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/nfs/dbraw/zinc/07/22/67/168072267.db2.gz MAQVPTMVKMRGLK-UHFFFAOYSA-N 0 1 181.626 2.258 50 0 AEAAMN COCc1nc2ccc(Cl)cc2[nH]1 11735012 168195937 /nfs/dbraw/zinc/19/59/37/168195937.db2.gz ZGHIOFNHZKLEIZ-UHFFFAOYSA-N 0 1 196.637 2.363 50 0 AEAAMN COCc1nc2ccc(C)cc2[nH]1 5818389 168196364 /nfs/dbraw/zinc/19/63/64/168196364.db2.gz RQKDVZDASNHPNC-UHFFFAOYSA-N 0 1 176.219 2.018 50 0 in-vitro AEAAMN COc1ccc(F)c(O)c1Cl 38529649 168252161 /nfs/dbraw/zinc/25/21/61/168252161.db2.gz YJSDVAWUSTVUQS-UHFFFAOYSA-N 0 1 176.574 2.193 50 0 in-vitro AEAAMN COc1ccc(Cl)c(O)c1F 38529656 168252351 /nfs/dbraw/zinc/25/23/51/168252351.db2.gz YZBJWCVCQBLADF-UHFFFAOYSA-N 0 1 176.574 2.193 50 0 in-vitro AEAAMN COc1ccc(Cl)cc1CN(C)C 32751293 168252405 /nfs/dbraw/zinc/25/24/05/168252405.db2.gz NBVDCYQRNKTQMJ-UHFFFAOYSA-N 0 1 199.681 2.410 50 0 AEAAMN COc1ccc(Cl)c2nc[nH]c12 14000424 168253175 /nfs/dbraw/zinc/25/31/75/168253175.db2.gz XEIWNKUEOLKSIO-UHFFFAOYSA-N 0 1 182.610 2.225 50 0 AEAAMN COc1ccc([C@@H]2NCCS2)cc1 243768 168257463 /nfs/dbraw/zinc/25/74/63/168257463.db2.gz OQFUUZFCTONCOU-SNVBAGLBSA-N 0 1 195.287 2.030 50 0 in-vitro AEAAMN COc1ccc([C@H]2NCCS2)cc1 243767 168260680 /nfs/dbraw/zinc/26/06/80/168260680.db2.gz OQFUUZFCTONCOU-JTQLQIEISA-N 0 1 195.287 2.030 50 0 in-vitro AEAAMN COc1ccc2c(c1)C[C@H](C)N=C2C 95347788 168261330 /nfs/dbraw/zinc/26/13/30/168261330.db2.gz DXZAMPLVUDTVSM-QMMMGPOBSA-N 0 1 189.258 2.449 50 0 in-vitro AEAAMN COc1ccc2c(c1)C[C@@H](C)N=C2C 95347787 168261725 /nfs/dbraw/zinc/26/17/25/168261725.db2.gz DXZAMPLVUDTVSM-MRVPVSSYSA-N 0 1 189.258 2.449 50 0 in-vitro AEAAMN COc1ccc2nc(Cl)[nH]c2c1 4807325 168266451 /nfs/dbraw/zinc/26/64/51/168266451.db2.gz FMDGYQOERIOABX-UHFFFAOYSA-N 0 1 182.610 2.225 50 0 in-vitro AEAAMN COc1ccc2nc(SC)[nH]c2c1 365940 168267014 /nfs/dbraw/zinc/26/70/14/168267014.db2.gz PWMHKUVMHMOAIF-UHFFFAOYSA-N 0 1 194.259 2.293 50 0 AEAAMN COc1cccc([C@H]2NCCS2)c1 33855257 168272429 /nfs/dbraw/zinc/27/24/29/168272429.db2.gz MAZFHPGDLDKIHS-JTQLQIEISA-N 0 1 195.287 2.030 50 0 AEAAMN COc1cccc([C@@H]2NCCS2)c1 33855255 168273276 /nfs/dbraw/zinc/27/32/76/168273276.db2.gz MAZFHPGDLDKIHS-SNVBAGLBSA-N 0 1 195.287 2.030 50 0 AEAAMN CSc1nc(-c2ccccc2)n[nH]1 1023614 168314407 /nfs/dbraw/zinc/31/44/07/168314407.db2.gz HKFUGORCXQUEIS-UHFFFAOYSA-N 0 1 191.259 2.194 50 0 in-vitro AEAAMN C[C@@H](N)c1nc(C(C)(C)C)cs1 3709137 168371845 /nfs/dbraw/zinc/37/18/45/168371845.db2.gz FLWXMRRARGBNSW-ZCFIWIBFSA-N 0 1 184.308 2.460 50 0 in-vitro AEAAMN C[C@@H](N)c1nc(C(F)(F)F)cs1 20438847 168372423 /nfs/dbraw/zinc/37/24/23/168372423.db2.gz DQIGJGIEPDJZDR-GSVOUGTGSA-N 0 1 196.197 2.182 50 0 in-vitro AEAAMN C[C@@H](N)c1nc2ccccc2s1 13425549 168374944 /nfs/dbraw/zinc/37/49/44/168374944.db2.gz LXVJOKQWUUSEEO-ZCFIWIBFSA-N 0 1 178.260 2.316 50 0 in-vitro AEAAMN Cc1ccc(F)c(O)c1Cl 2574978 168819585 /nfs/dbraw/zinc/81/95/85/168819585.db2.gz RPTGCWUNGWVQET-UHFFFAOYSA-N 0 1 160.575 2.493 50 0 in-vitro AEAAMN Cc1ccc2scc(O)c2c1 82404223 168848675 /nfs/dbraw/zinc/84/86/75/168848675.db2.gz FDUUXIYDLKFEPF-UHFFFAOYSA-N 0 1 164.229 2.283 50 0 in-vitro AEAAMN Cc1ccc2c(O)csc2c1 82404225 168850662 /nfs/dbraw/zinc/85/06/62/168850662.db2.gz QJONTQSRKXMSBU-UHFFFAOYSA-N 0 1 164.229 2.283 50 0 in-vitro AEAAMN Cc1ccc2oc(CN)cc2c1 20439018 168857054 /nfs/dbraw/zinc/85/70/54/168857054.db2.gz LNHJWZLDJYOZGC-UHFFFAOYSA-N 0 1 161.204 2.200 50 0 in-vitro AEAAMN Cc1oc(-c2ccccc2)nc1CN 12370181 169007417 /nfs/dbraw/zinc/00/74/17/169007417.db2.gz LEKZZMAVLLJSNA-UHFFFAOYSA-N 0 1 188.230 2.109 50 0 in-vitro AEAAMN Cc1sc(CN)nc1C(C)C 37755178 169014333 /nfs/dbraw/zinc/01/43/33/169014333.db2.gz XYSUDYHMINBQHK-UHFFFAOYSA-N 0 1 170.281 2.034 50 0 AEAAMN Clc1cc2[nH]cnc2c(Cl)n1 13283647 169021470 /nfs/dbraw/zinc/02/14/70/169021470.db2.gz FDXNZTUWNBRZDX-UHFFFAOYSA-N 0 1 188.017 2.265 50 0 in-vitro AEAAMN Clc1cc2nn[nH]c2cc1Cl 4878159 169022171 /nfs/dbraw/zinc/02/21/71/169022171.db2.gz HHEBHJLYNLALHM-UHFFFAOYSA-N 0 1 188.017 2.265 50 0 in-vitro AEAAMN Clc1ccc([C@@H]2COCCN2)cc1 2513106 169022825 /nfs/dbraw/zinc/02/28/25/169022825.db2.gz NGXIQCGISJJWHS-JTQLQIEISA-N 0 1 197.665 2.001 50 0 in-vitro AEAAMN Clc1ccc(CN2CCCC2)cn1 13798253 169023475 /nfs/dbraw/zinc/02/34/75/169023475.db2.gz FBTLLOGYEKBETB-UHFFFAOYSA-N 0 1 196.681 2.331 50 0 in-vitro AEAAMN Clc1ccc2nc[nH]c2c1 5425423 169023697 /nfs/dbraw/zinc/02/36/97/169023697.db2.gz NKLOLMQJDLMZRE-UHFFFAOYSA-N 0 1 152.584 2.216 50 0 in-vitro AEAAMN Clc1ccc([C@H]2COCCN2)cc1 11803335 169023721 /nfs/dbraw/zinc/02/37/21/169023721.db2.gz NGXIQCGISJJWHS-SNVBAGLBSA-N 0 1 197.665 2.001 50 0 in-vitro AEAAMN Clc1ccccc1[C@H]1CNCCO1 11803028 169024406 /nfs/dbraw/zinc/02/44/06/169024406.db2.gz GZOCSISIGGFMGP-SNVBAGLBSA-N 0 1 197.665 2.001 50 0 in-vitro AEAAMN Clc1ccccc1[C@@H]1CNCCO1 2513062 169024500 /nfs/dbraw/zinc/02/45/00/169024500.db2.gz GZOCSISIGGFMGP-JTQLQIEISA-N 0 1 197.665 2.001 50 0 in-vitro AEAAMN Clc1ccccc1-c1nnc[nH]1 4218608 169024510 /nfs/dbraw/zinc/02/45/10/169024510.db2.gz HUJUBANPLITKPV-UHFFFAOYSA-N 0 1 179.610 2.125 50 0 in-vitro AEAAMN Clc1cccc(-c2nnc[nH]2)c1 62718969 169024912 /nfs/dbraw/zinc/02/49/12/169024912.db2.gz RCYNSIUZTQULBK-UHFFFAOYSA-N 0 1 179.610 2.125 50 0 AEAAMN Clc1cccc([C@@H]2COCCN2)c1 11803331 169025455 /nfs/dbraw/zinc/02/54/55/169025455.db2.gz BVVLTFIYZDQMAU-JTQLQIEISA-N 0 1 197.665 2.001 50 0 AEAAMN Clc1cccc([C@H]2COCCN2)c1 11803333 169025713 /nfs/dbraw/zinc/02/57/13/169025713.db2.gz BVVLTFIYZDQMAU-SNVBAGLBSA-N 0 1 197.665 2.001 50 0 AEAAMN Clc1ncccc1CN1CCCC1 52708942 169027687 /nfs/dbraw/zinc/02/76/87/169027687.db2.gz WVWYJQXNCGRDCG-UHFFFAOYSA-N 0 1 196.681 2.331 50 0 in-vitro AEAAMN FC(F)c1[nH]nc2c1CCCC2 12394380 169074518 /nfs/dbraw/zinc/07/45/18/169074518.db2.gz OGUSNGSCFPPYNE-UHFFFAOYSA-N 0 1 172.178 2.226 50 0 AEAAMN Fc1cc2[nH]cnc2cc1Cl 13656634 169082030 /nfs/dbraw/zinc/08/20/30/169082030.db2.gz YITVVUARATZCAT-UHFFFAOYSA-N 0 1 170.574 2.355 50 0 in-vitro AEAAMN Fc1ccc([C@H]2NCCS2)cc1 52537784 169084689 /nfs/dbraw/zinc/08/46/89/169084689.db2.gz SPVFGDPOEAQORJ-VIFPVBQESA-N 0 1 183.251 2.161 50 0 in-vitro AEAAMN Fc1ccc([C@@H]2NCCS2)cc1 52537781 169084782 /nfs/dbraw/zinc/08/47/82/169084782.db2.gz SPVFGDPOEAQORJ-SECBINFHSA-N 0 1 183.251 2.161 50 0 in-vitro AEAAMN Fc1ccc2nc(Cl)[nH]c2c1 35940042 169084827 /nfs/dbraw/zinc/08/48/27/169084827.db2.gz UZIXQYXXJBMILL-UHFFFAOYSA-N 0 1 170.574 2.355 50 0 in-vitro AEAAMN Fc1cccc(F)c1CNC1CC1 22223213 169085502 /nfs/dbraw/zinc/08/55/02/169085502.db2.gz PJJAYNMZLKUGNZ-UHFFFAOYSA-N 0 1 183.201 2.217 50 0 in-vitro AEAAMN Fc1cccc(-c2nc(=S)o[nH]2)c1 61881137 169085670 /nfs/dbraw/zinc/08/56/70/169085670.db2.gz KENLNKGREQWPPC-UHFFFAOYSA-N 0 1 196.206 2.164 50 0 in-vitro AEAAMN Fc1ccc[nH]c1=NN1CCCCC1 148245361 169088978 /nfs/dbraw/zinc/08/89/78/169088978.db2.gz WCAQMNQLGAWWCD-UHFFFAOYSA-N 0 1 195.241 2.034 50 0 AEAAMN N=C1CSc2ccccc2N1 336180 169144638 /nfs/dbraw/zinc/14/46/38/169144638.db2.gz SBZQHWWTOVFQFD-UHFFFAOYSA-N 0 1 164.233 2.181 50 0 in-vitro AEAAMN NCc1ccc(-c2ccccc2)o1 14949858 169221857 /nfs/dbraw/zinc/22/18/57/169221857.db2.gz HQHHWOJYOUTZHZ-UHFFFAOYSA-N 0 1 173.215 2.405 50 0 in-vivo AEAAMN NCc1nc(-c2ccccc2)cs1 2545010 169228398 /nfs/dbraw/zinc/22/83/98/169228398.db2.gz AFSCUDNEJWEMEA-UHFFFAOYSA-N 0 1 190.271 2.269 50 0 in-vitro AEAAMN NCc1nc2c(ccc3ccccc32)[nH]1 5909108 169228697 /nfs/dbraw/zinc/22/86/97/169228697.db2.gz OLXCQAPSFQXYCE-UHFFFAOYSA-N 0 1 197.241 2.175 50 0 AEAAMN NCc1nc2cc3ccccc3cc2[nH]1 2483005 169229069 /nfs/dbraw/zinc/22/90/69/169229069.db2.gz AJKYFNXDRVSPJH-UHFFFAOYSA-N 0 1 197.241 2.175 50 0 AEAAMN NCc1nc2cc(Cl)ccc2s1 19815126 169229592 /nfs/dbraw/zinc/22/95/92/169229592.db2.gz VFULOPFTUQAWMP-UHFFFAOYSA-N 0 1 198.678 2.408 50 0 in-vitro AEAAMN N[C@@H](CC1CCCC1)c1ncccn1 53820581 169243004 /nfs/dbraw/zinc/24/30/04/169243004.db2.gz QRFMJIWTYOQQOK-JTQLQIEISA-N 0 1 191.278 2.057 50 0 AEAAMN N[C@@H](CCc1ccccc1)C(F)F 87687491 169244886 /nfs/dbraw/zinc/24/48/86/169244886.db2.gz PYIMECQVKFNUED-VIFPVBQESA-N 0 1 185.217 2.212 50 0 in-vitro AEAAMN N[C@@H](c1ccccc1)c1ccccn1 133211 169248913 /nfs/dbraw/zinc/24/89/13/169248913.db2.gz BAEZXIOBOOEPOS-LBPRGKRZSA-N 0 1 184.242 2.130 50 0 in-vitro AEAAMN N[C@@H](c1ccccc1)c1ccco1 4218171 169249646 /nfs/dbraw/zinc/24/96/46/169249646.db2.gz PUJSAEOHZQWRLE-NSHDSACASA-N 0 1 173.215 2.328 50 0 in-vitro AEAAMN N[C@@H](c1ccccn1)c1cccs1 58130699 169249671 /nfs/dbraw/zinc/24/96/71/169249671.db2.gz UNWCCCQRNJNHAJ-JTQLQIEISA-N 0 1 190.271 2.191 50 0 AEAAMN N[C@H](CC1CCCC1)c1ncccn1 53820579 169263716 /nfs/dbraw/zinc/26/37/16/169263716.db2.gz QRFMJIWTYOQQOK-SNVBAGLBSA-N 0 1 191.278 2.057 50 0 AEAAMN N[C@H](CCc1ccccc1)C(F)F 87687492 169265492 /nfs/dbraw/zinc/26/54/92/169265492.db2.gz PYIMECQVKFNUED-SECBINFHSA-N 0 1 185.217 2.212 50 0 in-vitro AEAAMN N[C@H](c1ccccc1)c1ccco1 307335 169269526 /nfs/dbraw/zinc/26/95/26/169269526.db2.gz PUJSAEOHZQWRLE-LLVKDONJSA-N 0 1 173.215 2.328 50 0 in-vitro AEAAMN N[C@H](c1ccccc1)c1ccccn1 133216 169269941 /nfs/dbraw/zinc/26/99/41/169269941.db2.gz BAEZXIOBOOEPOS-GFCCVEGCSA-N 0 1 184.242 2.130 50 0 in-vitro AEAAMN N[C@H](c1ccccn1)c1cccs1 58130705 169270236 /nfs/dbraw/zinc/27/02/36/169270236.db2.gz UNWCCCQRNJNHAJ-SNVBAGLBSA-N 0 1 190.271 2.191 50 0 AEAAMN Nc1cc(CCc2ccccc2)ccn1 34183886 169285427 /nfs/dbraw/zinc/28/54/27/169285427.db2.gz VDMBMDXLWKXMIQ-UHFFFAOYSA-N 0 1 198.269 2.449 50 0 in-vitro AEAAMN Nc1cc(Cl)c(O)c(Cl)c1 157166 169285576 /nfs/dbraw/zinc/28/55/76/169285576.db2.gz KGEXISHTCZHGFT-UHFFFAOYSA-N 0 1 178.018 2.281 50 0 in-vitro AEAAMN Nc1ccc2[nH]c(C3CCC3)nc2c1 19504940 169295405 /nfs/dbraw/zinc/29/54/05/169295405.db2.gz YZMUYZRVSLJPIN-UHFFFAOYSA-N 0 1 187.246 2.413 50 0 in-vitro AEAAMN Nc1ccc2[nH]c(C3CC3)nc2c1 19807347 169295952 /nfs/dbraw/zinc/29/59/52/169295952.db2.gz OPNFPQPOXBKHMM-UHFFFAOYSA-N 0 1 173.219 2.023 50 0 AEAAMN Nc1ccc2nc(-c3ccco3)[nH]c2c1 184648 169296242 /nfs/dbraw/zinc/29/62/42/169296242.db2.gz VNTKPXBQPUSWQY-UHFFFAOYSA-N 0 1 199.213 2.405 50 0 in-vitro AEAAMN Nc1cccc(Nc2ccncc2)c1 19470703 169296349 /nfs/dbraw/zinc/29/63/49/169296349.db2.gz VVUXXNFYPNKDJY-UHFFFAOYSA-N 0 1 185.230 2.407 50 0 in-vitro AEAAMN Nc1ccccc1Nc1ccncc1 1578896 169298435 /nfs/dbraw/zinc/29/84/35/169298435.db2.gz WDRQNOGGIOMQNA-UHFFFAOYSA-N 0 1 185.230 2.407 50 0 in-vitro AEAAMN Nc1ccnc2cc(Cl)ccc12 436635 169300715 /nfs/dbraw/zinc/30/07/15/169300715.db2.gz NDRZSRWMMUGOBP-UHFFFAOYSA-N 0 1 178.622 2.470 50 0 AEAAMN Nc1ccnc2cccc(Cl)c12 71624712 169301215 /nfs/dbraw/zinc/30/12/15/169301215.db2.gz JQZNHGOMVIJEAJ-UHFFFAOYSA-N 0 1 178.622 2.470 50 0 in-vitro AEAAMN Nc1nc2ccccc2n1CC1CC1 20586056 169308054 /nfs/dbraw/zinc/30/80/54/169308054.db2.gz WWFYTACYBRMYFI-UHFFFAOYSA-N 0 1 187.246 2.029 50 0 AEAAMN O=C1CCN(CC2CCCCC2)CC1 19512479 169373538 /nfs/dbraw/zinc/37/35/38/169373538.db2.gz NDBCDBUOZCCWQQ-UHFFFAOYSA-N 0 1 195.306 2.232 50 0 in-vitro AEAAMN O=C1CCc2cc(O)cc(Cl)c21 86005679 169377747 /nfs/dbraw/zinc/37/77/47/169377747.db2.gz KDRCVDSYTJRFMF-UHFFFAOYSA-N 0 1 182.606 2.175 50 0 AEAAMN Oc1csc2c(F)cccc12 107404219 169380912 /nfs/dbraw/zinc/38/09/12/169380912.db2.gz MUFPWILSPRCLFY-UHFFFAOYSA-N 0 1 168.192 2.114 50 0 AEAAMN O=Cc1[nH]nc2c(Cl)cccc12 14983555 169406712 /nfs/dbraw/zinc/40/67/12/169406712.db2.gz XDIRYFSRHLGYFR-UHFFFAOYSA-N 0 1 180.594 2.029 50 0 in-vitro AEAAMN O=c1cc(Cl)[nH]c(C(F)(F)F)c1 95933649 169456739 /nfs/dbraw/zinc/45/67/39/169456739.db2.gz IWHZJFOEGCEWAS-UHFFFAOYSA-N 0 1 197.543 2.459 50 0 in-vitro AEAAMN c1ccc(SCc2c[nH]nn2)cc1 95562019 169477179 /nfs/dbraw/zinc/47/71/79/169477179.db2.gz IEHAAJNQHNAQBA-UHFFFAOYSA-N 0 1 191.259 2.097 50 0 in-vitro AEAAMN c1ccc([C@@H]2NCCS2)cc1 52537769 169477726 /nfs/dbraw/zinc/47/77/26/169477726.db2.gz NXOMVTLTYYYYPC-SECBINFHSA-N 0 1 165.261 2.022 50 0 in-vitro AEAAMN c1ccn(-c2ccc3n[nH]cc3c2)c1 1519954 169481349 /nfs/dbraw/zinc/48/13/49/169481349.db2.gz NBMNIXINRYBMQW-UHFFFAOYSA-N 0 1 183.214 2.354 50 0 AEAAMN Oc1c(F)cccc1Cl 2382268 171005364 /nfs/dbraw/zinc/00/53/64/171005364.db2.gz QIAQIYQASAWZPP-UHFFFAOYSA-N 0 1 146.548 2.185 50 0 in-vitro AEAAMN 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/nfs/dbraw/zinc/35/23/98/207352398.db2.gz NWBISWZGDOEFBC-QMMMGPOBSA-N 0 1 153.225 2.326 50 0 in-vitro AEAAMN Cc1cc(-c2cc(=O)[nH][nH]2)c(C)s1 94781 342926530 /nfs/dbraw/zinc/92/65/30/342926530.db2.gz ZMPTZBVGGPOUDL-UHFFFAOYSA-N 0 1 194.259 2.461 50 0 AEAAMN C[C@H](O)c1nc2ccc(Cl)cc2[nH]1 104388 342926708 /nfs/dbraw/zinc/92/67/08/342926708.db2.gz VFJYRNNAJWCSRK-YFKPBYRVSA-N 0 1 196.637 2.270 50 0 in-vitro AEAAMN Oc1c(F)cc(F)cc1-c1cc[nH]n1 140092 342928151 /nfs/dbraw/zinc/92/81/51/342928151.db2.gz JUXBDWQXPZSIML-UHFFFAOYSA-N 0 1 196.156 2.061 50 0 AEAAMN Cc1[nH]nc2cccc(F)c12 139806 342928197 /nfs/dbraw/zinc/92/81/97/342928197.db2.gz PTONAHDKOCUIPS-UHFFFAOYSA-N 0 1 150.156 2.010 50 0 in-vitro AEAAMN CN(C)Cc1ccccc1Cl 332448 342933727 /nfs/dbraw/zinc/93/37/27/342933727.db2.gz MZKKJAOOPDDXQQ-UHFFFAOYSA-N 0 1 169.655 2.402 50 0 AEAAMN CC(C)c1nc2cc(N)ccc2[nH]1 337259 342934478 /nfs/dbraw/zinc/93/44/78/342934478.db2.gz CSAYYKPWXOVGEU-UHFFFAOYSA-N 0 1 175.235 2.269 50 0 AEAAMN 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CCCCSc1nnc(C)[nH]1 9028128 343021136 /nfs/dbraw/zinc/02/11/36/343021136.db2.gz DQNQLKBIJRWEAL-UHFFFAOYSA-N 0 1 171.269 2.005 50 0 AEAAMN Cc1ccc(-c2cc(CN)no2)cc1 11920176 343026915 /nfs/dbraw/zinc/02/69/15/343026915.db2.gz XUZAZIRLRAUPST-UHFFFAOYSA-N 0 1 188.230 2.109 50 0 in-vitro AEAAMN Cc1nc2ccc(F)cc2[nH]1 12672023 343031904 /nfs/dbraw/zinc/03/19/04/343031904.db2.gz IWDUKSHNFODGKM-UHFFFAOYSA-N 0 1 150.156 2.010 50 0 in-vitro AEAAMN Cc1nc2ccc3ncccc3c2[nH]1 13282280 343033446 /nfs/dbraw/zinc/03/34/46/343033446.db2.gz IUQHRMZIDYAPEW-UHFFFAOYSA-N 0 1 183.214 2.420 50 0 AEAAMN C[C@H](N)c1nc2ccccc2s1 13425550 343034724 /nfs/dbraw/zinc/03/47/24/343034724.db2.gz LXVJOKQWUUSEEO-LURJTMIESA-N 0 1 178.260 2.316 50 0 in-vitro AEAAMN Cc1cc(C)c2cn[nH]c2c1 14984687 343040593 /nfs/dbraw/zinc/04/05/93/343040593.db2.gz LLOIRKZANCKXOG-UHFFFAOYSA-N 0 1 146.193 2.180 50 0 AEAAMN Cc1cc(F)c2cn[nH]c2c1 14984707 343041078 /nfs/dbraw/zinc/04/10/78/343041078.db2.gz OTGJUTKIPURIBB-UHFFFAOYSA-N 0 1 150.156 2.010 50 0 in-vitro AEAAMN CCCCc1nc2cc(N)ccc2[nH]1 19431685 343055249 /nfs/dbraw/zinc/05/52/49/343055249.db2.gz QWQYWLVNKZCGIM-UHFFFAOYSA-N 0 1 189.262 2.488 50 0 in-vitro AEAAMN Cc1ccc(-c2nc(CN)co2)cc1 19723000 343058839 /nfs/dbraw/zinc/05/88/39/343058839.db2.gz BUOOJNCQAYOJQQ-UHFFFAOYSA-N 0 1 188.230 2.109 50 0 in-vitro AEAAMN C[C@H](N)c1nc(C(F)(F)F)cs1 20438850 343073124 /nfs/dbraw/zinc/07/31/24/343073124.db2.gz DQIGJGIEPDJZDR-VKHMYHEASA-N 0 1 196.197 2.182 50 0 in-vitro AEAAMN CCc1nc2nc(C)cc(C)c2[nH]1 22058897 343078045 /nfs/dbraw/zinc/07/80/45/343078045.db2.gz XWWJWZJOSWSJQV-UHFFFAOYSA-N 0 1 175.235 2.137 50 0 in-vivo AEAAMN Cc1nc(-c2ccccc2)oc1CN 26340290 343088009 /nfs/dbraw/zinc/08/80/09/343088009.db2.gz VCAYHDQQJIEHNH-UHFFFAOYSA-N 0 1 188.230 2.109 50 0 in-vitro AEAAMN Cc1nc2ccc(C)c(C)c2[nH]1 27993615 343091433 /nfs/dbraw/zinc/09/14/33/343091433.db2.gz MQOSRBNWLNRDOU-UHFFFAOYSA-N 0 1 160.220 2.488 50 0 AEAAMN CCCCCC(O)=C(C)C(C)=O 32167536 343099282 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343169597 /nfs/dbraw/zinc/16/95/97/343169597.db2.gz WVFDOYUFYUNJTM-CYBMUJFWSA-N 0 1 198.269 2.438 50 0 in-vitro AEAAMN Cc1c(CN)oc2ccc(F)cc12 38342440 343187522 /nfs/dbraw/zinc/18/75/22/343187522.db2.gz CZKCOEWIKMELRA-UHFFFAOYSA-N 0 1 179.194 2.339 50 0 in-vitro AEAAMN CC(C)c1nnc(C(C)C)[nH]1 38843598 343191005 /nfs/dbraw/zinc/19/10/05/343191005.db2.gz GBXKHQMLNCTDEG-UHFFFAOYSA-N 0 1 153.229 2.052 50 0 in-vitro AEAAMN Cc1cc(CN2CCC[C@H](C)C2)no1 39985793 343214889 /nfs/dbraw/zinc/21/48/89/343214889.db2.gz FKIOCZKGKVNSNW-VIFPVBQESA-N 0 1 194.278 2.215 50 0 AEAAMN Cc1cc(CN2CCCC[C@H]2C)no1 39985826 343214978 /nfs/dbraw/zinc/21/49/78/343214978.db2.gz OXNZQDHNVHQVQX-SECBINFHSA-N 0 1 194.278 2.357 50 0 AEAAMN Cc1cc(CN2CCC[C@@H](C)C2)no1 39985794 343214990 /nfs/dbraw/zinc/21/49/90/343214990.db2.gz FKIOCZKGKVNSNW-SECBINFHSA-N 0 1 194.278 2.215 50 0 AEAAMN Cc1cc(C)c2c(n1)CCCN2 40165658 343215487 /nfs/dbraw/zinc/21/54/87/343215487.db2.gz XRRDQLXQFFVCHI-UHFFFAOYSA-N 0 1 162.236 2.057 50 0 AEAAMN 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/nfs/dbraw/zinc/69/28/79/343692879.db2.gz RTLYJQQUEHWQIG-GFCCVEGCSA-N 0 1 191.274 2.230 50 0 AEAAMN Cc1cccc([C@H]2NCCS2)c1 97922855 343704333 /nfs/dbraw/zinc/70/43/33/343704333.db2.gz XGRWDOHURTVHMY-JTQLQIEISA-N 0 1 179.288 2.330 50 0 AEAAMN Cc1cccc([C@@H]2NCCS2)c1 97922854 343704405 /nfs/dbraw/zinc/70/44/05/343704405.db2.gz XGRWDOHURTVHMY-SNVBAGLBSA-N 0 1 179.288 2.330 50 0 AEAAMN Fc1ccc(CN2CC=CC2)cc1 100009678 343708493 /nfs/dbraw/zinc/70/84/93/343708493.db2.gz MVMHOUUQCHXFCK-UHFFFAOYSA-N 0 1 177.222 2.198 50 0 AEAAMN CCc1ccc(C(O)=CC(C)=O)cc1 100351627 343715648 /nfs/dbraw/zinc/71/56/48/343715648.db2.gz AWIWGSJPMJMLFL-UHFFFAOYSA-N 0 1 190.242 2.411 50 0 AEAAMN Cc1n[nH]nc1-c1ccc(Cl)cc1 170620403 344354216 /nfs/dbraw/zinc/35/42/16/344354216.db2.gz IIPOQCXWGRGHQM-UHFFFAOYSA-N 0 1 193.637 2.434 50 0 AEAAMN CC(C)(C)c1ccc(CN)o1 200247062 344362995 /nfs/dbraw/zinc/36/29/95/344362995.db2.gz ARQMYMVYJDUITE-UHFFFAOYSA-N 0 1 153.225 2.036 50 0 AEAAMN FC1(F)CNC[C@H]1c1ccccc1 205331231 344371023 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