobamine -5.8 57.6
110 trilobamine_1 -5.8 61.8
111 ergoloid_mesylates_1 -5.8 21.4
112 ergoloid_mesylates_2 -5.8 15.4
113 kaempferol_3_robinobioside_4 -5.8 5.3
114 kaempferol_3_robinobioside_5 -5.8 -0.7
115 bisdequalinium_diacetate -5.8 100.7
116 maytanacine -5.8 62.1
117 stepinonine -5.8 65.8
118 cepharanthine_2 -5.8 83.8
119 cissampareine_1 -5.8 72.2
120 dihydroergocristine_mesylate -5.8 14.7
121 thalfoetidine -5.8 71.0
122 dexmedetomidine_hydrochloride -5.7 0.7
123 cnidiadin -5.7 -5.5
124 methyl_polysilox_methyl_salicyalate -5.7 -5.2
125 triazolam -5.7 -1.8
126 diterpenoids -5.7 -2.1
127 adonilide_2 -5.7 -1.7
128 diaboline -5.7 5.6
129 diaboline_1 -5.7 7.0
130 azardirachta_indica -5.7 -2.9
131 phenatolamine_mesylate_imatibin_mesylate -5.7 -5.8
132 benzylmorphine -5.7 -5.6
133 benzylmorphine_1 -5.7 -5.4
134 cepae_ext -5.7 -4.2
135 nilestriol -5.7 0.6
136 icajine_3 -5.7 3.3
137 icajine_4 -5.7 6.9
138 vomicine_1 -5.7 6.5
139 brotizolam -5.7 -0.4
140 bianthraquinonyl -5.7 4.8
141 tigogenin_sarsasapogenin -5.7 13.1
142 taraxerone -5.7 15.5
143 clerodone_1 -5.7 10.9
144 clerodone_2 -5.7 10.6
145 laxogenin -5.7 30.4
146 exatecan -5.7 4.8
147 pazopanib_hydrochloride -5.7 0.6
148 methacycline_hydrochloride -5.7 2.4
149 putranjivadione_4 -5.7 16.8
150 putranjivadione_5 -5.7 13.9
151 tetracycline_tetracycline_hydrochloride_tetracycline_phosphate_complex -5.7 1.6
152 kaempferol_3_galactoside_daempferol -5.7 -2.9
153 prednisolone_tebutate -5.7 1.5
154 scutellarin -5.7 -0.4
155 hydrocortisone_sodium_succinate -5.7 0.4
156 pimozide -5.7 -2.9
157 biatractylolide_6 -5.7 16.1
158 demeclocycline_hydrochloride -5.7 1.0
159 jujubogenin -5.7 27.1
160 neriproct -5.7 -0.1
161 evodol -5.7 16.5
162 withaphysalin_9 -5.7 16.5
163 withaphysalin_10 -5.7 21.9
164 withaphysalin_11 -5.7 13.1
165 cincholic_acid -5.7 13.5
166 oberadilol -5.7 -2.3
167 cimigenol -5.7 9.9
168 abamagenin -5.7 13.0
169 nilotinib_hydrochloride_monohydrate -5.7 13.1
170 10_deacetylbaccatin -5.7 9.7
171 apiin -5.7 4.1
172 dihydroergocornine_1 -5.7 18.3
173 azilsartan_medoxomil -5.7 1.1
174 pseudomorphine_5 -5.7 39.5
175 pseudomorphine_6 -5.7 19.4
176 pseudomorphine_7 -5.7 40.4
177 ergotamine_tartrate -5.7 11.7
178 trilobamine_2 -5.7 53.1
179 trilobamine_3 -5.7 56.6
180 azelnidipine -5.7 1.6
181 dihydroergotamine_mesylate -5.7 19.2
182 7_methoxy_baicalein_2 -5.7 5.1
183 ergoloid_mesylates_3 -5.7 22.7
184 hypoepistephanine_1 -5.7 60.5
185 maytanacine_1 -5.7 45.0
186 cepharanthine_3 -5.7 85.0
187 fangchinoline_2 -5.7 72.1
188 dihydroergocristine_mesylate_1 -5.7 13.0
189 thalfoetidine_1 -5.7 76.9
190 thalpine -5.7 36.6
191 maytanvaline -5.7 48.7
192 pseudopurpurine_pseudopurpurin -5.6 -4.7
193 diosbulbin -5.6 -4.3
194 diterpenoids_1 -5.6 -0.7
195 diterpenoids_2 -5.6 -0.3
196 adonilide_3 -5.6 -2.5
197 adonilide_4 -5.6 1.1
198 gibberelin_a21_gibberelin_a22 -5.6 -1.1
199 diaboline_2 -5.6 7.4
200 azardirachta_indica_1 -5.6 -2.7
201 ketazolam -5.6 0.3
202 uncarine_f -5.6 4.8
203 uncarine_f_1 -5.6 4.2
204 rhoeagenine_2 -5.6 -1.3
205 rhoeagenine_3 -5.6 -1.1
206 rhoeagenine_4 -5.6 -1.2
207 ailanthone -5.6 1.0
208 ethoxysanguinarine -5.6 6.2
209 icajine_5 -5.6 4.1
210 icajine_6 -5.6 6.9
211 icajine_7 -5.6 6.4
212 icajine_8 -5.6 1.4
213 hydroxyzine_pamoate_imipramine_pamoate -5.6 -1.6
214 stemonine -5.6 1.5
215 solanidine -5.6 7.2
216 irridoid_glycosides_purpureal_glycosides -5.6 -3.6
217 adiantone -5.6 5.6
218 tigogenin_sarsasapogenin_1 -5.6 10.9
219 difenoxin_hydrochloride -5.6 -1.4
220 novacine -5.6 6.7
221 clerodone_3 -5.6 6.9
222 clerodone_4 -5.6 12.3
223 clerodone_5 -5.6 9.4
224 clerodone_6 -5.6 7.9
225 paliperidone -5.6 -0.8
226 ergosterol_peroxide_1 -5.6 2.0
227 adipedatol_1 -5.6 14.3
228 mizolastine -5.6 0.2
229 piritramide -5.6 -2.3
230 phytotoxin -5.6 -2.1
231 putranjivadione_6 -5.6 9.6
232 putranjivadione_7 -5.6 14.8
233 putranjivadione_8 -5.6 17.7
234 putranjivadione_9 -5.6 18.0
235 putranjivadione_10 -5.6 14.3
236 clerodolone -5.6 9.8
237 faradiol -5.6 12.1
238 baicalin -5.6 -1.6
239 acacetin_7_o_routinosides -5.6 -1.0
240 glucobrassicin -5.6 -4.6
241 carfecillin -5.6 -2.2
242 pinicolic_acid -5.6 6.2
243 pentacyclic_triterpene -5.6 11.3
244 gossypitrin_quercimeritrin -5.6 -3.5
245 dicloxacillin_sodium -5.6 0.4
246 betamethasone_phosphate_disodium -5.6 0.4
247 melialactone -5.6 7.9
248 albiflorin -5.6 -3.5
249 albiflorin_1 -5.6 -3.4
250 talampicillin -5.6 -0.3
251 evodol_1 -5.6 12.4
252 withaphysalin_12 -5.6 10.9
253 withaphysalin_13 -5.6 9.0
254 withaphysalin_14 -5.6 11.4
255 cincholic_acid_1 -5.6 15.2
256 cincholic_acid_2 -5.6 11.5
257 tipifarnib -5.6 12.2
258 idarubicin_hydrochloride -5.6 5.0
259 santonic_acid_1 -5.6 -0.8
260 kutkoside -5.6 -4.4
261 kutkoside_1 -5.6 -4.3
262 incobotulinumtoxina -5.6 6.5
263 pseudomorphine_8 -5.6 40.6
264 pseudomorphine_9 -5.6 22.7
265 pseudomorphine_10 -5.6 39.3
266 pseudomorphine_11 -5.6 31.0
267 pseudomorphine_12 -5.6 48.1
268 dihydro_alpha_ergocryptine_4 -5.6 23.5
269 dihydro_alpha_ergocryptine_5 -5.6 16.9
270 ergotamine_tartrate_1 -5.6 20.1
271 trilobamine_4 -5.6 73.0
272 trilobamine_5 -5.6 58.3
273 trilobamine_6 -5.6 57.1
274 7_methoxy_baicalein_3 -5.6 4.9
275 ergoloid_mesylates_4 -5.6 13.2
276 kaempferol_3_robinobioside_6 -5.6 2.3
277 epistephanine -5.6 62.6
278 fangchinoline_3 -5.6 71.8
279 homoaromoline -5.6 76.8
280 hayatinine -5.6 52.0
281 tubocurarine_chloride_1 -5.6 67.7
282 tetrandrine -5.6 71.4
283 d_tetrandrine_iso_sinomenine_iso_tetrandrine -5.6 71.6
284 thalfoetidine_2 -5.6 75.9
285 thalpine_1 -5.6 43.0
286 thalpine_2 -5.6 51.3
287 thalpine_3 -5.6 48.8
288 sulfobromophthaleinglutathione_conjugate -5.6 17.2
289 rutaecarpine -5.5 -4.5
290 oxymorphone_hydrochloride -5.5 -6.1
291 oxymorphone_hydrochloride_1 -5.5 -6.0
292 alpha_dichroine -5.5 -5.1
293 hydromorphinol -5.5 -5.9
294 koumine -5.5 -5.3
295 oxycodone_hydrochloride_oxycodone_terephthalate -5.5 -6.2
296 clividine -5.5 -2.4
297 clividine_1 -5.5 -3.6
298 gliclazide -5.5 -5.7
299 aflatoxins -5.5 -3.4
300 isostrychnine -5.5 -0.4
301 strychnine -5.5 0.4
302 etizolam -5.5 -1.0
303 diosbulbin_1 -5.5 -4.0
304 diosbulbin_2 -5.5 -6.5
305 diosbulbin_3 -5.5 -3.8
306 deoxyelephantopin -5.5 -3.3
307 adonilide_5 -5.5 -1.1
308 daphnoretin -5.5 -4.5
309 diaboline_3 -5.5 3.1
310 diaboline_4 -5.5 4.9
311 diaboline_5 -5.5 -2.0
312 diaboline_6 -5.5 3.5
313 levophenacylmorphan -5.5 -4.4
314 pseudostrychnine -5.5 3.1
315 beta_colubrine -5.5 0.4
316 beta_colubrine_1 -5.5 -0.1
317 uncarine_f_2 -5.5 1.4
318 rhoeagenine_5 -5.5 0.7
319 heroin_diacetylmorphine -5.5 -5.5
320 meprednisone -5.5 0.1
321 cepae_ext_1 -5.5 -3.2
322 lamiol -5.5 -6.1
323 ecabet -5.5 -1.0
324 icajine_9 -5.5 5.2
325 icajine_10 -5.5 5.1
326 icajine_11 -5.5 5.1
327 1_2_naphth_2_ylethyl_4_3_trifluoromethylphenyl_1_2_5_6_tetrahydropyridine -5.5 -4.1
328 rhoeadine -5.5 1.2
329 aloins -5.5 -4.6
330 stemonine_1 -5.5 -1.9
331 stemonine_2 -5.5 0.6
332 irridoid_glycosides_purpureal_glycosides_1 -5.5 -3.0
333 irridoid_glycosides_purpureal_glycosides_2 -5.5 -3.1
334 irridoid_glycosides_purpureal_glycosides_3 -5.5 -2.7
335 irridoid_glycosides_purpureal_glycosides_4 -5.5 -1.9
336 nebivolol_hydrochloride -5.5 -3.9
337 flumetasone -5.5 -0.9
338 risperidone -5.5 -3.6
339 adiantone_1 -5.5 7.6
340 adiantone_2 -5.5 4.9
341 desoxycorticosterone_pivalate -5.5 2.3
342 desoxycorticosterone_pivalate_1 -5.5 1.4
343 molludistin_1 -5.5 3.6
344 6_c_galactopyranosyl_isoscutellarein -5.5 -5.3
345 amyrenone -5.5 13.9
346 novacine_1 -5.5 8.1
347 novacine_2 -5.5 5.6
348 novacine_3 -5.5 4.9
349 decursidin -5.5 -1.6
350 clerodone_7 -5.5 15.1
351 clerodone_8 -5.5 12.3
352 clerodone_9 -5.5 12.2
353 amyrenol_amyrin_beta_amyrenol -5.5 10.5
354 paliperidone_1 -5.5 -1.9
355 ergosterol_peroxide_2 -5.5 2.9
356 ergosterol_peroxide_3 -5.5 1.1
357 ergosterol_peroxide_4 -5.5 1.3
358 ergosterol_peroxide_5 -5.5 1.0
359 adipedatol_2 -5.5 16.9
360 cloxacillin_sodium -5.5 -0.6
361 candesartan -5.5 -1.4
362 hydrocortisone_sodium_phosphate -5.5 0.9
363 troglitazone -5.5 -0.4
364 putranjivadione_11 -5.5 16.0
365 putranjivadione_12 -5.5 16.0
366 doxycycline_doxycycline_calcium_doxycycline_hyclate -5.5 3.5
367 kaempferol_3_galactoside_daempferol_1 -5.5 -2.3
368 kaempferol_3_galactoside_daempferol_2 -5.5 -3.9
369 puddumin_a -5.5 -3.1
370 carpipramine -5.5 -1.0
371 sesamol -5.5 -0.1
372 pentacyclic_triterpene_1 -5.5 12.0
373 pentacyclic_triterpene_2 -5.5 11.4
374 woodwardic_acid -5.5 11.8
375 oxytetracycline_oxytetracycline_calcium_oxytetracycline_hydrochloride -5.5 3.2
376 sophoranochromene -5.5 1.1
377 isoquercetrin_iso_quercitrin -5.5 -2.2
378 jujubogenin_1 -5.5 11.4
379 melialactone_1 -5.5 6.6
380 gedunin -5.5 11.4
381 clocapramine -5.5 -1.4
382 evodol_2 -5.5 21.3
383 evodol_3 -5.5 27.9
384 withaphysalin_15 -5.5 7.3
385 cincholic_acid_3 -5.5 14.5
386 cincholic_acid_4 -5.5 16.7
387 glimepiride -5.5 3.0
388 prudomenin -5.5 2.8
389 6_methylocodine -5.5 2.5
390 lurasidone_hydrochloride -5.5 2.7
391 harpagoside -5.5 -2.5
392 clocortolone_pivalate -5.5 3.1
393 nicomorphine_1 -5.5 0.8
394 amcinonide -5.5 6.1
395 ixabepilone -5.5 31.8
396 telmisartan -5.5 15.6
397 isorottlerin_1 -5.5 12.1
398 ceforanide -5.5 -2.7
399 incobotulinumtoxina_1 -5.5 6.7
400 rolitetracycline -5.5 10.1
401 methyl_amentoflavone -5.5 23.8
402 pseudomorphine_13 -5.5 38.3
403 zafirlukast -5.5 11.1
404 normenisarine -5.5 48.8
405 normenisarine_1 -5.5 52.4
406 dihydro_alpha_ergocryptine_6 -5.5 19.2
407 azelnidipine_1 -5.5 6.4
408 dihydroergotamine_mesylate_1 -5.5 13.0
409 taraxanthin -5.5 21.0
410 policresulen -5.5 4.7
411 7_methoxy_baicalein_4 -5.5 3.0
412 7_methoxy_baicalein_5 -5.5 6.0
413 7_methoxy_baicalein_6 -5.5 5.9
414 7_methoxy_baicalein_7 -5.5 4.6
415 7_methoxy_baicalein_8 -5.5 7.6
416 7_methoxy_baicalein_9 -5.5 6.5
417 7_methoxy_baicalein_10 -5.5 8.2
418 linarin -5.5 9.1
419 ergoloid_mesylates_5 -5.5 12.8
420 kaempferol_3_robinobioside_7 -5.5 1.6
421 kaempferol_3_robinobioside_8 -5.5 5.8
422 cauloside -5.5 23.2
423 berbamine_1 -5.5 57.8
424 dihydroergocristine_mesylate_2 -5.5 21.5
425 tetrandrine_1 -5.5 71.2
426 d_tetrandrine_iso_sinomenine_iso_tetrandrine_1 -5.5 71.1
427 efonidipine -5.5 9.2
428 temoporfin -5.5 123.2
429 rose_bengal_sodium_i_131 -5.5 54.0
430 eslicarbazepine -5.4 -5.3
431 normorphine -5.4 -5.7
432 liriodenine_oxoushinsunine -5.4 -4.5
433 dihydro_artemisinin -5.4 -6.1
434 indoxyl_5_ketogluconate -5.4 -5.8
435 iso_cryptotanshinone -5.4 -1.6
436 dehydroevodiamine -5.4 -0.7
437 eupaformonin -5.4 -3.5
438 catalin -5.4 -3.2
439 praziquantel -5.4 -3.7
440 oxycodone_hydrochloride_oxycodone_terephthalate_1 -5.4 -6.4
441 saxagliptin_saxagliptin_hydrochloride -5.4 -4.1
442 cloperastine_fendizoate -5.4 -4.3
443 o_1_2_3_4_tetrahydro_1_4_methanonaphthalen_6_yl_m_n_dimethylthiocarbanilate -5.4 -4.9
444 dolasetron_mesylate -5.4 -5.4
445 aflatoxins_1 -5.4 -4.6
446 lobeline -5.4 -5.1
447 perivine -5.4 -2.7
448 aristolochic_acid_aristolochic_acid_a_aristolochic_acid_d -5.4 -0.9
449 siccanin -5.4 -2.9
450 diosbulbin_4 -5.4 -6.4
451 diosbulbin_5 -5.4 -3.2
452 diterpenoids_3 -5.4 0.6
453 adonilide_6 -5.4 -0.3
454 adonilide_7 -5.4 -1.1
455 adonilide_8 -5.4 -1.6
456 adonilide_9 -5.4 -1.1
457 canavalia_gibberellin_ii -5.4 -3.1
458 oxysanguinarine -5.4 0.3
459 phenothrine -5.4 -5.0
460 diaboline_7 -5.4 5.8
461 diaboline_8 -5.4 4.3
462 diaboline_9 -5.4 4.3
463 biflorine -5.4 1.2
464 triptonide -5.4 -1.9
465 3_angeloyloxy_4_isovaleroyloxy -5.4 -3.7
466 levophenacylmorphan_1 -5.4 -4.9
467 prenoxdiazine_hcl -5.4 -5.4
468 beta_colubrine_2 -5.4 0.3
469 beta_colubrine_3 -5.4 -0.8
470 beta_colubrine_4 -5.4 0.4
471 metolazone -5.4 -4.1
472 metolazone_1 -5.4 -2.6
473 uncarine_f_3 -5.4 0.6
474 uncarine_f_4 -5.4 -0.8
475 rebamipide -5.4 -6.0
476 rhoeagenine_6 -5.4 0.0
477 rhoeagenine_7 -5.4 -1.1
478 elephantin -5.4 -0.7
479 icajine_12 -5.4 8.0
480 icajine_13 -5.4 7.2
481 icajine_14 -5.4 5.2
482 icajine_15 -5.4 0.7
483 benperidol -5.4 -3.8
484 rhoeadine_1 -5.4 0.1
485 aloins_1 -5.4 -4.7
486 aloins_2 -5.4 -4.3
487 anecortave_acetate -5.4 0.1
488 androst_4_en_3_one_17_4_methyl_1_oxopentyloxy_17beta_ -5.4 0.3
489 stemonine_3 -5.4 4.4
490 betamethasone_betamethasone_dipropionate_betamethasone_sodium_phosphate -5.4 -1.5
491 solanidine_1 -5.4 7.1
492 solanidine_2 -5.4 10.2
493 irridoid_glycosides_purpureal_glycosides_5 -5.4 -3.6
494 irridoid_glycosides_purpureal_glycosides_6 -5.4 -2.9
495 irridoid_glycosides_purpureal_glycosides_7 -5.4 -3.7
496 floctafenine -5.4 -3.1
497 nebivolol_hydrochloride_1 -5.4 -5.2
498 benexate -5.4 -5.9
499 filicene -5.4 10.4
500 filicene_1 -5.4 12.6
501 filicene_2 -5.4 14.3
502 amyltricresol_secondary -5.4 0.0
503 adiantone_3 -5.4 6.6
504 adiantone_4 -5.4 8.8
505 adiantone_5 -5.4 7.1
506 eplerenone -5.4 7.3
507 desoxycorticosterone_pivalate_2 -5.4 1.6
508 desoxycorticosterone_pivalate_3 -5.4 -2.0
509 rupatadine -5.4 -2.8
510 cyclomulberrochromene -5.4 3.9
511 alvimopan -5.4 -4.2
512 filicenal -5.4 6.1
513 filicenal_1 -5.4 11.1
514 novacine_4 -5.4 6.1
515 novacine_5 -5.4 6.1
516 novacine_6 -5.4 1.7
517 novacine_7 -5.4 7.5
518 novacine_8 -5.4 6.1
519 novacine_9 -5.4 0.9
520 novacine_10 -5.4 9.0
521 novacine_11 -5.4 2.9
522 jervine -5.4 17.7
523 clerodone_10 -5.4 10.5
524 fernenol -5.4 4.0
525 ergosterol_peroxide_6 -5.4 1.9
526 ergosterol_peroxide_7 -5.4 3.5
527 ergosterol_peroxide_8 -5.4 0.2
528 adipedatol_3 -5.4 14.8
529 pranazepide -5.4 5.1
530 sebiferic_acid -5.4 3.7
531 troglitazone_1 -5.4 -0.1
532 pivmecillinam -5.4 -3.9
533 kulinone -5.4 2.3
534 eltrombopag_olamine -5.4 -0.7
535 clerodolone_1 -5.4 8.2
536 clerodolone_2 -5.4 10.5
537 clerodolone_3 -5.4 9.5
538 clerodolone_4 -5.4 7.5
539 faradiol_1 -5.4 16.0
540 raltegravir_potassium -5.4 -2.4
541 halometasone -5.4 0.1
542 swertisin -5.4 12.9
543 trifolirhizin -5.4 -3.9
544 glucobrassicin_1 -5.4 -5.4
545 riboflavin_5p_phosphate_sodium -5.4 -2.4
546 acetorphine -5.4 3.5
547 acetorphine_1 -5.4 2.7
548 pentacyclic_triterpene_3 -5.4 14.9
549 pentacyclic_triterpene_4 -5.4 13.9
550 pentacyclic_triterpene_5 -5.4 19.9
551 pentacyclic_triterpene_6 -5.4 17.4
552 pentacyclic_triterpene_7 -5.4 16.4
553 apafant -5.4 -1.6
554 irridoid_glycoside_sambacin_lepitidine_glycoside_glycoside_pharbitin_glycoside_rhaphantin -5.4 0.8
555 azlocillin -5.4 0.7
556 sophoranone -5.4 4.4
557 panaxadiol -5.4 10.1
558 panaxadiol_1 -5.4 14.4
559 tohogenol -5.4 23.1
560 tohogenol_1 -5.4 20.7
561 scoparin -5.4 6.7
562 scoparin_1 -5.4 5.1
563 jujubogenin_2 -5.4 18.1
564 anagalligenone -5.4 12.2
565 neoglucobrassicin -5.4 -4.0
566 albiflorin_2 -5.4 -4.3
567 mosapramine_1 -5.4 0.9
568 gedunin_1 -5.4 9.5
569 gedunin_2 -5.4 9.9
570 melianotriol -5.4 4.7
571 picroside_i -5.4 -1.9
572 santonic_acid_2 -5.4 3.1
573 santonic_acid_3 -5.4 -0.3
574 argatroban -5.4 -2.2
575 kutkoside_2 -5.4 -2.6
576 jasmolactone_b -5.4 -2.4
577 somalin_1 -5.4 8.5
578 matairesinoside -5.4 -5.3
579 aprepitant -5.4 -0.4
580 caudoside_sarmutoside_1 -5.4 9.6
581 olmesartan_medoxomil -5.4 1.1
582 pseudomorphine_14 -5.4 48.2
583 podototarin -5.4 37.0
584 diphosphate_glacturonic_acid -5.4 -4.9
585 dihydro_alpha_ergocryptine_7 -5.4 9.7
586 dihydro_alpha_ergocryptine_8 -5.4 9.6
587 prednisolone_farnesylate -5.4 5.6
588 trilobamine_7 -5.4 59.1
589 7_methoxy_baicalein_11 -5.4 4.9
590 cevadine_veratrine_alkaloids -5.4 15.4
591 ergoloid_mesylates_6 -5.4 13.0
592 ergoloid_mesylates_7 -5.4 18.4
593 ergoloid_mesylates_8 -5.4 13.8
594 ergoloid_mesylates_9 -5.4 10.6
595 lonicerin_veronicastroside -5.4 7.3
596 kaempferol_3_robinobioside_9 -5.4 5.4
597 kaempferol_3_robinobioside_10 -5.4 0.5
598 kaempferol_3_robinobioside_11 -5.4 3.6
599 hypoepistephanine_2 -5.4 55.4
600 sultamicillin -5.4 5.5
601 rubricauloside -5.4 -0.8
602 maytanacine_2 -5.4 55.6
603 maytanacine_3 -5.4 52.2
604 maytanacine_4 -5.4 55.8
605 maytanacine_5 -5.4 67.4
606 stepinonine_1 -5.4 60.9
607 epistephanine_1 -5.4 57.3
608 homoaromoline_1 -5.4 76.2
609 homoaromoline_2 -5.4 57.2
610 hayatinine_1 -5.4 55.9
611 hayatinine_2 -5.4 63.1
612 hayatinine_3 -5.4 55.1
613 hayatinine_4 -5.4 51.7
614 dauricinoline -5.4 11.0
615 dauricinoline_1 -5.4 11.5
616 indinavir_sulfate -5.4 4.8
617 gagaminin -5.4 10.7
618 tetrandrine_2 -5.4 84.0
619 tetrandrine_3 -5.4 81.5
620 d_tetrandrine_iso_sinomenine_iso_tetrandrine_2 -5.4 81.3
621 moxidectin -5.4 84.8
622 cefoperazone -5.4 16.5
623 bromocriptine_mesylate -5.4 16.2
624 natamycin -5.4 86.8
625 thalphinine -5.4 69.9
626 thalphinine_1 -5.4 71.6
627 saquinavir_saquinavir_mesylate -5.4 11.2
628 rifaximin -5.4 134.8
629 eptifibatide -5.4 77.9
630 indirubin -5.3 -6.3
631 munjistin -5.3 -5.0
632 mebendazole -5.3 -5.6
633 sulfaquinoxaline -5.3 -6.5
634 metopon -5.3 -6.0
635 itasetron -5.3 -5.0
636 ellagic_acid -5.3 -3.4
637 alpha_dichroine_1 -5.3 -7.3
638 alpha_dichroine_2 -5.3 -5.3
639 lycoricidinol -5.3 -4.9
640 alprazolam -5.3 -3.6
641 indisetron -5.3 -4.3
642 cyrtomin -5.3 -6.5
643 cnidiadin_1 -5.3 -5.4
644 hydroxyevodiamine -5.3 -2.5
645 methyl_polysilox_methyl_salicyalate_1 -5.3 -5.7
646 condylocarpine -5.3 -2.2
647 gelsemine -5.3 -4.2
648 ergometrine -5.3 -4.3
649 cyclic_adenosine_monophosphate -5.3 -6.0
650 aflatoxins_2 -5.3 -4.3
651 anisatin -5.3 -6.3
652 isostrychnine_1 -5.3 0.2
653 gastrophyllin_a -5.3 -5.7
654 cassythidine -5.3 -2.8
655 naltrexone -5.3 -5.0
656 thebacon -5.3 -3.6
657 darbepoetin_alpha -5.3 -6.4
658 usnic_acid -5.3 -2.4
659 diosbulbin_6 -5.3 -4.3
660 adonilide_10 -5.3 -1.7
661 adonilide_11 -5.3 -1.3
662 muricatin_a -5.3 -0.1
663 nafamostat -5.3 -5.2
664 meloxicam -5.3 -5.8
665 diaboline_10 -5.3 4.5
666 diaboline_11 -5.3 6.3
667 diaboline_12 -5.3 7.2
668 geissoschizine -5.3 -0.2
669 xipamide -5.3 -4.0
670 nalbuphine_hydrochloride -5.3 -6.0
671 canavalia_gibberellin_i_1 -5.3 -1.6
672 tripdioltonide -5.3 -1.2
673 azardirachta_indica_2 -5.3 -1.9
674 azardirachta_indica_3 -5.3 -3.8
675 azardirachta_indica_4 -5.3 -3.7
676 cortisone -5.3 -0.4
677 3_angeloyloxy_4_isovaleroyloxy_1 -5.3 -4.2
678 3_angeloyloxy_4_isovaleroyloxy_2 -5.3 -5.0
679 3_angeloyloxy_4_isovaleroyloxy_3 -5.3 -4.4
680 levophenacylmorphan_2 -5.3 -3.8
681 levophenacylmorphan_3 -5.3 -4.8
682 iso_lineolone -5.3 -1.7
683 quinestrol -5.3 2.4
684 beta_colubrine_5 -5.3 3.0
685 beta_colubrine_6 -5.3 1.4
686 beta_colubrine_7 -5.3 0.4
687 beta_colubrine_8 -5.3 -0.8
688 beta_colubrine_9 -5.3 0.6
689 drospirenone -5.3 3.0
690 corynoline -5.3 -1.6
691 corycavine -5.3 -0.3
692 mitraphylline -5.3 0.7
693 uncarine_f_5 -5.3 0.8
694 fraxin -5.3 -5.4
695 rhoeagenine_8 -5.3 1.4
696 rhoeagenine_9 -5.3 0.8
697 rhoeagenine_10 -5.3 1.2
698 rhoeagenine_11 -5.3 -0.9
699 rhoeagenine_12 -5.3 -1.7
700 camazepam -5.3 -5.3
701 lamiol_1 -5.3 -5.1
702 droperidol -5.3 -3.9
703 1_2_naphth_2_ylethyl_4_3_trifluoromethylphenyl_1_2_5_6_tetrahydropyridine_1 -5.3 -4.3
704 azelastine_hydrochloride -5.3 -2.5
705 artesunate -5.3 -5.7
706 aloins_3 -5.3 -4.9
707 cetirizine_hydrochloride -5.3 -4.7
708 tadalafil -5.3 4.2
709 cyclothiazide -5.3 -5.7
710 mesuagin -5.3 5.6
711 stemonine_4 -5.3 -0.4
712 stemonine_5 -5.3 -0.8
713 stemonine_6 -5.3 4.8
714 permethrin -5.3 -5.3
715 reglitazar -5.3 -5.1
716 trospium_chloride -5.3 -2.5
717 alilusem -5.3 -0.1
718 triamcinolone_triamcinolone_diacetate -5.3 -2.7
719 irridoid_glycosides_purpureal_glycosides_8 -5.3 -3.3
720 oxacillin_sodium -5.3 -1.2
721 mammeigin -5.3 5.9
722 hydrocortisone_acetate -5.3 -0.1
723 nicocodeine -5.3 -5.3
724 nicocodeine_1 -5.3 -5.9
725 nebivolol_hydrochloride_2 -5.3 -5.2
726 nebivolol_hydrochloride_3 -5.3 -4.7
727 nodakenin -5.3 -3.5
728 filicene_3 -5.3 12.1
729 filicene_4 -5.3 12.9
730 filicene_5 -5.3 5.6
731 amyltricresol_secondary_1 -5.3 -0.1
732 adiantone_6 -5.3 5.1
733 ziprasidone_hydrochloride_ziprasidone_mesylate -5.3 -3.2
734 desoxycorticosterone_pivalate_4 -5.3 -1.6
735 desoxycorticosterone_pivalate_5 -5.3 -1.4
736 tigogenin_sarsasapogenin_2 -5.3 11.2
737 tigogenin_sarsasapogenin_3 -5.3 16.1
738 spirostanol_saponins -5.3 17.0
739 isoflupredone_acetate -5.3 -0.7
740 iso_mangiferin -5.3 1.3
741 arborinone -5.3 4.2
742 novacine_12 -5.3 8.0
743 novacine_13 -5.3 7.4
744 novacine_14 -5.3 4.7
745 novacine_15 -5.3 7.6
746 clerodone_11 -5.3 18.9
747 clerodone_12 -5.3 14.6
748 domperidone -5.3 -2.9
749 ergosterol_peroxide_9 -5.3 1.6
750 ergosterol_peroxide_10 -5.3 0.1
751 ergosterol_peroxide_11 -5.3 1.0
752 adipedatol_4 -5.3 14.4
753 adipedatol_5 -5.3 10.2
754 adipedatol_6 -5.3 10.4
755 adipedatol_7 -5.3 14.5
756 adipedatol_8 -5.3 14.0
757 adipedatol_9 -5.3 11.1
758 afzelin_kaempferin -5.3 -3.7
759 apigenin_7_glucoside_cosmosiin -5.3 -3.7
760 genistin -5.3 -3.2
761 genistin_1 -5.3 -1.4
762 genistin_2 -5.3 -1.7
763 phytotoxin_1 -5.3 -2.8
764 putranjivadione_13 -5.3 15.5
765 clerodolone_5 -5.3 11.1
766 clerodolone_6 -5.3 9.5
767 clerodolone_7 -5.3 7.7
768 clerodolone_8 -5.3 11.6
769 erythrodiol_monocaprylate -5.3 8.1
770 sophoradiol -5.3 8.7
771 sophoradiol_1 -5.3 12.2
772 alpha_onocerin -5.3 5.0
773 dammarenediol_ii -5.3 6.9
774 dammarenediol_ii_1 -5.3 3.4
775 swertisin_1 -5.3 7.3
776 luteolin_7_beta_d_glucoside_luteolin_7_beta_d_glucopyranoside -5.3 -3.8
777 gimatecan -5.3 7.1
778 pamicogrel -5.3 4.6
779 astilbin -5.3 -4.5
780 carfecillin_1 -5.3 -2.7
781 pinicolic_acid_1 -5.3 5.2
782 ifflaionic_acid -5.3 11.9
783 pentacyclic_triterpene_8 -5.3 10.3
784 pentacyclic_triterpene_9 -5.3 19.3
785 pentacyclic_triterpene_10 -5.3 12.9
786 woodwardic_acid_1 -5.3 11.6
787 raltitrexed -5.3 -3.5
788 irridoid_glycoside_sambacin_lepitidine_glycoside_glycoside_pharbitin_glycoside_rhaphantin_1 -5.3 4.1
789 panaxadiol_2 -5.3 11.6
790 panaxadiol_3 -5.3 15.1
791 tohogenol_2 -5.3 17.4
792 tohogenol_3 -5.3 12.0
793 heparin_calcium -5.3 -6.9
794 scoparin_2 -5.3 5.6
795 homoplantaginin -5.3 -1.1
796 deoxytubulosine -5.3 4.7
797 biatractylolide_7 -5.3 16.0
798 isoquercetrin_iso_quercitrin_1 -5.3 -3.5
799 isoquercetrin_iso_quercitrin_2 -5.3 -1.2
800 benzylpenicilloyl_polylysine -5.3 -3.9
801 sorafenib_tosylate -5.3 5.7
802 agnuside -5.3 -5.9
803 glycyrrhiza_glabara_1 -5.3 14.2
804 glycyrrhiza_glabara_2 -5.3 11.7
805 withaferin_a -5.3 3.9
806 jujubogenin_3 -5.3 20.0
807 jujubogenin_4 -5.3 32.1
808 methylprednisolone_sodium_succinate -5.3 -0.2
809 melialactone_2 -5.3 10.1
810 monatepil_maleate -5.3 5.9
811 neriproct_1 -5.3 -0.3
812 albiflorin_3 -5.3 -2.5
813 albiflorin_4 -5.3 -4.3
814 inokosterone -5.3 0.6
815 talampicillin_1 -5.3 0.0
816 prudomenin_1 -5.3 3.4
817 imatinib_mesylate -5.3 16.1
818 benidipine_hcl -5.3 1.6
819 kutkoside_3 -5.3 -5.0
820 abamagenin_1 -5.3 13.2
821 alisol_a_alisol_b_alisol_monoacetate -5.3 7.0
822 piperacillin_sodium -5.3 6.2
823 mezlocillin -5.3 6.6
824 sinostroside_1 -5.3 13.5
825 convallatoxol -5.3 11.0
826 osthenol_7_o_beta_gentiobioside -5.3 -0.6
827 iso_cucurbitacin_b -5.3 9.7
828 iso_cucurbitacin_b_1 -5.3 11.0
829 nelfinavir_mesylate -5.3 3.5
830 asclepiadin_asclepin -5.3 42.9
831 asclepiadin_asclepin_1 -5.3 26.3
832 dihydro_alpha_ergocryptine_9 -5.3 18.1
833 dihydro_alpha_ergocryptine_10 -5.3 14.6
834 irinotecan_hydrochloride -5.3 30.6
835 cilengitide -5.3 22.0
836 7_methoxy_baicalein_12 -5.3 9.9
837 ergoloid_mesylates_10 -5.3 24.3
838 kaempferol_3_robinobioside_12 -5.3 3.0
839 kaempferol_3_robinobioside_13 -5.3 4.4
840 kaempferol_3_robinobioside_14 -5.3 4.9
841 dibenzoylgagaimol -5.3 10.5
842 maytanacine_6 -5.3 59.0
843 hesperidin -5.3 9.8
844 oxycanthine -5.3 75.9
845 oxycanthine_1 -5.3 56.0
846 homoaromoline_3 -5.3 70.1
847 hayatinine_5 -5.3 58.6
848 hayatidine -5.3 49.8
849 lercanidipine -5.3 4.1
850 dihydroergocristine_mesylate_3 -5.3 20.3
851 dihydroergocristine_mesylate_4 -5.3 18.5
852 dauricinoline_2 -5.3 13.3
853 gagaminin_1 -5.3 8.9
854 rubicoumaric_acid -5.3 15.1
855 tetrandrine_4 -5.3 74.3
856 d_tetrandrine_iso_sinomenine_iso_tetrandrine_3 -5.3 79.9
857 dauricine -5.3 9.9
858 orientoside -5.3 29.2
859 corilagin -5.3 20.4
860 thalfoetidine_3 -5.3 87.2
861 thalfoetidine_4 -5.3 69.4
862 bromocriptine_mesylate_1 -5.3 19.1
863 teniposide -5.3 19.5
864 thalphinine_2 -5.3 56.3
865 valrubicin -5.3 12.5
866 valrubicin_1 -5.3 16.1
867 maytanvaline_1 -5.3 48.0
868 gitaloxin -5.3 44.8
869 leucoanthocyanidin -5.2 -5.6
870 micheliolide -5.2 -5.1
871 benzoxiquine -5.2 -5.9
872 oxcarbazepine -5.2 -5.3
873 purpurin -5.2 -5.1
874 hydrangenol -5.2 -6.8
875 thalidomide -5.2 -5.7
876 nevirapine_nevirapine -5.2 -4.6
877 mirtazapine -5.2 -3.8
878 helminthosporin -5.2 -4.8
879 normorphine_1 -5.2 -6.6
880 normorphine_2 -5.2 -6.4
881 normorphine_3 -5.2 -6.5
882 sulfabenzamide -5.2 -6.3
883 tanshinone -5.2 -3.8
884 hydromorphone_hydrochloride -5.2 -6.0
885 hydromorphone_hydrochloride_1 -5.2 -6.3
886 dihydromorphine -5.2 -6.0
887 dihydromorphine_1 -5.2 -6.1
888 lobenzarit -5.2 -4.9
889 lycoricidine -5.2 -5.4
890 kanjone -5.2 -4.7
891 ushinsunine -5.2 -1.5
892 amlexanox -5.2 -4.9
893 metopon_1 -5.2 -5.2
894 hydrocodone_bitartrate_hydrocodone_polistirex -5.2 -6.2
895 hydrocodone_bitartrate_hydrocodone_polistirex_1 -5.2 -6.4
896 morphine_n_oxide -5.2 -6.0
897 alpha_dichroine_3 -5.2 -5.3
898 alpha_dichroine_4 -5.2 -6.1
899 alpha_dichroine_5 -5.2 -7.0
900 dihydrocodeine_bitartrate -5.2 -6.2
901 dihydrocodeine_bitartrate_1 -5.2 -6.3
902 evodiamine -5.2 -1.5
903 glyclopyramide -5.2 -6.5
904 hydromorphinol_1 -5.2 -6.6
905 sarolactone -5.2 -4.4
906 gestodene -5.2 -1.7
907 aflatoxin_b -5.2 -4.4
908 flunitrazepam -5.2 -3.6
909 myricetin_myricetin_galactoside_5_methyl_myricetin_myricetol -5.2 -7.7
910 byak_angelicol_c_3_epi_wilsonine -5.2 -4.8
911 byak_angelicol_c_3_epi_wilsonine_1 -5.2 -4.9
912 clividine_2 -5.2 -4.9
913 clividine_3 -5.2 -4.3
914 clividine_4 -5.2 -2.4
915 clividine_5 -5.2 -2.5
916 clividine_6 -5.2 -5.0
917 clividine_7 -5.2 -4.6
918 hydroxyevodiamine_1 -5.2 -4.0
919 phenazocine -5.2 -5.6
920 gliclazide_1 -5.2 -6.2
921 stylopine_tetrahydrocoptisine -5.2 -1.0
922 etonogestrel -5.2 -1.0
923 midazolam_hydrochloride -5.2 -3.3
924 naloxone_naloxone_hydrochloride -5.2 -5.7
925 naloxone_naloxone_hydrochloride_1 -5.2 -5.5
926 trilostane -5.2 -2.6
927 conamine -5.2 0.7
928 hydroflumethiazide -5.2 -5.2
929 piroxicam -5.2 -6.0
930 fluorescein_sodium -5.2 -2.9
931 isostrychnine_2 -5.2 0.0
932 isostrychnine_3 -5.2 2.2
933 nandazurine -5.2 1.3
934 tenoxicam -5.2 -6.3
935 danazol -5.2 1.4
936 methylergonovine_maleate -5.2 -4.8
937 naltrexone_1 -5.2 -5.5
938 siccanin_1 -5.2 -0.5
939 usnic_acid_1 -5.2 -4.0
940 diosbulbin_7 -5.2 -3.7
941 diosbulbin_8 -5.2 -5.6
942 adonilide_12 -5.2 -2.7
943 isoconessimine -5.2 1.1
944 canavalia_gibberellin_ii_1 -5.2 -2.9
945 torsemide -5.2 -5.6
946 camptothecin -5.2 -2.3
947 phenomorphan -5.2 -4.6
948 tamibarotene -5.2 0.7
949 diaboline_13 -5.2 5.9
950 diaboline_14 -5.2 3.5
951 diaboline_15 -5.2 6.4
952 geissoschizine_1 -5.2 -1.3
953 euphorbetin -5.2 -2.8
954 chelidonine -5.2 -1.9
955 yohimbine -5.2 -1.3
956 canavalia_gibberellin_i_2 -5.2 -2.6
957 canavalia_gibberellin_i_3 -5.2 -2.2
958 azardirachta_indica_5 -5.2 -3.5
959 azardirachta_indica_6 -5.2 -2.6
960 ethyl_loflazepate -5.2 -3.4
961 ethyl_loflazepate_1 -5.2 -2.8
962 3_angeloyloxy_4_isovaleroyloxy_4 -5.2 -1.4
963 chelirubine -5.2 2.6
964 levophenacylmorphan_4 -5.2 -6.6
965 levophenacylmorphan_5 -5.2 -4.7
966 oxychelerythrine -5.2 3.5
967 mexazolam -5.2 -1.8
968 tissue_plasminogen_activator -5.2 2.3
969 iso_lineolone_1 -5.2 -1.5
970 beta_colubrine_10 -5.2 1.2
971 beta_colubrine_11 -5.2 0.8
972 beta_colubrine_12 -5.2 1.3
973 beta_colubrine_13 -5.2 0.0
974 indapamide -5.2 -4.0
975 indapamide_1 -5.2 -3.8
976 nitroacronycine -5.2 -1.0
977 utendin -5.2 -2.5
978 uncarine_f_6 -5.2 1.6
979 uncarine_f_7 -5.2 3.3
980 uncarine_f_8 -5.2 2.9
981 uncarine_f_9 -5.2 1.5
982 uncarine_f_10 -5.2 -0.2
983 uncarine_f_11 -5.2 4.7
984 rebamipide_1 -5.2 -6.2
985 sesamolin -5.2 -5.1
986 rhoeagenine_13 -5.2 0.4
987 isradipine -5.2 -2.6
988 isradipine_1 -5.2 -3.3
989 desoxycorticosterone_acetate -5.2 0.6
990 swertiamarin -5.2 -6.4
991 riboflavin -5.2 -3.3
992 tripdiolide -5.2 -0.8
993 oestradiol_benzoate -5.2 -2.0
994 ethoxysanguinarine_1 -5.2 2.3
995 lamiol_2 -5.2 -6.9
996 bocconoline -5.2 3.4
997 droperidol_1 -5.2 -3.4
998 o_tolylazo_o_tolylazo_beta_naphthol -5.2 -3.3
999 equipertine -5.2 -3.3