smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@H]1CCCCNC1=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159741260 295851373 /nfs/dbraw/zinc/85/13/73/295851373.db2.gz WZEPGJUWYPUXND-KWQFWETISA-N 0 0 344.337 1.318 20 70 EDIDRN Cc1nc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc(C2CC2)n1 ZINC000159921098 540016848 /nfs/dbraw/zinc/01/68/48/540016848.db2.gz JZQALTGCSFAMLL-CYBMUJFWSA-N 0 0 338.433 1.415 20 70 EDIDRN CCC(=O)N1CC[C@@H](NC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)C1 ZINC000159967867 540017436 /nfs/dbraw/zinc/01/74/36/540017436.db2.gz LVCYUNONPAEALY-UKRRQHHQSA-N 0 0 333.432 1.976 20 70 EDIDRN Cc1ccccc1OCC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000160519883 540023659 /nfs/dbraw/zinc/02/36/59/540023659.db2.gz UGUCFAFHTWQXCS-KGLIPLIRSA-N 0 0 340.445 1.208 20 70 EDIDRN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCc1ccccc1F ZINC000160657540 540024419 /nfs/dbraw/zinc/02/44/19/540024419.db2.gz GOHGOYAKZIOHRX-DZGCQCFKSA-N 0 0 342.436 1.592 20 70 EDIDRN CC(C)NC(=O)c1ccc(C(=O)N(CC(N)=O)C2CCCC2)cc1 ZINC000160852836 540028231 /nfs/dbraw/zinc/02/82/31/540028231.db2.gz ZTUAFAGJLHSOSU-UHFFFAOYSA-N 0 0 331.416 1.695 20 70 EDIDRN CCc1c(C(=O)Nc2ccc(CC(=O)NC)cc2)[nH]c(C)c1C(N)=O ZINC000160859533 540028250 /nfs/dbraw/zinc/02/82/50/540028250.db2.gz QEJKTSLWFKNKRL-UHFFFAOYSA-N 0 0 342.399 1.525 20 70 EDIDRN Cn1c(=O)cccc1C(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000161004423 540029408 /nfs/dbraw/zinc/02/94/08/540029408.db2.gz SLLJKXGYMAPKLQ-UHFFFAOYSA-N 0 0 327.384 1.470 20 70 EDIDRN C[C@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)[C@@H]1CN(C)CCO1 ZINC000161253655 540031637 /nfs/dbraw/zinc/03/16/37/540031637.db2.gz VBCXTVNMUQCYLT-NHYWBVRUSA-N 0 0 347.419 1.734 20 70 EDIDRN Cc1ccccc1CCC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000160685584 138640926 /nfs/dbraw/zinc/64/09/26/138640926.db2.gz OPAVTLWGTVDQLH-CVEARBPZSA-N 0 0 338.473 1.762 20 70 EDIDRN C[C@@H](NC(=O)c1cnc2c(c1)ncn2C)c1nnc2n1CCCC2 ZINC000160854122 138641641 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206245240 /nfs/dbraw/zinc/24/52/40/206245240.db2.gz YMRMMJVQLQHUCV-UHFFFAOYSA-N 0 0 325.434 1.348 20 70 EDIDRN COc1ccccc1[C@H](O)CNS(=O)(=O)c1cnn(C(C)C)c1 ZINC000159369285 206242428 /nfs/dbraw/zinc/24/24/28/206242428.db2.gz QUUDSJXMBGBPAE-CQSZACIVSA-N 0 0 339.417 1.485 20 70 EDIDRN Cc1[nH]nc2ncc(NC(=O)c3cn(CC(=O)C(C)(C)C)nn3)cc12 ZINC000159646712 206255796 /nfs/dbraw/zinc/25/57/96/206255796.db2.gz FZNGBOYSMOQDMG-UHFFFAOYSA-N 0 0 341.375 1.725 20 70 EDIDRN NS(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]3OCC[C@@H]32)cs1 ZINC000159833355 206264634 /nfs/dbraw/zinc/26/46/34/206264634.db2.gz LHPYCFTUJDVCHA-VWYCJHECSA-N 0 0 330.431 1.083 20 70 EDIDRN CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CCCc2sccc21 ZINC000159846038 206266500 /nfs/dbraw/zinc/26/65/00/206266500.db2.gz DLKOKAHKAAJLER-ZDUSSCGKSA-N 0 0 337.445 1.274 20 70 EDIDRN Cc1ccc(CNC(=O)CSCCN2CCOCC2)cc1F ZINC000159875386 206269209 /nfs/dbraw/zinc/26/92/09/206269209.db2.gz RBYIFPXUXWWUGB-UHFFFAOYSA-N 0 0 326.437 1.816 20 70 EDIDRN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCO2)cc1 ZINC000159950031 206272044 /nfs/dbraw/zinc/27/20/44/206272044.db2.gz HUGPHHODFBZTLZ-AWEZNQCLSA-N 0 0 326.418 1.881 20 70 EDIDRN CNC(=O)COc1cccc(CC(=O)NC[C@H]2CCCC[C@@H]2O)c1 ZINC000159957963 206272092 /nfs/dbraw/zinc/27/20/92/206272092.db2.gz WUWDQBPHDXDJCH-ZBFHGGJFSA-N 0 0 334.416 1.021 20 70 EDIDRN CCS(=O)(=O)N(C)CC(=O)N(C)c1ccc(OC)c(Cl)c1 ZINC000159975901 206273100 /nfs/dbraw/zinc/27/31/00/206273100.db2.gz SLGWTSBYTWJVNR-UHFFFAOYSA-N 0 0 334.825 1.593 20 70 EDIDRN CCCN(CCN1C(=O)CCC1=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000160049551 206277388 /nfs/dbraw/zinc/27/73/88/206277388.db2.gz RZHYDKIGVDVLDW-CQSZACIVSA-N 0 0 331.416 1.875 20 70 EDIDRN CC(C)CS(=O)(=O)CC(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000160054812 206277569 /nfs/dbraw/zinc/27/75/69/206277569.db2.gz ZJFDZVSOLYCMJM-ZBFHGGJFSA-N 0 0 341.473 1.728 20 70 EDIDRN CN1C[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)CCC1=O ZINC000160050930 206278063 /nfs/dbraw/zinc/27/80/63/206278063.db2.gz 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Cc1cc(C)n(-c2ccc(NC(=O)N(CCO)CCO)cc2F)n1 ZINC000159574698 206253433 /nfs/dbraw/zinc/25/34/33/206253433.db2.gz LZXFOWMZUVLQJD-UHFFFAOYSA-N 0 0 336.367 1.447 20 70 EDIDRN O=C(CNC(=O)Cc1cccc(F)c1)N[C@H]1CCC[C@H]2OCC[C@@H]21 ZINC000159793942 206264363 /nfs/dbraw/zinc/26/43/63/206264363.db2.gz QHUWNQRQCIIIOH-OWCLPIDISA-N 0 0 334.391 1.558 20 70 EDIDRN COC(=O)c1csc(NC(=O)C(=O)NCCc2cccs2)c1 ZINC000159810335 206265355 /nfs/dbraw/zinc/26/53/55/206265355.db2.gz FSOSFUBTJZPRDE-UHFFFAOYSA-N 0 0 338.410 1.894 20 70 EDIDRN COC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Cl)c1Cl ZINC000159838452 206265823 /nfs/dbraw/zinc/26/58/23/206265823.db2.gz GFVFTHVLZXUQMM-NSHDSACASA-N 0 0 331.199 1.857 20 70 EDIDRN CS(=O)(=O)N1CC[C@@H](CNC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000159929749 206272033 /nfs/dbraw/zinc/27/20/33/206272033.db2.gz JHECNOXLKRNPCM-VIFPVBQESA-N 0 0 349.815 1.882 20 70 EDIDRN Cn1cccc(NC(=O)CCN2c3ccccc3CCC2=O)c1=O ZINC000159919061 206270383 /nfs/dbraw/zinc/27/03/83/206270383.db2.gz RBGYNYBGARYNDB-UHFFFAOYSA-N 0 0 325.368 1.693 20 70 EDIDRN CC(=O)C[C@@H](C)NC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000159960383 206272838 /nfs/dbraw/zinc/27/28/38/206272838.db2.gz GGGBLEJJXZINPG-OJLVUWQFSA-N 0 0 348.443 1.836 20 70 EDIDRN CN(C)C(=O)COc1cccc(CNC(=O)[C@@H](O)c2ccccc2)c1 ZINC000159994975 206274346 /nfs/dbraw/zinc/27/43/46/206274346.db2.gz JPGYYMLSQOKUDT-SFHVURJKSA-N 0 0 342.395 1.503 20 70 EDIDRN CNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](C)C2)s1 ZINC000160068249 206277487 /nfs/dbraw/zinc/27/74/87/206277487.db2.gz LJTONBICDAVHTP-MNOVXSKESA-N 0 0 345.490 1.844 20 70 EDIDRN CC[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1c(C)noc1C ZINC000160065252 206278345 /nfs/dbraw/zinc/27/83/45/206278345.db2.gz ATQKIWHOMHMCAZ-LBPRGKRZSA-N 0 0 344.375 1.002 20 70 EDIDRN CCNC(=O)N1CC[C@H](NC(=O)c2cnn(CC(C)C)c2C2CC2)C1 ZINC000160089648 206279054 /nfs/dbraw/zinc/27/90/54/206279054.db2.gz UOJSPZGUURMPRD-AWEZNQCLSA-N 0 0 347.463 1.950 20 70 EDIDRN Cn1cnnc1CNC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000160129296 206281013 /nfs/dbraw/zinc/28/10/13/206281013.db2.gz WQFKDDYLDNDHHL-VXGBXAGGSA-N 0 0 337.424 1.515 20 70 EDIDRN CC(C)(CNC(=O)C(=O)Nc1cccnc1-c1ccccc1)C(N)=O ZINC000160118862 206281190 /nfs/dbraw/zinc/28/11/90/206281190.db2.gz FSQGFUICXQSHKZ-UHFFFAOYSA-N 0 0 340.383 1.315 20 70 EDIDRN COc1nc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)cc2ccccc21 ZINC000160184785 206283746 /nfs/dbraw/zinc/28/37/46/206283746.db2.gz RHLIWKXGNQVKHE-UHFFFAOYSA-N 0 0 348.424 1.893 20 70 EDIDRN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC1(CO)CC1 ZINC000160258554 206286557 /nfs/dbraw/zinc/28/65/57/206286557.db2.gz YKOJZNDMMRFGPX-SSDOTTSWSA-N 0 0 347.234 1.270 20 70 EDIDRN O=C(c1cccc(-n2ccnn2)c1)N1CCN(Cc2ccncc2)CC1 ZINC000160267237 206288169 /nfs/dbraw/zinc/28/81/69/206288169.db2.gz FOCNVRBOELKYFC-UHFFFAOYSA-N 0 0 348.410 1.620 20 70 EDIDRN Cc1ccc2cccc(NC(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)c2n1 ZINC000160237978 206286018 /nfs/dbraw/zinc/28/60/18/206286018.db2.gz OIAUEIARFDTBRT-JSGCOSHPSA-N 0 0 328.372 1.698 20 70 EDIDRN 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/nfs/dbraw/zinc/31/67/13/206316713.db2.gz HAPLXJZBZXINGK-UHFFFAOYSA-N 0 0 338.410 1.990 20 70 EDIDRN CC(C)C[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000160850364 206317309 /nfs/dbraw/zinc/31/73/09/206317309.db2.gz VPWDATKZSRYIFD-NWDGAFQWSA-N 0 0 346.424 1.016 20 70 EDIDRN COC[C@H](O)CNS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000160905213 206317515 /nfs/dbraw/zinc/31/75/15/206317515.db2.gz IZRMYRLZBIPYLU-SNVBAGLBSA-N 0 0 329.805 1.779 20 70 EDIDRN CCO[C@@H]1C[C@H](N(C)C(=O)NCCNC(=O)c2ccco2)C12CCC2 ZINC000160911234 206318165 /nfs/dbraw/zinc/31/81/65/206318165.db2.gz MGSDXBGNLXSJMY-LSDHHAIUSA-N 0 0 349.431 1.999 20 70 EDIDRN COCCCS(=O)(=O)NCC(=O)Nc1ccccc1C(C)C ZINC000160936775 206319842 /nfs/dbraw/zinc/31/98/42/206319842.db2.gz GEGDGNSLWMQFCS-UHFFFAOYSA-N 0 0 328.434 1.704 20 70 EDIDRN CC(C)C[C@H](CO)NC(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1 ZINC000160936386 206320231 /nfs/dbraw/zinc/32/02/31/206320231.db2.gz MTXQPDSVPZYXMI-TZMCWYRMSA-N 0 0 345.436 1.759 20 70 EDIDRN CC(C)CN1C(=O)C(=O)N(Cc2nnc(-c3ccccc3)n2C)C1=O ZINC000160987199 206322561 /nfs/dbraw/zinc/32/25/61/206322561.db2.gz ORQREHWUPNASSO-UHFFFAOYSA-N 0 0 341.371 1.429 20 70 EDIDRN CCOC(=O)c1ccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)o1 ZINC000161029346 206324341 /nfs/dbraw/zinc/32/43/41/206324341.db2.gz ZVZGKHALOVGZSW-CQSZACIVSA-N 0 0 336.388 1.280 20 70 EDIDRN C[C@@H](CCO)CNC(=O)CS(=O)(=O)CCCc1ccccc1 ZINC000161054079 206325533 /nfs/dbraw/zinc/32/55/33/206325533.db2.gz XTUMXNVJKBKGGT-AWEZNQCLSA-N 0 0 327.446 1.169 20 70 EDIDRN CC[C@@H](NC(=O)Cc1cc(F)c(F)cc1F)C(=O)N1CCOCC1 ZINC000161082336 206326484 /nfs/dbraw/zinc/32/64/84/206326484.db2.gz AAZRJPODOQWBIJ-CQSZACIVSA-N 0 0 344.333 1.400 20 70 EDIDRN CC[C@H](NC(=O)Cc1cc(F)c(F)cc1F)C(=O)N1CCOCC1 ZINC000161082212 206327020 /nfs/dbraw/zinc/32/70/20/206327020.db2.gz AAZRJPODOQWBIJ-AWEZNQCLSA-N 0 0 344.333 1.400 20 70 EDIDRN O=C(NCCN1C(=O)CSC1=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000161104905 206327921 /nfs/dbraw/zinc/32/79/21/206327921.db2.gz AZGIKZWGDWVJEB-UWVGGRQHSA-N 0 0 340.351 1.880 20 70 EDIDRN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N[C@@H](CO)CC(C)C)C2=O ZINC000161141193 206331239 /nfs/dbraw/zinc/33/12/39/206331239.db2.gz FNMMDNDBHKIMFT-QWHCGFSZSA-N 0 0 332.400 1.503 20 70 EDIDRN CCc1ncc(NC(=O)NCCc2nnc3n2CCCCC3)cn1 ZINC000161178461 206332606 /nfs/dbraw/zinc/33/26/06/206332606.db2.gz XDWCRIZOLIXJNU-UHFFFAOYSA-N 0 0 329.408 1.721 20 70 EDIDRN COc1cc(F)c(C(=O)NCCCN2CCOCC2)cc1OC ZINC000161188426 206334801 /nfs/dbraw/zinc/33/48/01/206334801.db2.gz HEUMAIHZLBYJES-UHFFFAOYSA-N 0 0 326.368 1.295 20 70 EDIDRN CC(C)C[C@@H](CO)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000161260573 206337316 /nfs/dbraw/zinc/33/73/16/206337316.db2.gz VKAIPIPUDLWEIT-HNNXBMFYSA-N 0 0 332.400 1.472 20 70 EDIDRN NC(=O)COc1ccc(/C=C/C(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000161262744 206337593 /nfs/dbraw/zinc/33/75/93/206337593.db2.gz GFAMZXMETZLVBK-ILNGBFOMSA-N 0 0 330.384 1.201 20 70 EDIDRN COC(=O)[C@](C)(NC(=O)c1cc2c(cc1F)NC(=O)CC2)C1CC1 ZINC000161293342 206340016 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WPJCPDGLTFJYLA-UHFFFAOYSA-N 0 0 336.440 1.760 20 70 EDIDRN C[C@H]1CN(C(C)(C)CNC(=O)NOCc2cccnc2)C[C@H](C)O1 ZINC000161037442 441948483 /nfs/dbraw/zinc/94/84/83/441948483.db2.gz QOQMDVIGOPPZLJ-KBPBESRZSA-N 0 0 336.436 1.700 20 70 EDIDRN NC(=O)[C@H]1CC[C@H](CNC(=O)c2c[nH]nc2-c2cccc(Cl)c2)O1 ZINC000161265902 441978583 /nfs/dbraw/zinc/97/85/83/441978583.db2.gz PBJQPASGVCRLHJ-DGCLKSJQSA-N 0 0 348.790 1.493 20 70 EDIDRN CCCN(CC1CC1)S(=O)(=O)NC[C@@H](O)Cc1ccccc1 ZINC000161060014 441951215 /nfs/dbraw/zinc/95/12/15/441951215.db2.gz NTVXQNANQHAYFT-INIZCTEOSA-N 0 0 326.462 1.546 20 70 EDIDRN COc1ccccc1N1CC[C@H](NC(=O)CCc2nc(C)no2)C1 ZINC000161090441 441955221 /nfs/dbraw/zinc/95/52/21/441955221.db2.gz BUUODBKYYMXHEQ-ZDUSSCGKSA-N 0 0 330.388 1.714 20 70 EDIDRN COc1c(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)c(C)nn1C ZINC000161105605 441957959 /nfs/dbraw/zinc/95/79/59/441957959.db2.gz YQKSXUJDCGRLRA-CYBMUJFWSA-N 0 0 344.415 1.754 20 70 EDIDRN C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000161111352 441958869 /nfs/dbraw/zinc/95/88/69/441958869.db2.gz COXPQEJWGVNFLI-BPLDGKMQSA-N 0 0 338.473 1.558 20 70 EDIDRN NC(=O)c1ccc(/C=C/C(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000161375204 441992742 /nfs/dbraw/zinc/99/27/42/441992742.db2.gz OCZOGUWATUMVDH-JZLODUJNSA-N 0 0 337.379 1.874 20 70 EDIDRN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC(O)C2)cc1 ZINC000161402143 441996225 /nfs/dbraw/zinc/99/62/25/441996225.db2.gz QCZCJYQQGSVXEP-UHFFFAOYSA-N 0 0 346.408 1.613 20 70 EDIDRN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)C[C@H]1CCC[C@@H]1O)CC2 ZINC000161409144 441996451 /nfs/dbraw/zinc/99/64/51/441996451.db2.gz PXZNXPMSJZHZQH-MCIONIFRSA-N 0 0 335.452 1.519 20 70 EDIDRN Cc1ccc2cccc(NC(=O)N3CCN(C(=O)[C@@H](C)O)CC3)c2n1 ZINC000161419050 441998225 /nfs/dbraw/zinc/99/82/25/441998225.db2.gz VOQDQZDIUUBVRM-CYBMUJFWSA-N 0 0 342.399 1.600 20 70 EDIDRN CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2c(C)cccc2CC)C1 ZINC000161435439 441999237 /nfs/dbraw/zinc/99/92/37/441999237.db2.gz DLAIEMNWVJGGTD-CQSZACIVSA-N 0 0 331.416 1.623 20 70 EDIDRN CC(C)(C)n1nc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1C1CC1 ZINC000161291457 441982445 /nfs/dbraw/zinc/98/24/45/441982445.db2.gz LCTZTAQBKMQUJF-RISCZKNCSA-N 0 0 334.420 1.278 20 70 EDIDRN NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2cc(-c3cccc(Cl)c3)no2)O1 ZINC000161319635 441985146 /nfs/dbraw/zinc/98/51/46/441985146.db2.gz WGUMHANLTIJNLZ-AAEUAGOBSA-N 0 0 349.774 1.758 20 70 EDIDRN Cc1ccccc1-c1cc(NC(=O)C[C@@H]2COC(=O)C2)n(CCO)n1 ZINC000161482035 442004060 /nfs/dbraw/zinc/00/40/60/442004060.db2.gz SLSJVWDWXDEEPR-ZDUSSCGKSA-N 0 0 343.383 1.743 20 70 EDIDRN COc1cc(N)c(Cl)cc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000161482615 442004278 /nfs/dbraw/zinc/00/42/78/442004278.db2.gz SBINLOCQAQEKSO-UHFFFAOYSA-N 0 0 346.836 1.580 20 70 EDIDRN O=C(NCCSCCCO)c1ccn(-c2c(F)cccc2F)n1 ZINC000161508930 442007102 /nfs/dbraw/zinc/00/71/02/442007102.db2.gz AHMNEHYGAVZTNA-UHFFFAOYSA-N 0 0 341.383 1.996 20 70 EDIDRN Cc1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c[nH]c1=O ZINC000159696773 318420596 /nfs/dbraw/zinc/42/05/96/318420596.db2.gz NOCFBVUBVRYKRP-WCFLWFBJSA-N 0 0 331.372 1.186 20 70 EDIDRN Cc1nc(NC(=O)CCn2nc3ccccn3c2=O)cc(C2CC2)n1 ZINC000159893762 318421389 /nfs/dbraw/zinc/42/13/89/318421389.db2.gz MHAUBVJTDZOWDJ-UHFFFAOYSA-N 0 0 338.371 1.501 20 70 EDIDRN O=C(NCc1ncc[nH]1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159860547 318421507 /nfs/dbraw/zinc/42/15/07/318421507.db2.gz BKKCFSLQJVLGSF-UHFFFAOYSA-N 0 0 347.172 1.944 20 70 EDIDRN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000160589247 534233892 /nfs/dbraw/zinc/23/38/92/534233892.db2.gz GUKXHAAPZOOOJO-JSGCOSHPSA-N 0 0 342.399 1.558 20 70 EDIDRN C[C@@H](Cn1cncn1)NC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000160858496 534274292 /nfs/dbraw/zinc/27/42/92/534274292.db2.gz XNNZDNKJBDNWTO-VIFPVBQESA-N 0 0 329.282 1.433 20 70 EDIDRN O=C(CCCNC(=O)c1cccnc1)NC[C@@H](CO)c1ccccc1 ZINC000160076615 534353441 /nfs/dbraw/zinc/35/34/41/534353441.db2.gz INSZNCJNZIXAHY-KRWDZBQOSA-N 0 0 341.411 1.484 20 70 EDIDRN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C4(NC(N)=O)CC4)C3)nc2c1 ZINC000159643417 534359790 /nfs/dbraw/zinc/35/97/90/534359790.db2.gz DPRBVZSFLSSBDJ-GFCCVEGCSA-N 0 0 341.415 1.778 20 70 EDIDRN Cc1noc([C@@H]2CCCN(C(=O)NCCCC(=O)OC(C)C)C2)n1 ZINC000160038386 534446035 /nfs/dbraw/zinc/44/60/35/534446035.db2.gz LTWHPZXSFPWFFU-CYBMUJFWSA-N 0 0 338.408 1.999 20 70 EDIDRN Cc1cnc([C@H](C)CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)s1 ZINC000159664682 534634492 /nfs/dbraw/zinc/63/44/92/534634492.db2.gz HCFBVPPFVQYPTL-MWLCHTKSSA-N 0 0 331.463 1.384 20 70 EDIDRN O=C(NCc1cccnc1-n1ccnc1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000159600978 534685855 /nfs/dbraw/zinc/68/58/55/534685855.db2.gz NDLSZZUGGTWBQU-CQSZACIVSA-N 0 0 337.387 1.347 20 70 EDIDRN Cc1cccc([C@H](C)C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1 ZINC000160414831 534759991 /nfs/dbraw/zinc/75/99/91/534759991.db2.gz ARSIQSGACFOJOB-IMJJTQAJSA-N 0 0 338.473 1.933 20 70 EDIDRN CC(C)(C)C(=O)NCc1ccc(C(=O)N2CCCC[C@H]2C(N)=O)cc1 ZINC000160165842 527600546 /nfs/dbraw/zinc/60/05/46/527600546.db2.gz GIESCJMGMKXEMI-HNNXBMFYSA-N 0 0 345.443 1.829 20 70 EDIDRN CC(C)CN(CC(N)=O)C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000159683151 527935312 /nfs/dbraw/zinc/93/53/12/527935312.db2.gz RCMVLBCWRNYTGT-CYBMUJFWSA-N 0 0 325.453 1.241 20 70 EDIDRN CC(C)c1cccc(NC(=O)C(=O)NC[C@@]2(CCO)CCOC2)c1 ZINC000160911749 528175399 /nfs/dbraw/zinc/17/53/99/528175399.db2.gz CYNSVHDSIZWWSU-GOSISDBHSA-N 0 0 334.416 1.654 20 70 EDIDRN CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)COC ZINC000160197711 528435581 /nfs/dbraw/zinc/43/55/81/528435581.db2.gz RXKMBPLTJDWLBH-UHFFFAOYSA-N 0 0 340.323 1.997 20 70 EDIDRN CC(C)n1nccc1C(=O)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000160357604 528673477 /nfs/dbraw/zinc/67/34/77/528673477.db2.gz HXZQBMFABQBSHE-NSHDSACASA-N 0 0 339.342 1.912 20 70 EDIDRN CCCS(=O)(=O)CCN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159570453 528800445 /nfs/dbraw/zinc/80/04/45/528800445.db2.gz USBUEOQHMCKQTG-KGLIPLIRSA-N 0 0 331.434 1.229 20 70 EDIDRN CCCn1c(C)nnc1CN1C(=O)N[C@](C)(c2cccnc2)C1=O ZINC000161402905 528813728 /nfs/dbraw/zinc/81/37/28/528813728.db2.gz XRJQTKVHZQCFLO-MRXNPFEDSA-N 0 0 328.376 1.359 20 70 EDIDRN CCOCCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000161109549 528820855 /nfs/dbraw/zinc/82/08/55/528820855.db2.gz LURMONMTERROCS-GJZGRUSLSA-N 0 0 336.432 1.832 20 70 EDIDRN CC(C)[C@H](Cc1ccccc1)C(=O)NCCC(=O)N1CCOCC1 ZINC000159490605 529031947 /nfs/dbraw/zinc/03/19/47/529031947.db2.gz STGGGQCRDJTJNA-KRWDZBQOSA-N 0 0 332.444 1.866 20 70 EDIDRN CCSc1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)cn1 ZINC000160148717 529241683 /nfs/dbraw/zinc/24/16/83/529241683.db2.gz ZRTXEBKLIFTHGE-UHFFFAOYSA-N 0 0 328.459 1.843 20 70 EDIDRN CCOC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000217285507 535601244 /nfs/dbraw/zinc/60/12/44/535601244.db2.gz UUHYGIBVCUULSO-ZDUSSCGKSA-N 0 0 339.436 1.371 20 70 EDIDRN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC1CC=CC1 ZINC000160969697 539484445 /nfs/dbraw/zinc/48/44/45/539484445.db2.gz MLGRKWZPZZTSHV-QGZVFWFLSA-N 0 0 339.395 1.297 20 70 EDIDRN COc1cccc(CNC(=O)N2CCN(Cc3ccccn3)CC2)n1 ZINC000159850550 540015235 /nfs/dbraw/zinc/01/52/35/540015235.db2.gz GFVSTCSBBMBYIQ-UHFFFAOYSA-N 0 0 341.415 1.513 20 70 EDIDRN C[C@@]1(O)CCCN(C(=O)NCCc2ccc(-n3cccn3)cc2)C1 ZINC000160088308 540019607 /nfs/dbraw/zinc/01/96/07/540019607.db2.gz JDLXWKBUPFYZEQ-GOSISDBHSA-N 0 0 328.416 1.971 20 70 EDIDRN Cc1oc(C)c(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1C ZINC000160719832 540025329 /nfs/dbraw/zinc/02/53/29/540025329.db2.gz CCWDHAIWNYYXCL-STQMWFEESA-N 0 0 328.434 1.653 20 70 EDIDRN Cc1ccc(C(=O)NCCNC(=O)N2CCC([C@H](C)O)CC2)cc1 ZINC000159571362 138637425 /nfs/dbraw/zinc/63/74/25/138637425.db2.gz BRUOIXZXZPFWJZ-AWEZNQCLSA-N 0 0 333.432 1.527 20 70 EDIDRN O=C(NCCOCC(F)(F)F)c1cccc(C(=O)N2CCCC2)n1 ZINC000159726329 138638058 /nfs/dbraw/zinc/63/80/58/138638058.db2.gz WVVCLGPIVPFYRC-UHFFFAOYSA-N 0 0 345.321 1.626 20 70 EDIDRN CO[C@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1 ZINC000160254265 138639898 /nfs/dbraw/zinc/63/98/98/138639898.db2.gz SIYUJZPGPKTZIS-UONOGXRCSA-N 0 0 344.408 1.390 20 70 EDIDRN CC(=O)NCc1ccc(S(=O)(=O)N(C)[C@H]2CCSC2)s1 ZINC000159407586 206243799 /nfs/dbraw/zinc/24/37/99/206243799.db2.gz KHKRGSYJSFNKOP-JTQLQIEISA-N 0 0 334.488 1.510 20 70 EDIDRN COc1cccc(CN2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1 ZINC000159437075 206245346 /nfs/dbraw/zinc/24/53/46/206245346.db2.gz BHSZDKPJWUQCQA-UHFFFAOYSA-N 0 0 327.384 1.342 20 70 EDIDRN Cc1ccc([C@H](O)CNS(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000159387802 206242990 /nfs/dbraw/zinc/24/29/90/206242990.db2.gz FQQGLOJIHRUZFS-MRXNPFEDSA-N 0 0 333.409 1.942 20 70 EDIDRN NC(=O)[C@@H]1CCCCN1C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000159618352 206255192 /nfs/dbraw/zinc/25/51/92/206255192.db2.gz NHPWSKNPNWPTNZ-JTQLQIEISA-N 0 0 331.294 1.503 20 70 EDIDRN CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2)C1 ZINC000159654412 206257111 /nfs/dbraw/zinc/25/71/11/206257111.db2.gz JQSWSGZEFLNVTJ-AWEZNQCLSA-N 0 0 340.807 1.933 20 70 EDIDRN CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000159672354 206257668 /nfs/dbraw/zinc/25/76/68/206257668.db2.gz XGOSMWYWOKXUAO-INIZCTEOSA-N 0 0 334.416 1.896 20 70 EDIDRN C[C@](O)(CNC(=O)CCCNC(=O)c1cccnc1)c1ccco1 ZINC000159713143 206258968 /nfs/dbraw/zinc/25/89/68/206258968.db2.gz KHDVZKFQIKTCOS-KRWDZBQOSA-N 0 0 331.372 1.209 20 70 EDIDRN CCOC(=O)CN(CC(N)=O)[C@@H](C)c1cccc(Br)c1 ZINC000159583192 206253706 /nfs/dbraw/zinc/25/37/06/206253706.db2.gz SHLRPDBBHRXTTI-JTQLQIEISA-N 0 0 343.221 1.861 20 70 EDIDRN Cc1cc(C)n(CCCNC(=O)N2CCCN(CC(F)F)CC2)n1 ZINC000159752912 206261283 /nfs/dbraw/zinc/26/12/83/206261283.db2.gz KXKAJKSPIDIPIW-UHFFFAOYSA-N 0 0 343.422 1.872 20 70 EDIDRN CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000159787956 206264293 /nfs/dbraw/zinc/26/42/93/206264293.db2.gz PVSZZAYMDVTNHC-ZDUSSCGKSA-N 0 0 341.770 1.179 20 70 EDIDRN COC(=O)C[C@H]1C(=O)NCCN1Cc1cnc(C(C)(C)C)s1 ZINC000159828934 206265431 /nfs/dbraw/zinc/26/54/31/206265431.db2.gz LJCSNGMTXCGWMW-NSHDSACASA-N 0 0 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331.372 1.650 20 70 EDIDRN CCCCN(C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000159805498 528331508 /nfs/dbraw/zinc/33/15/08/528331508.db2.gz LBGOTKILMOEZSE-UHFFFAOYSA-N 0 0 333.479 1.810 20 70 EDIDRN CCCCN1CCc2ccc(NC(=O)CS(=O)(=O)NC)cc21 ZINC000160939165 528486530 /nfs/dbraw/zinc/48/65/30/528486530.db2.gz VYWZQJPFPNDGKW-UHFFFAOYSA-N 0 0 325.434 1.337 20 70 EDIDRN CCOC(=O)C1CCN(C(=O)[C@@H](C)N(C)Cc2cnn(C)c2)CC1 ZINC000161056184 528638940 /nfs/dbraw/zinc/63/89/40/528638940.db2.gz UVZLZLHREYMNKH-CYBMUJFWSA-N 0 0 336.436 1.042 20 70 EDIDRN CCOC(=O)C[C@@H](C)NC(=O)CCn1cnc2sccc2c1=O ZINC000160337122 528867422 /nfs/dbraw/zinc/86/74/22/528867422.db2.gz YGPGCFOQVTUQKD-SNVBAGLBSA-N 0 0 337.401 1.306 20 70 EDIDRN CC1(C)CN(C(=O)Cc2ccc(-n3cccn3)cc2)CCS1(=O)=O ZINC000160051044 529079153 /nfs/dbraw/zinc/07/91/53/529079153.db2.gz FIJXZOZSRKQWKW-UHFFFAOYSA-N 0 0 347.440 1.450 20 70 EDIDRN CC(C)[C@H](NC(=O)C[C@H]1COC(=O)C1)c1nc(-c2cccnc2)no1 ZINC000160352006 529084977 /nfs/dbraw/zinc/08/49/77/529084977.db2.gz 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206291314 /nfs/dbraw/zinc/29/13/14/206291314.db2.gz MZTLSXQGHGSDBY-UHFFFAOYSA-N 0 0 335.326 1.674 20 70 EDIDRN COCc1cccc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1 ZINC000160390677 206294293 /nfs/dbraw/zinc/29/42/93/206294293.db2.gz ODFWOMWELPLHKR-CABCVRRESA-N 0 0 340.445 1.281 20 70 EDIDRN C[C@@H](CNS(=O)(=O)c1ccc(F)cc1F)CN1CCOCC1 ZINC000160412308 206295328 /nfs/dbraw/zinc/29/53/28/206295328.db2.gz MYYRMDUWJWGGIE-NSHDSACASA-N 0 0 334.388 1.211 20 70 EDIDRN C[C@@H](CNS(=O)(=O)c1ccccc1Cl)CN1CCOCC1 ZINC000160406138 206296017 /nfs/dbraw/zinc/29/60/17/206296017.db2.gz GOCFLZCTBWWSAL-LBPRGKRZSA-N 0 0 332.853 1.587 20 70 EDIDRN CCc1noc(C)c1CS(=O)(=O)c1nnc(N(C)C)n1C(C)C ZINC000160380358 206294671 /nfs/dbraw/zinc/29/46/71/206294671.db2.gz PKGSMNFGRYNBDP-UHFFFAOYSA-N 0 0 341.437 1.758 20 70 EDIDRN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)COc1ccccc1F ZINC000160386916 206294876 /nfs/dbraw/zinc/29/48/76/206294876.db2.gz OXDWPGCGZBJVFC-YPMHNXCESA-N 0 0 344.408 1.039 20 70 EDIDRN 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ZINC000161054195 206324820 /nfs/dbraw/zinc/32/48/20/206324820.db2.gz XTUMXNVJKBKGGT-CQSZACIVSA-N 0 0 327.446 1.169 20 70 EDIDRN CCOC(=O)CNC(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F ZINC000161063726 206326822 /nfs/dbraw/zinc/32/68/22/206326822.db2.gz BETDZYNJROMFND-CYBMUJFWSA-N 0 0 328.315 1.211 20 70 EDIDRN CCOC(=O)CNC(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F ZINC000161063607 206326994 /nfs/dbraw/zinc/32/69/94/206326994.db2.gz BETDZYNJROMFND-ZDUSSCGKSA-N 0 0 328.315 1.211 20 70 EDIDRN Cc1c(NC(=O)C(=O)N(C)[C@@H]2CCOC2)cnn1-c1ccccc1 ZINC000161107452 206328413 /nfs/dbraw/zinc/32/84/13/206328413.db2.gz RXHIGZZHNWTZAV-CQSZACIVSA-N 0 0 328.372 1.367 20 70 EDIDRN Cn1cc(S(=O)(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)cn1 ZINC000160589214 206304451 /nfs/dbraw/zinc/30/44/51/206304451.db2.gz SOGARSHQNDPREC-LLVKDONJSA-N 0 0 341.820 1.916 20 70 EDIDRN CC[C@@H](NC(=O)c1coc(S(=O)(=O)NC)c1)c1c(C)noc1C ZINC000160577877 206304756 /nfs/dbraw/zinc/30/47/56/206304756.db2.gz DOEKGHMGRQMANK-LLVKDONJSA-N 0 0 341.389 1.674 20 70 EDIDRN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)/C=C/c1c(F)cccc1F ZINC000160598607 206305918 /nfs/dbraw/zinc/30/59/18/206305918.db2.gz GQRMPDXLNBDMCV-WSKFYRRCSA-N 0 0 344.383 1.518 20 70 EDIDRN CC[C@H](C)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000161177286 206333064 /nfs/dbraw/zinc/33/30/64/206333064.db2.gz QGCAHLHXGHXOSG-VHSXEESVSA-N 0 0 348.852 1.917 20 70 EDIDRN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(Cc2ccncc2)CC1 ZINC000161231829 206336366 /nfs/dbraw/zinc/33/63/66/206336366.db2.gz FAYVCUAMSQVTDE-CQSZACIVSA-N 0 0 347.463 1.212 20 70 EDIDRN Cc1cc(C[C@@H](C)NC(=O)CCN2C(=O)COc3ccccc32)[nH]n1 ZINC000161248171 206337900 /nfs/dbraw/zinc/33/79/00/206337900.db2.gz FCMGNCCAXKOWLV-GFCCVEGCSA-N 0 0 342.399 1.581 20 70 EDIDRN Cc1nc(CC(C)C)c(NC(=O)C(=O)NCCCn2cccn2)s1 ZINC000161332922 206341272 /nfs/dbraw/zinc/34/12/72/206341272.db2.gz LOSAEBSSAFBGQS-UHFFFAOYSA-N 0 0 349.460 1.992 20 70 EDIDRN CCCNC(=O)c1ccc(N[C@H]2CCc3nc(COC)nn3C2)nc1 ZINC000161333843 206341898 /nfs/dbraw/zinc/34/18/98/206341898.db2.gz 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