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 |
|---|---|---|---|---|---|---|---|---|---|---|
ALIUDYYKOYRLCL-VWLOTQADSA-N | P00533 | 8.522879 | 3 | 1 | 1 | null | 8.522879 | 8.522879 | 0 | single |
ALIUINIUQNOYBC-OWOJBTEDSA-N | P00533 | 8.19897 | 6.324555 | 2 | 1 | 1 | 7.69897 | 8.69897 | 0.5 | weak |
ALJUOQUASATKRZ-SANMLTNESA-N | P00533 | 6.661544 | 218 | 1 | 1 | null | 6.661544 | 6.661544 | 0 | single |
ALLFOBCVMVMHJI-UHFFFAOYSA-N | P00533 | 8.917215 | 1.21 | 5 | 1 | 0.78348 | 8.183096 | 8.966576 | 0.309739 | moderate |
ALNHICJWLQIPOZ-UHFFFAOYSA-N | P00533 | 6.958607 | 110 | 1 | 1 | null | 6.958607 | 6.958607 | 0 | single |
ALPFJEXDTPNJSS-UHFFFAOYSA-N | P00533 | 7.60206 | 25 | 2 | 1 | 0 | 7.60206 | 7.60206 | 0 | strong |
ALSMHPPKTFJBJA-QHCPKHFHSA-N | P00533 | 8.154902 | 7 | 1 | 1 | null | 8.154902 | 8.154902 | 0 | single |
ALUHXQXQTNRXQL-KPKJPENVSA-N | P00533 | 5.29243 | 5,100 | 5 | 1 | 1.552842 | 4.69897 | 6.251812 | 0.600352 | weak |
ALVAPOXOHZKAAJ-GFCCVEGCSA-N | P00533 | 6.377786 | 419 | 1 | 1 | null | 6.377786 | 6.377786 | 0 | single |
ALVAPOXOHZKAAJ-LBPRGKRZSA-N | P00533 | 6.839408 | 144.741148 | 2 | 1 | 0.923244 | 6.377786 | 7.30103 | 0.461622 | moderate |
ALVAWRKTVFVSIX-HHHXNRCGSA-N | P00533 | 7.744727 | 18 | 1 | 1 | null | 7.744727 | 7.744727 | 0 | single |
ALVQQLFALDFAEZ-BJMVGYQFSA-N | P00533 | 5.315873 | 4,832 | 1 | 1 | null | 5.315873 | 5.315873 | 0 | single |
ALYYJSYVJNWOTD-KROLTMCQSA-N | P00533 | 6.960983 | 109.4 | 1 | 1 | null | 6.960983 | 6.960983 | 0 | single |
AMAVIRIRUUGUKX-UHFFFAOYSA-N | P00533 | 7.004365 | 99 | 1 | 1 | null | 7.004365 | 7.004365 | 0 | single |
AMBTUIJOXREWFV-UHFFFAOYSA-N | P00533 | 4.41533 | 38,430 | 1 | 1 | null | 4.41533 | 4.41533 | 0 | single |
AMERZUAKIAGPBA-UHFFFAOYSA-N | P00533 | 5.225483 | 5,950 | 1 | 1 | null | 5.225483 | 5.225483 | 0 | single |
AMFPVVQTYDTMMN-UHFFFAOYSA-N | P00533 | 9.136677 | 0.73 | 5 | 1 | 1.257761 | 7.978811 | 9.236572 | 0.537916 | weak |
AMGFBSMVLAHKRN-UHFFFAOYSA-N | P00533 | 5.181387 | 6,585.867384 | 2 | 1 | 0.000774 | 5.181 | 5.181774 | 0.000387 | strong |
AMIDDZHJRZVVOK-UHFFFAOYSA-N | P00533 | 7.60206 | 25 | 1 | 1 | null | 7.60206 | 7.60206 | 0 | single |
AMILNSQCJWLQJG-UHFFFAOYSA-N | P00533 | 6.645892 | 226 | 1 | 1 | null | 6.645892 | 6.645892 | 0 | single |
AMJJLDJPDLKNJA-UHFFFAOYSA-N | P00533 | 3.650515 | 223,606.79775 | 2 | 1 | 0.09691 | 3.60206 | 3.69897 | 0.048455 | strong |
AMJXCROVFRQROE-UHFFFAOYSA-N | P00533 | 8.450016 | 3.548 | 1 | 1 | null | 8.450016 | 8.450016 | 0 | single |
AMKFBXVTNZFKFF-UHFFFAOYSA-N | P00533 | 8.376751 | 4.2 | 1 | 1 | null | 8.376751 | 8.376751 | 0 | single |
AMKNQROTNAOJQE-UHFFFAOYSA-N | P00533 | 6.657577 | 220 | 1 | 1 | null | 6.657577 | 6.657577 | 0 | single |
AMKUXKLKCBIHIX-UHFFFAOYSA-N | P00533 | 4.21 | 61,659.5 | 1 | 1 | null | 4.21 | 4.21 | 0 | single |
AMMNXXCGEOWULQ-UHFFFAOYSA-N | P00533 | 6.657577 | 220 | 1 | 1 | null | 6.657577 | 6.657577 | 0 | single |
AMMOSDRENOSFIO-QCCORQSASA-N | P00533 | 8.68403 | 2.07 | 1 | 1 | null | 8.68403 | 8.68403 | 0 | single |
AMMOSDRENOSFIO-UHFFFAOYSA-N | P00533 | 8.47237 | 3.37 | 1 | 1 | null | 8.47237 | 8.47237 | 0 | single |
AMNMNCDIOSLFSA-UHFFFAOYSA-N | P00533 | 4.909389 | 12,320 | 1 | 1 | null | 4.909389 | 4.909389 | 0 | single |
AMPJVHBLKDNTBD-UHFFFAOYSA-N | P00533 | 5.970616 | 1,070 | 1 | 1 | null | 5.970616 | 5.970616 | 0 | single |
AMPWEQNWLYPIJC-UHFFFAOYSA-N | P00533 | 4.590228 | 25,690.465157 | 2 | 1 | 0.134699 | 4.522879 | 4.657577 | 0.067349 | strong |
AMQBJODOYRDTEZ-UHFFFAOYSA-N | P00533 | 5.259637 | 5,500 | 2 | 1 | 0 | 5.259637 | 5.259637 | 0 | strong |
AMQVRRBXYZICIR-INIZCTEOSA-N | P00533 | 7.08944 | 81.38796 | 2 | 1 | 1.060698 | 6.559091 | 7.619789 | 0.530349 | weak |
AMRBFFLHYWROLQ-UHFFFAOYSA-N | P00533 | 5.394695 | 4,030 | 1 | 1 | null | 5.394695 | 5.394695 | 0 | single |
AMRMZQYHUGBUGI-KDURUIRLSA-N | P00533 | 7.850803 | 14.099291 | 4 | 1 | 3.227029 | 5.994819 | 9.221849 | 1.151395 | weak |
AMSONZZHZCNUHV-UHFFFAOYSA-N | P00533 | 7.740165 | 18.190107 | 8 | 1 | 1.043516 | 7.345823 | 8.38934 | 0.462576 | weak |
AMSUIZRBLJBCCX-XVNBXDOJSA-N | P00533 | 8.960189 | 1.096 | 1 | 1 | null | 8.960189 | 8.960189 | 0 | single |
AMWRJICCKKZLSM-SANMLTNESA-N | P00533 | 8.522879 | 3 | 1 | 1 | null | 8.522879 | 8.522879 | 0 | single |
AMWUVEWQONIXQF-UHFFFAOYSA-N | P00533 | 10.045757 | 0.09 | 5 | 1 | 0.78837 | 9.366532 | 10.154902 | 0.321428 | moderate |
AMXPAPGKEVANSU-UHFFFAOYSA-N | P00533 | 5.259637 | 5,500 | 1 | 1 | null | 5.259637 | 5.259637 | 0 | single |
ANAALSGXUQLWEW-DEOSSOPVSA-N | P00533 | 6.428291 | 373 | 1 | 1 | null | 6.428291 | 6.428291 | 0 | single |
ANAQVLGHFOBDLP-UHFFFAOYSA-N | P00533 | 8.268816 | 5.384979 | 2 | 1 | 0.002419 | 8.267606 | 8.270026 | 0.00121 | strong |
ANBAGHNOTKPXIR-LJQANCHMSA-N | P00533 | 5.259637 | 5,500 | 1 | 1 | null | 5.259637 | 5.259637 | 0 | single |
ANCUEEOEKXHAFS-UHFFFAOYSA-N | P00533 | 3.221849 | 600,000 | 1 | 1 | null | 3.221849 | 3.221849 | 0 | single |
ANDZLYGRJHEVKY-SANMLTNESA-N | P00533 | 6.416801 | 383 | 1 | 1 | null | 6.416801 | 6.416801 | 0 | single |
ANFPFYSQIJYLHA-UHFFFAOYSA-N | P00533 | 7.05061 | 89 | 2 | 1 | 0 | 7.05061 | 7.05061 | 0 | strong |
ANGBZYNNANAOBU-UHFFFAOYSA-N | P00533 | 8.045757 | 9 | 1 | 1 | null | 8.045757 | 8.045757 | 0 | single |
ANIJZPVCHRFHTD-UHFFFAOYSA-N | P00533 | 6.259637 | 550 | 2 | 1 | 0 | 6.259637 | 6.259637 | 0 | strong |
ANNOGSJJXIDSKS-NTUHNPAUSA-N | P00533 | 5.52 | 3,019.95 | 1 | 1 | null | 5.52 | 5.52 | 0 | single |
ANOJHRBABLZKIY-AREMUKBSSA-N | P00533 | 6.970211 | 107.1 | 1 | 1 | null | 6.970211 | 6.970211 | 0 | single |
ANOJHRBABLZKIY-SANMLTNESA-N | P00533 | 8.055517 | 8.8 | 1 | 1 | null | 8.055517 | 8.055517 | 0 | single |
ANQSRGWBVINOHT-DAFODLJHSA-N | P00533 | 6.419075 | 381 | 1 | 1 | null | 6.419075 | 6.419075 | 0 | single |
ANQSRGWBVINOHT-JHBSALDVSA-N | P00533 | 6.419075 | 381 | 1 | 1 | null | 6.419075 | 6.419075 | 0 | single |
ANSWUIBOAMGTKA-UHFFFAOYSA-N | P00533 | 5.132266 | 7,374.518615 | 2 | 1 | 0.000532 | 5.132 | 5.132533 | 0.000266 | strong |
ANTGDNVDDIVKOM-UHFFFAOYSA-N | P00533 | 9.110026 | 0.7762 | 1 | 1 | null | 9.110026 | 9.110026 | 0 | single |
ANUHLKPVOXDYSK-UHFFFAOYSA-N | P00533 | 6.638272 | 230 | 1 | 1 | null | 6.638272 | 6.638272 | 0 | single |
ANVSBKWSKKMDIN-UHFFFAOYSA-N | P00533 | 7.229148 | 59 | 3 | 1 | 0.688629 | 7.080922 | 7.769551 | 0.295939 | moderate |
ANVYMDPUMZNGLO-UHFFFAOYSA-N | P00533 | 7.851865 | 14.06485 | 2 | 1 | 0.004014 | 7.849858 | 7.853872 | 0.002007 | strong |
ANWDRCQFPAPMOG-UHFFFAOYSA-N | P00533 | 9.6915 | 0.20347 | 4 | 1 | 1.066947 | 9.154902 | 10.221849 | 0.531916 | weak |
ANXHUKCBCGPYRY-VWLOTQADSA-N | P00533 | 7.356547 | 44 | 1 | 1 | null | 7.356547 | 7.356547 | 0 | single |
ANXNQHWTVBDUKC-LJAQVGFWSA-N | P00533 | 8.30103 | 5 | 1 | 1 | null | 8.30103 | 8.30103 | 0 | single |
ANZRYSAJGDMCLV-UHFFFAOYSA-N | P00533 | 8.336014 | 4.613025 | 2 | 1 | 1.637776 | 7.517126 | 9.154902 | 0.818888 | weak |
AODCQEOEMRWMAS-UHFFFAOYSA-N | P00533 | 4.377786 | 41,900 | 1 | 1 | null | 4.377786 | 4.377786 | 0 | single |
AOHNEQIPDHMQHB-CMDGGOBGSA-N | P00533 | 7.113429 | 77.014284 | 2 | 1 | 1.690357 | 6.26825 | 7.958607 | 0.845179 | weak |
AOHNZGASXYBKDI-NLFFAJNJSA-N | P00533 | 6.618972 | 240.451658 | 2 | 1 | 2.301158 | 5.468393 | 7.769551 | 1.150579 | weak |
AOIQIHFTKCPVFU-UHFFFAOYSA-N | P00533 | 4.609065 | 24,600 | 1 | 1 | null | 4.609065 | 4.609065 | 0 | single |
AOISRSIVKJVXHU-UHFFFAOYSA-N | P00533 | 7.038897 | 91.433036 | 2 | 1 | 0.033241 | 7.022276 | 7.055517 | 0.01662 | strong |
AOJIGFAFVGOLES-DEOSSOPVSA-N | P00533 | 7.917215 | 12.1 | 1 | 1 | null | 7.917215 | 7.917215 | 0 | single |
AOLILVLGLDVJFD-UHFFFAOYSA-N | P00533 | 5.523313 | 2,997 | 1 | 1 | null | 5.523313 | 5.523313 | 0 | single |
AOLPVUVQHPPDEG-KRWDZBQOSA-N | P00533 | 7.723538 | 18.9 | 1 | 1 | null | 7.723538 | 7.723538 | 0 | single |
AOLPVUVQHPPDEG-QGZVFWFLSA-N | P00533 | 7.078314 | 83.5 | 1 | 1 | null | 7.078314 | 7.078314 | 0 | single |
AOOPOZXOTJTNPJ-PMERELPUSA-N | P00533 | 8.39794 | 4 | 1 | 1 | null | 8.39794 | 8.39794 | 0 | single |
AOPLIFICZMVKLX-SSEXGKCCSA-N | P00533 | 6.815309 | 153 | 1 | 1 | null | 6.815309 | 6.815309 | 0 | single |
AORLUMDMFWSHLT-UHFFFAOYSA-N | P00533 | 9.55145 | 0.280899 | 2 | 1 | 0.002783 | 9.550059 | 9.552842 | 0.001391 | strong |
AORSHELSJMHDBV-UHFFFAOYSA-N | P00533 | 6.008887 | 979.744967 | 2 | 1 | 0.000226 | 6.008774 | 6.009 | 0.000113 | strong |
AOSABXAWFXXAFW-LJAQVGFWSA-N | P00533 | 8.30103 | 5 | 1 | 1 | null | 8.30103 | 8.30103 | 0 | single |
AOUMXCXOJGAKLX-UHFFFAOYSA-N | P00533 | 5.29243 | 5,100 | 1 | 1 | null | 5.29243 | 5.29243 | 0 | single |
AOWZBQWLYJFXSG-UHFFFAOYSA-N | P00533 | 6.209483 | 617.33 | 1 | 1 | null | 6.209483 | 6.209483 | 0 | single |
AOXUCXXQMFHRSG-OAQYLSRUSA-N | P00533 | 6.522879 | 300 | 1 | 1 | null | 6.522879 | 6.522879 | 0 | single |
APBCLSCKMPCKMF-UHFFFAOYSA-N | P00533 | 6.251812 | 560 | 1 | 1 | null | 6.251812 | 6.251812 | 0 | single |
APCFVCIEZAMJBU-FQEVSTJZSA-N | P00533 | 6.721246 | 190 | 1 | 1 | null | 6.721246 | 6.721246 | 0 | single |
APEBZRPPOOOJJN-HNNXBMFYSA-N | P00533 | 9.327902 | 0.47 | 3 | 1 | 2.52162 | 6.898597 | 9.420216 | 1.167553 | weak |
APEHBMOICBLOJP-UHFFFAOYSA-N | P00533 | 6.135489 | 732 | 1 | 1 | null | 6.135489 | 6.135489 | 0 | single |
APHGZZPEOCCYNO-UHFFFAOYSA-N | P00533 | 5.739929 | 1,820 | 1 | 1 | null | 5.739929 | 5.739929 | 0 | single |
APHSPKWGAGCFBE-LUOAPIJWSA-N | P00533 | 8.30103 | 5 | 1 | 1 | null | 8.30103 | 8.30103 | 0 | single |
APIPFXZYOMIJQG-UHFFFAOYSA-N | P00533 | 6.045757 | 900 | 1 | 1 | null | 6.045757 | 6.045757 | 0 | single |
APLZPLMCUGKELH-UHFFFAOYSA-N | P00533 | 5.187087 | 6,500 | 1 | 1 | null | 5.187087 | 5.187087 | 0 | single |
APMWATPURCOVKR-UHFFFAOYSA-N | P00533 | 6.634512 | 232 | 1 | 1 | null | 6.634512 | 6.634512 | 0 | single |
APOIBMWVWXQXNQ-PMERELPUSA-N | P00533 | 8.69897 | 2 | 1 | 1 | null | 8.69897 | 8.69897 | 0 | single |
APOTYTDQPVERBH-UHFFFAOYSA-N | P00533 | 4.702677 | 19,830 | 1 | 1 | null | 4.702677 | 4.702677 | 0 | single |
APTMEHXNVBAXJT-UHFFFAOYSA-N | P00533 | 7.074249 | 84.28523 | 2 | 1 | 0.7151 | 6.716699 | 7.431798 | 0.35755 | moderate |
APXDAYLGZSXVDB-UHFFFAOYSA-N | P00533 | 7.393959 | 40.368304 | 2 | 1 | 0.007961 | 7.389979 | 7.39794 | 0.003981 | strong |
APYYTEJNOZQZNA-MOSHPQCFSA-N | P00533 | 4.659556 | 21,900 | 1 | 1 | null | 4.659556 | 4.659556 | 0 | single |
APZJVORBGFQNIQ-UHFFFAOYSA-N | P00533 | 8.169094 | 6.774954 | 2 | 1 | 1.200915 | 7.568636 | 8.769551 | 0.600457 | weak |
AQBOZCORBWWYIG-UHFFFAOYSA-N | P00533 | 5.230475 | 5,882 | 1 | 1 | null | 5.230475 | 5.230475 | 0 | single |
AQEJOYTVPDGMEW-RRSRKQOQSA-N | P00533 | 7.745399 | 17.972201 | 2 | 1 | 0.048305 | 7.721246 | 7.769551 | 0.024152 | strong |
AQGKLCDIOIRFOM-GOSISDBHSA-N | P00533 | 8.886057 | 1.3 | 1 | 1 | null | 8.886057 | 8.886057 | 0 | single |
AQIJMTSZDSRYIF-UHFFFAOYSA-N | P00533 | 6.845272 | 142.8 | 3 | 1 | 2.482201 | 5.607655 | 8.089856 | 1.013356 | weak |
AQJDDFRQEZZVKP-UHFFFAOYSA-N | P00533 | 6.288193 | 515 | 1 | 1 | null | 6.288193 | 6.288193 | 0 | single |
AQJXNDMSICSIID-UHFFFAOYSA-N | P00533 | 8.50724 | 3.11 | 1 | 1 | null | 8.50724 | 8.50724 | 0 | single |
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