inchikey stringlengths 27 27 | target_uniprot stringclasses 1
value | consensus_p_activity float64 1.6 17.3 | consensus_value_nm float64 0 25M | n_records_used int64 1 281 | n_sources int64 1 5 | spread_log float64 0 8.54 ⌀ | p_min float64 1.08 17.3 | p_max float64 1.6 17.3 | p_std float64 0 3 | agreement stringclasses 4
values |
|---|---|---|---|---|---|---|---|---|---|---|
AQMBFLJHJRTAJF-UHFFFAOYSA-N | P00533 | 7.72406 | 18.877288 | 2 | 1 | 0.587337 | 7.430392 | 8.017729 | 0.293668 | moderate |
AQMRDIZFWYYMBQ-UHFFFAOYSA-N | P00533 | 9.040005 | 0.912 | 1 | 1 | null | 9.040005 | 9.040005 | 0 | single |
AQOBZRDHNGYBNF-UHFFFAOYSA-N | P00533 | 7.245399 | 56.833089 | 4 | 1 | 2.367977 | 5.853872 | 8.221849 | 0.858239 | weak |
AQOVRLPHUSWQJQ-UHFFFAOYSA-N | P00533 | 5.068542 | 8,540 | 1 | 1 | null | 5.068542 | 5.068542 | 0 | single |
AQPNNVXYZUBJMK-UHFFFAOYSA-N | P00533 | 7.958607 | 11 | 3 | 1 | 1.877685 | 7.080922 | 8.958607 | 0.767104 | weak |
AQQISNSVVNBGLR-BTMGADRYSA-N | P00533 | 8.09691 | 8 | 1 | 1 | null | 8.09691 | 8.09691 | 0 | single |
AQQISNSVVNBGLR-UHSQPCAPSA-N | P00533 | 6.5157 | 305 | 1 | 1 | null | 6.5157 | 6.5157 | 0 | single |
AQQWWOMMPDCTLW-UHFFFAOYSA-N | P00533 | 5.700001 | 1,995.26 | 1 | 1 | null | 5.700001 | 5.700001 | 0 | single |
AQVFAJITBRMHAU-UHFFFAOYSA-N | P00533 | 7.259637 | 55 | 6 | 1 | 1 | 6.259637 | 7.259637 | 0.471405 | weak |
AQWJLXJKEKRTQM-CVKSISIWSA-N | P00533 | 8.53566 | 2.913 | 1 | 1 | null | 8.53566 | 8.53566 | 0 | single |
AQXIMVWUURMKKC-UHFFFAOYSA-N | P00533 | 5.236797 | 5,797 | 1 | 1 | null | 5.236797 | 5.236797 | 0 | single |
AQXXXWZJCCNLLD-UHFFFAOYSA-N | P00533 | 9.508638 | 0.31 | 1 | 1 | null | 9.508638 | 9.508638 | 0 | single |
ARBAWWWLJGQCDZ-UHFFFAOYSA-N | P00533 | 9.863523 | 0.136923 | 2 | 1 | 0.403958 | 9.661544 | 10.065502 | 0.201979 | strong |
ARBSTGKTOSHPOE-UHFFFAOYSA-N | P00533 | 7.744727 | 18 | 2 | 1 | 0 | 7.744727 | 7.744727 | 0 | strong |
ARDBPUNEHXLCSW-UHFFFAOYSA-N | P00533 | 5.879426 | 1,320 | 1 | 1 | null | 5.879426 | 5.879426 | 0 | single |
ARFRDHRNFVIREW-HSRJRILOSA-N | P00533 | 8.653647 | 2.22 | 1 | 1 | null | 8.653647 | 8.653647 | 0 | single |
ARFRDHRNFVIREW-NBILRRPASA-N | P00533 | 8.653647 | 2.22 | 1 | 1 | null | 8.653647 | 8.653647 | 0 | single |
ARGHVEBVLOSWSZ-UHFFFAOYSA-N | P00533 | 5.688246 | 2,050 | 1 | 1 | null | 5.688246 | 5.688246 | 0 | single |
ARGNVJPDKVQMDV-UHFFFAOYSA-N | P00533 | 7.251812 | 56 | 1 | 1 | null | 7.251812 | 7.251812 | 0 | single |
ARHVERBRASNVPZ-UHFFFAOYSA-N | P00533 | 5.578396 | 2,640 | 1 | 1 | null | 5.578396 | 5.578396 | 0 | single |
ARIUNSYARKSUAQ-UHFFFAOYSA-N | P00533 | 6.376751 | 420 | 3 | 1 | 0 | 6.376751 | 6.376751 | 0 | strong |
ARNGXJKGLLKREM-VWLOTQADSA-N | P00533 | 8.522879 | 3 | 1 | 1 | null | 8.522879 | 8.522879 | 0 | single |
ARNUOBFNWJKPHJ-UHFFFAOYSA-N | P00533 | 6.69897 | 200 | 1 | 1 | null | 6.69897 | 6.69897 | 0 | single |
ARPBYMHOJGFOME-UHFFFAOYSA-N | P00533 | 6.943095 | 114 | 1 | 1 | null | 6.943095 | 6.943095 | 0 | single |
ARSGAAANDMOADX-UHFFFAOYSA-N | P00533 | 6.69897 | 200 | 5 | 1 | 1.560667 | 6.69897 | 8.259637 | 0.764568 | weak |
ARSLABFLEJRETK-UHFFFAOYSA-N | P00533 | 7.184075 | 65.452273 | 6 | 1 | 1.937852 | 5.886057 | 7.823909 | 0.789084 | weak |
ARTBQSCQTXOYLM-HKBQPEDESA-N | P00533 | 8.522879 | 3 | 1 | 1 | null | 8.522879 | 8.522879 | 0 | single |
ARTXCXRRTXRAOJ-UHFFFAOYSA-N | P00533 | 6.920819 | 120 | 1 | 1 | null | 6.920819 | 6.920819 | 0 | single |
ARVMOJFLOXVOMG-UHFFFAOYSA-N | P00533 | 6.323909 | 474.341649 | 2 | 1 | 0.39794 | 6.124939 | 6.522879 | 0.19897 | strong |
ARVUSMHRGNDTRY-QFIPXVFZSA-N | P00533 | 8.777284 | 1.67 | 1 | 1 | null | 8.777284 | 8.777284 | 0 | single |
ARWJHMPQGVRJGR-UHFFFAOYSA-N | P00533 | 7.69897 | 20 | 3 | 1 | 0 | 7.69897 | 7.69897 | 0 | strong |
ARXFXYZAYWAJKH-UHFFFAOYSA-N | P00533 | 5.763622 | 1,723.368794 | 2 | 1 | 0.389971 | 5.568636 | 5.958607 | 0.194986 | strong |
ASAVPQOOHXZTPY-UHFFFAOYSA-N | P00533 | 4.756962 | 17,500 | 1 | 1 | null | 4.756962 | 4.756962 | 0 | single |
ASCVQXWPIHGQIB-RUZDIDTESA-N | P00533 | 8.39794 | 4 | 2 | 1 | 0.60206 | 8.09691 | 8.69897 | 0.30103 | moderate |
ASEKFENKLHTYMI-UHFFFAOYSA-N | P00533 | 7.39794 | 40 | 2 | 1 | 1.39794 | 6.69897 | 8.09691 | 0.69897 | weak |
ASEMLWDIYZJALH-DTXPUJKBSA-N | P00533 | 9.69897 | 0.2 | 3 | 1 | 0.638783 | 9.130768 | 9.769551 | 0.285945 | moderate |
ASGIZNPFTVRSID-UHFFFAOYSA-N | P00533 | 3.607303 | 247,000 | 3 | 1 | 1.882503 | 1.987163 | 3.869666 | 0.8325 | weak |
ASHKAXPHUUQQTC-UHFFFAOYSA-N | P00533 | 5.251812 | 5,600 | 1 | 1 | null | 5.251812 | 5.251812 | 0 | single |
ASHLBSIWNNFRBC-UHFFFAOYSA-N | P00533 | 6.623423 | 238 | 1 | 1 | null | 6.623423 | 6.623423 | 0 | single |
ASJKJRLGRZGMDR-GQCTYLIASA-N | P00533 | 9.117762 | 0.762496 | 2 | 2 | 0.002848 | 9.116339 | 9.119186 | 0.001424 | strong |
ASLAQNLSYGJKNM-UHFFFAOYSA-N | P00533 | 7.026872 | 94 | 1 | 1 | null | 7.026872 | 7.026872 | 0 | single |
ASOPRZPYNIPJKT-UHFFFAOYSA-N | P00533 | 5.112946 | 7,710 | 1 | 1 | null | 5.112946 | 5.112946 | 0 | single |
ASRPLHQXFWEEDQ-UHFFFAOYSA-N | P00533 | 7.522879 | 30 | 1 | 1 | null | 7.522879 | 7.522879 | 0 | single |
ASTOVQOHEONVAD-NEEKEDPPSA-N | P00533 | 8.39794 | 4 | 1 | 1 | null | 8.39794 | 8.39794 | 0 | single |
ASWDOIVFAHYTSP-JMIUGGIZSA-N | P00533 | 6.595611 | 253.74 | 1 | 1 | null | 6.595611 | 6.595611 | 0 | single |
ASXBFKMZPZRWDW-RMKNXTFCSA-N | P00533 | 7.43006 | 37.148351 | 2 | 1 | 0.416423 | 7.221849 | 7.638272 | 0.208212 | strong |
ASXISRXJLHLKLD-ONEGZZNKSA-N | P00533 | 6.560667 | 275 | 1 | 1 | null | 6.560667 | 6.560667 | 0 | single |
ATDJLDZCOSGBPH-UHFFFAOYSA-N | P00533 | 4.565431 | 27,200 | 1 | 1 | null | 4.565431 | 4.565431 | 0 | single |
ATEFPOUAMCWAQS-UHFFFAOYSA-N | P00533 | 5.115205 | 7,670 | 2 | 1 | 0 | 5.115205 | 5.115205 | 0 | strong |
ATEKSUDRIVWTTK-UHFFFAOYSA-N | P00533 | 8.920819 | 1.2 | 3 | 1 | 1.586996 | 7.769551 | 9.356547 | 0.66948 | weak |
ATEOIYJMIPIXFL-UHFFFAOYSA-N | P00533 | 7.856552 | 13.913878 | 2 | 1 | 1.356131 | 7.178486 | 8.534617 | 0.678065 | weak |
ATEQNOXHLBHSBB-UHFFFAOYSA-N | P00533 | 8.39794 | 4 | 1 | 1 | null | 8.39794 | 8.39794 | 0 | single |
ATFMIAUVGADIRH-UHFFFAOYSA-N | P00533 | 6.959754 | 109.71 | 1 | 1 | null | 6.959754 | 6.959754 | 0 | single |
ATFSDVWBDUXCBW-UHFFFAOYSA-N | P00533 | 7.60033 | 25.099801 | 4 | 1 | 0.706149 | 7.21467 | 7.920819 | 0.307795 | moderate |
ATHZZWBANOJUOA-UHFFFAOYSA-N | P00533 | 7.807197 | 15.588457 | 4 | 1 | 2.851937 | 6.19382 | 9.045757 | 1.026611 | weak |
ATIKKYRDCUPFAU-UHFFFAOYSA-N | P00533 | 8.835647 | 1.46 | 1 | 1 | null | 8.835647 | 8.835647 | 0 | single |
ATIRNCPNUAGBGH-UHFFFAOYSA-N | P00533 | 5.987163 | 1,030 | 1 | 1 | null | 5.987163 | 5.987163 | 0 | single |
ATKPRIDFHGQMAQ-UHFFFAOYSA-N | P00533 | 5.497573 | 3,180 | 1 | 1 | null | 5.497573 | 5.497573 | 0 | single |
ATMDLMMFXOYJEA-VOTSOKGWSA-N | P00533 | 4.856049 | 13,930 | 1 | 1 | null | 4.856049 | 4.856049 | 0 | single |
ATMFHXVIDXPYGK-UHFFFAOYSA-N | P00533 | 5.21467 | 6,100 | 1 | 1 | null | 5.21467 | 5.21467 | 0 | single |
ATRMGRIXDIZXRO-UHFFFAOYSA-N | P00533 | 6.824489 | 149.799866 | 2 | 1 | 0.711935 | 6.468521 | 7.180456 | 0.355967 | moderate |
ATRMIGVAAPIRJO-UHFFFAOYSA-N | P00533 | 4.879426 | 13,200 | 1 | 1 | null | 4.879426 | 4.879426 | 0 | single |
ATRQYYQRKRQPJP-UHFFFAOYSA-N | P00533 | 8.09691 | 8 | 1 | 1 | null | 8.09691 | 8.09691 | 0 | single |
ATRXGHXMJALJBM-LBXQIWFXSA-N | P00533 | 8.30103 | 5 | 1 | 1 | null | 8.30103 | 8.30103 | 0 | single |
ATSKCEZXZQLMAV-UHFFFAOYSA-N | P00533 | 4.420216 | 38,000 | 1 | 1 | null | 4.420216 | 4.420216 | 0 | single |
ATTGQOMUGKVOSB-SNAWJCMRSA-N | P00533 | 8.920819 | 1.2 | 1 | 1 | null | 8.920819 | 8.920819 | 0 | single |
ATUGWBRHDFGSKE-UHFFFAOYSA-N | P00533 | 5.234331 | 5,830 | 1 | 1 | null | 5.234331 | 5.234331 | 0 | single |
ATUIHXRIJCYLPA-LUOAPIJWSA-N | P00533 | 6.046724 | 898 | 1 | 1 | null | 6.046724 | 6.046724 | 0 | single |
ATULKYAWEUGYSF-UHFFFAOYSA-N | P00533 | 7.769551 | 17 | 1 | 1 | null | 7.769551 | 7.769551 | 0 | single |
ATUXFPJRTSKHFB-UHFFFAOYSA-N | P00533 | 9.038897 | 0.91433 | 4 | 1 | 0.762639 | 8.657577 | 9.420216 | 0.38132 | moderate |
AUAMVGQDEAESMO-UHFFFAOYSA-N | P00533 | 7.065502 | 86 | 1 | 1 | null | 7.065502 | 7.065502 | 0 | single |
AUDDREUYBAHNSP-UHFFFAOYSA-N | P00533 | 8.60521 | 2.481935 | 2 | 1 | 0.706795 | 8.251812 | 8.958607 | 0.353398 | moderate |
AUELADDMBCSFOL-UHFFFAOYSA-N | P00533 | 6.886057 | 130 | 1 | 1 | null | 6.886057 | 6.886057 | 0 | single |
AUEXRFUPXQANDV-SANMLTNESA-N | P00533 | 8.30103 | 5 | 1 | 1 | null | 8.30103 | 8.30103 | 0 | single |
AUFGYBGCZSKDIE-CQSZACIVSA-N | P00533 | 8.154902 | 7 | 1 | 1 | null | 8.154902 | 8.154902 | 0 | single |
AUFNWHLGERWYHJ-UHFFFAOYSA-N | P00533 | 6.56481 | 272.389427 | 2 | 1 | 0.15071 | 6.489455 | 6.640165 | 0.075355 | strong |
AUHSSWFYYYDTKY-UHFFFAOYSA-N | P00533 | 7.0231 | 94.82 | 1 | 1 | null | 7.0231 | 7.0231 | 0 | single |
AULCRCVNIWNUTH-UHFFFAOYSA-N | P00533 | 6.015923 | 964 | 1 | 1 | null | 6.015923 | 6.015923 | 0 | single |
AULGRNJUYZKCGS-SANMLTNESA-N | P00533 | 7.823909 | 15 | 1 | 1 | null | 7.823909 | 7.823909 | 0 | single |
AUMBQDJVOLYTCC-QPJJXVBHSA-N | P00533 | 7.780334 | 16.583124 | 2 | 1 | 0.356547 | 7.60206 | 7.958607 | 0.178274 | strong |
AUPQYGXJGKNTSL-UHFFFAOYSA-N | P00533 | 8.60206 | 2.5 | 1 | 1 | null | 8.60206 | 8.60206 | 0 | single |
AUPWMAPFFMLMKF-HKBQPEDESA-N | P00533 | 8.221849 | 6 | 1 | 1 | null | 8.221849 | 8.221849 | 0 | single |
AUQWYJACINWNEL-UHFFFAOYSA-N | P00533 | 6.504925 | 312.661606 | 2 | 1 | 0.838326 | 6.085763 | 6.924088 | 0.419163 | moderate |
AURNDRDGFOEYTM-UHFFFAOYSA-N | P00533 | 7.657577 | 22 | 1 | 1 | null | 7.657577 | 7.657577 | 0 | single |
AURYYBJWNGTKQC-UHFFFAOYSA-N | P00533 | 4.69897 | 20,000 | 1 | 1 | null | 4.69897 | 4.69897 | 0 | single |
AURZPIANIDXZEM-UHFFFAOYSA-N | P00533 | 6.257637 | 552.539591 | 6 | 1 | 2.106165 | 6.080922 | 8.187087 | 0.735989 | weak |
AUUDLJVRYOAHGV-UHFFFAOYSA-N | P00533 | 4.593971 | 25,470 | 1 | 1 | null | 4.593971 | 4.593971 | 0 | single |
AUUWQQUVNXOOMD-UHFFFAOYSA-N | P00533 | 10.409364 | 0.038962 | 2 | 1 | 0.496426 | 10.161151 | 10.657577 | 0.248213 | strong |
AUWBIBQQHHAHMY-UHFFFAOYSA-N | P00533 | 6.323909 | 474.341649 | 2 | 1 | 0.39794 | 6.124939 | 6.522879 | 0.19897 | strong |
AVBCXCNOXYSOBJ-UHFFFAOYSA-N | P00533 | 6.19382 | 640 | 1 | 1 | null | 6.19382 | 6.19382 | 0 | single |
AVBDTONYELTCBP-UHFFFAOYSA-N | P00533 | 8.69897 | 2 | 1 | 1 | null | 8.69897 | 8.69897 | 0 | single |
AVBGQELSRIZWKU-DHUJRADRSA-N | P00533 | 8.309894 | 4.898979 | 2 | 1 | 0.778151 | 7.920819 | 8.69897 | 0.389076 | moderate |
AVBJNQBGNDBYNQ-FHHGHWCOSA-N | P00533 | 6.826814 | 149 | 1 | 1 | null | 6.826814 | 6.826814 | 0 | single |
AVCICDUXGRYQAB-UHFFFAOYSA-N | P00533 | 5.185752 | 6,520 | 1 | 1 | null | 5.185752 | 5.185752 | 0 | single |
AVFKEKFMIQJECL-UHFFFAOYSA-N | P00533 | 4.613144 | 24,370 | 1 | 1 | null | 4.613144 | 4.613144 | 0 | single |
AVHNHPHSQMBYAJ-UHFFFAOYSA-N | P00533 | 8.585027 | 2.6 | 1 | 1 | null | 8.585027 | 8.585027 | 0 | single |
AVICQXMQJJNWFE-UHFFFAOYSA-N | P00533 | 5.787812 | 1,630 | 1 | 1 | null | 5.787812 | 5.787812 | 0 | single |
AVINRNFZBJEYNB-UHFFFAOYSA-N | P00533 | 6.488117 | 325 | 2 | 1 | 0 | 6.488117 | 6.488117 | 0 | strong |
AVKRWJGYHFZIQI-UHFFFAOYSA-N | P00533 | 5.17 | 6,760.83 | 1 | 1 | null | 5.17 | 5.17 | 0 | single |
AVOGUNCUBRHPCI-XXXNXYCNSA-N | P00533 | 7.142668 | 72 | 1 | 1 | null | 7.142668 | 7.142668 | 0 | single |
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