smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(NC(=O)c2cccc(C(F)(F)F)c2F)CCC1 ZINC000159943493 261199271 /nfs/dbraw/zinc/19/92/71/261199271.db2.gz ZCAOQHHXQPLISP-UHFFFAOYSA-N 0 0 275.245 3.517 20 70 CHIDRN Cn1nccc1CSCc1ccc(Cl)cc1 ZINC000161202707 261240302 /nfs/dbraw/zinc/24/03/02/261240302.db2.gz SVIBJPBTUJPUSP-UHFFFAOYSA-N 0 0 252.770 3.507 20 70 CHIDRN COCCOc1cccc(NCc2cc(F)cc(F)c2)c1 ZINC000160607256 260044535 /nfs/dbraw/zinc/04/45/35/260044535.db2.gz CGBWXDXLCWCBRP-UHFFFAOYSA-N 0 0 293.313 3.602 20 70 CHIDRN CCC(CC)NC(=O)Nc1ccc(Br)cc1 ZINC000217304895 260098337 /nfs/dbraw/zinc/09/83/37/260098337.db2.gz PKUYGMSDGGKCKX-UHFFFAOYSA-N 0 0 285.185 3.759 20 70 CHIDRN CC(C)(C)C1=CCN(C(=O)NC2CCCCC2)CC1 ZINC000160801105 260129167 /nfs/dbraw/zinc/12/91/67/260129167.db2.gz QVAMHTNOIGDGOR-UHFFFAOYSA-N 0 0 264.413 3.707 20 70 CHIDRN CCC1CCC(N(C)C(=O)NCc2ccccc2)CC1 ZINC000217401348 260746935 /nfs/dbraw/zinc/74/69/35/260746935.db2.gz LCAKERQRTRPYLW-UHFFFAOYSA-N 0 0 274.408 3.797 20 70 CHIDRN CCCCn1ncc(NC(=O)N[C@@H]2CCC[C@@H](C)C2)c1C ZINC000159707150 260925304 /nfs/dbraw/zinc/92/53/04/260925304.db2.gz ARTBYKPNFAOHMC-TZMCWYRMSA-N 0 0 292.427 3.692 20 70 CHIDRN COc1cccc([C@H](C)NC(=O)c2cccc(C)c2F)c1 ZINC000161439189 260972925 /nfs/dbraw/zinc/97/29/25/260972925.db2.gz VQWVBPKVNNMIJF-LBPRGKRZSA-N 0 0 287.334 3.634 20 70 CHIDRN CCCOc1cccc(NCc2c(C)onc2CC)c1 ZINC000159387064 261185262 /nfs/dbraw/zinc/18/52/62/261185262.db2.gz MJDDJSBCBDCMOD-UHFFFAOYSA-N 0 0 274.364 3.946 20 70 CHIDRN CCOCCC1(CNC(=O)c2ccc(Cl)c(C)c2)CC1 ZINC000159471568 261186944 /nfs/dbraw/zinc/18/69/44/261186944.db2.gz LBFHFFSPDJUICC-UHFFFAOYSA-N 0 0 295.810 3.585 20 70 CHIDRN CCOCCCC(=O)N1C[C@H](C)CSc2ccccc21 ZINC000159576882 261188859 /nfs/dbraw/zinc/18/88/59/261188859.db2.gz NRJWCOKBZRNNJW-ZDUSSCGKSA-N 0 0 293.432 3.578 20 70 CHIDRN CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)c1cccs1 ZINC000159667836 261190774 /nfs/dbraw/zinc/19/07/74/261190774.db2.gz SKRKJLRIULBKPE-QJPTWQEYSA-N 0 0 251.395 3.547 20 70 CHIDRN Cc1ccc(C(=O)N2C[C@@H](C)CSc3ccccc32)cn1 ZINC000159704978 261192118 /nfs/dbraw/zinc/19/21/18/261192118.db2.gz DNYPWUDPUXWCQK-GFCCVEGCSA-N 0 0 298.411 3.779 20 70 CHIDRN CCc1noc(C)c1CSCc1nc(C(C)(C)C)no1 ZINC000159717367 261192565 /nfs/dbraw/zinc/19/25/65/261192565.db2.gz KFEXRJKPEKEIOV-UHFFFAOYSA-N 0 0 295.408 3.659 20 70 CHIDRN CCCN(C)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000159780470 261193867 /nfs/dbraw/zinc/19/38/67/261193867.db2.gz JBJRFCXTBAJIDI-NSHDSACASA-N 0 0 293.798 3.717 20 70 CHIDRN CC[C@H]1CN(C(=O)CC/C=C/c2ccccc2)C[C@H](C)O1 ZINC000159772625 261194160 /nfs/dbraw/zinc/19/41/60/261194160.db2.gz OQBLSPYPYIXLSZ-WAWSXARKSA-N 0 0 287.403 3.506 20 70 CHIDRN CCC[C@@H](C(=O)N[C@H](C)Cc1ccc(O)cc1)C(C)C ZINC000159834117 261195156 /nfs/dbraw/zinc/19/51/56/261195156.db2.gz HNIRTKIJQIVYSZ-CZUORRHYSA-N 0 0 277.408 3.512 20 70 CHIDRN CC(C)CCC(=O)O[C@@H](c1ccccn1)C(F)(F)F ZINC000159875378 261196620 /nfs/dbraw/zinc/19/66/20/261196620.db2.gz RVBCIXOCJDZSTF-LBPRGKRZSA-N 0 0 275.270 3.664 20 70 CHIDRN CCC(C)(C)NC(=O)[C@H](Sc1ccncc1)C(C)C ZINC000159944969 261199279 /nfs/dbraw/zinc/19/92/79/261199279.db2.gz GSGROQJLJXIVTF-CYBMUJFWSA-N 0 0 280.437 3.503 20 70 CHIDRN CS[C@@H](C)CC(=O)Nc1ccc(OC(C)C)cc1 ZINC000159956569 261200194 /nfs/dbraw/zinc/20/01/94/261200194.db2.gz SFEVLYKWXVDTPB-NSHDSACASA-N 0 0 267.394 3.554 20 70 CHIDRN Cc1cncc(/C=C/C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000159990278 261200803 /nfs/dbraw/zinc/20/08/03/261200803.db2.gz VKKIYXDTIIPREB-LJFOUZCWSA-N 0 0 284.403 3.584 20 70 CHIDRN Cc1cncc(/C=C/C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000159990506 261200812 /nfs/dbraw/zinc/20/08/12/261200812.db2.gz VKKIYXDTIIPREB-PIIXRYACSA-N 0 0 284.403 3.584 20 70 CHIDRN CC(C)(C)CC(=O)O[C@H](c1ccccn1)C(F)(F)F ZINC000160111120 261205246 /nfs/dbraw/zinc/20/52/46/261205246.db2.gz IXNCDXBKIWIRTH-LLVKDONJSA-N 0 0 275.270 3.664 20 70 CHIDRN Cc1ccsc1C(=O)N[C@@H]1CCCc2sccc21 ZINC000160130011 261205682 /nfs/dbraw/zinc/20/56/82/261205682.db2.gz VTJVKJMNSODDQW-LLVKDONJSA-N 0 0 277.414 3.925 20 70 CHIDRN O=C(C[C@H]1C=CCC1)O[C@@H](c1ccccn1)C(F)(F)F ZINC000160135014 261205853 /nfs/dbraw/zinc/20/58/53/261205853.db2.gz CPPGYPGOWRENTI-GWCFXTLKSA-N 0 0 285.265 3.585 20 70 CHIDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(C)ccc1O ZINC000160336852 261211590 /nfs/dbraw/zinc/21/15/90/261211590.db2.gz YCIIMPSCTYCNND-VXGBXAGGSA-N 0 0 287.384 3.813 20 70 CHIDRN CS[C@@H](C)CC(=O)Nc1cccc(-c2nccs2)c1 ZINC000160424199 261214216 /nfs/dbraw/zinc/21/42/16/261214216.db2.gz JWUWUMNTTFGZGQ-JTQLQIEISA-N 0 0 292.429 3.890 20 70 CHIDRN CC(C)(C)c1cnc([S@](=O)Cc2ccc(F)cc2)s1 ZINC000160456119 261214247 /nfs/dbraw/zinc/21/42/47/261214247.db2.gz HJHWJIFHWONVPL-IBGZPJMESA-N 0 0 297.420 3.888 20 70 CHIDRN CC[C@H](C)C[S@@](=O)c1ncc(C(C)(C)C)s1 ZINC000160454481 261214629 /nfs/dbraw/zinc/21/46/29/261214629.db2.gz GTMQWZRPHAVBFH-FVMDXXJSSA-N 0 0 259.440 3.594 20 70 CHIDRN Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)s1 ZINC000160469218 261214993 /nfs/dbraw/zinc/21/49/93/261214993.db2.gz CDPLBKRZNGAVAF-CYBMUJFWSA-N 0 0 293.432 3.668 20 70 CHIDRN Cc1nc(C)c(CNC(=O)c2ccc(Cl)cc2C)s1 ZINC000160554328 261217897 /nfs/dbraw/zinc/21/78/97/261217897.db2.gz FQIWROJHOUHLRT-UHFFFAOYSA-N 0 0 294.807 3.652 20 70 CHIDRN CC[C@@H](C)CN(CC)C(=O)c1ccc(Cl)nc1C ZINC000160598415 261219585 /nfs/dbraw/zinc/21/95/85/261219585.db2.gz RIWWKUKISIEBBF-SNVBAGLBSA-N 0 0 268.788 3.552 20 70 CHIDRN CCc1cc(N[C@H]2CCO[C@@H](c3ccccc3)C2)nc(C)n1 ZINC000160608215 261219977 /nfs/dbraw/zinc/21/99/77/261219977.db2.gz WXYMEMDLKOTDST-DLBZAZTESA-N 0 0 297.402 3.680 20 70 CHIDRN C[C@H](C(=O)NC1CCCCC1)c1c(F)cccc1F ZINC000160626338 261220553 /nfs/dbraw/zinc/22/05/53/261220553.db2.gz IGSNSEADKFGYIG-JTQLQIEISA-N 0 0 267.319 3.517 20 70 CHIDRN CS[C@H](C)CC(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000160979985 261233326 /nfs/dbraw/zinc/23/33/26/261233326.db2.gz NPYLQNQFTQQCOC-NOZJJQNGSA-N 0 0 283.824 3.585 20 70 CHIDRN COCc1ccc([C@H]2CCCN2C(=O)c2cccc(C)c2)o1 ZINC000161216837 261241192 /nfs/dbraw/zinc/24/11/92/261241192.db2.gz AQJQTQCRESJCLI-MRXNPFEDSA-N 0 0 299.370 3.712 20 70 CHIDRN CC(C)(C)CCCC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161313514 261243404 /nfs/dbraw/zinc/24/34/04/261243404.db2.gz AIFQVFHFIWQSKU-ZDUSSCGKSA-N 0 0 295.448 3.864 20 70 CHIDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000161344430 261244066 /nfs/dbraw/zinc/24/40/66/261244066.db2.gz PIZWFCCRVNXKPE-TUKIKUTGSA-N 0 0 289.444 3.950 20 70 CHIDRN CCc1cccc(NC(=O)c2cccc(C)c2F)c1 ZINC000161393405 261246123 /nfs/dbraw/zinc/24/61/23/261246123.db2.gz KGOWQPREXVDVMR-UHFFFAOYSA-N 0 0 257.308 3.949 20 70 CHIDRN CCc1onc(C)c1NC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000161422262 261246839 /nfs/dbraw/zinc/24/68/39/261246839.db2.gz ZIIDGRPJOXLWII-ZDUSSCGKSA-N 0 0 290.338 3.817 20 70 CHIDRN Fc1cccc(Cl)c1Cn1nc(C2CC2)nc1C1CC1 ZINC000161461653 261247534 /nfs/dbraw/zinc/24/75/34/261247534.db2.gz KIEAXDRFVISMRT-UHFFFAOYSA-N 0 0 291.757 3.874 20 70 CHIDRN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc[nH]2)C1 ZINC000160308316 261312582 /nfs/dbraw/zinc/31/25/82/261312582.db2.gz CNACSGPDXRWGJA-VNHYZAJKSA-N 0 0 260.381 3.505 20 70 CHIDRN CC(C)c1cccc(O[C@H](C)C(=O)N2CCCC2(C)C)c1 ZINC000216788777 262369857 /nfs/dbraw/zinc/36/98/57/262369857.db2.gz VOBYXOBAWRUQJW-CQSZACIVSA-N 0 0 289.419 3.978 20 70 CHIDRN CCCCn1ncc(NC(=O)NC2CCCCCC2)c1C ZINC000160203039 264236822 /nfs/dbraw/zinc/23/68/22/264236822.db2.gz XQOPXOGZRGJRHX-UHFFFAOYSA-N 0 0 292.427 3.836 20 70 CHIDRN Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)no1 ZINC000160343374 264242204 /nfs/dbraw/zinc/24/22/04/264242204.db2.gz OTALIDUBQWGNQM-YNEHKIRRSA-N 0 0 262.353 3.528 20 70 CHIDRN CC(C)c1nccc(N[C@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000160583188 264251155 /nfs/dbraw/zinc/25/11/55/264251155.db2.gz ZKOUTGYFBRCARG-JKSUJKDBSA-N 0 0 297.402 3.932 20 70 CHIDRN CC(C)c1noc(N[C@H]2CCCc3sccc32)n1 ZINC000161054447 264264917 /nfs/dbraw/zinc/26/49/17/264264917.db2.gz RWCVTRUULFGUGO-JTQLQIEISA-N 0 0 263.366 3.744 20 70 CHIDRN CCc1ccc([C@@H](CO)Nc2nc3ccccc3o2)cc1 ZINC000160926289 264267799 /nfs/dbraw/zinc/26/77/99/264267799.db2.gz YKDRSCRIJGAEFC-OAHLLOKOSA-N 0 0 282.343 3.536 20 70 CHIDRN CSc1ccccc1NC(=O)c1cccc(C)c1O ZINC000218307241 265133074 /nfs/dbraw/zinc/13/30/74/265133074.db2.gz IWSILPNRKHIVCB-UHFFFAOYSA-N 0 0 273.357 3.675 20 70 CHIDRN Cc1cscc1C(=O)N[C@@H]1CCCc2sccc21 ZINC000160122293 327656718 /nfs/dbraw/zinc/65/67/18/327656718.db2.gz SBASTSSZEUBXGB-GFCCVEGCSA-N 0 0 277.414 3.925 20 70 CHIDRN Cc1cscc1C(=O)N[C@H]1CCCc2sccc21 ZINC000160122442 327656732 /nfs/dbraw/zinc/65/67/32/327656732.db2.gz SBASTSSZEUBXGB-LBPRGKRZSA-N 0 0 277.414 3.925 20 70 CHIDRN Cn1ccnc1CNC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000161451524 327679423 /nfs/dbraw/zinc/67/94/23/327679423.db2.gz SSTPGBLPKVDLHG-UHFFFAOYSA-N 0 0 298.217 3.752 20 70 CHIDRN CC[C@@H](Nc1ccc(C(N)=O)cc1)c1ccc(F)cc1F ZINC000160654052 327682180 /nfs/dbraw/zinc/68/21/80/327682180.db2.gz ZPZXDDNVWZRDPI-OAHLLOKOSA-N 0 0 290.313 3.627 20 70 CHIDRN CCCCN(C)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160347183 327888711 /nfs/dbraw/zinc/88/87/11/327888711.db2.gz YZPZABUJUINMPL-UHFFFAOYSA-N 0 0 297.402 3.690 20 70 CHIDRN COC(C)(C)C[C@@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC000160707371 327976654 /nfs/dbraw/zinc/97/66/54/327976654.db2.gz ONCMHDPRAPTBNC-GFCCVEGCSA-N 0 0 269.429 3.523 20 70 CHIDRN CC[C@@H]1CCCN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC000160793017 328086402 /nfs/dbraw/zinc/08/64/02/328086402.db2.gz FQCPJFWKITYPCJ-SWLSCSKDSA-N 0 0 291.439 3.559 20 70 CHIDRN CS[C@@H](C)CC(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000160804096 328086739 /nfs/dbraw/zinc/08/67/39/328086739.db2.gz QCIHJWCYHZXMER-JOYOIKCWSA-N 0 0 291.338 3.548 20 70 CHIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1ccsc1 ZINC000160771916 328084886 /nfs/dbraw/zinc/08/48/86/328084886.db2.gz SMWUSBRIHBSMDK-ZIAGYGMSSA-N 0 0 265.422 3.718 20 70 CHIDRN CC(C)n1cccc1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000160782927 328085173 /nfs/dbraw/zinc/08/51/73/328085173.db2.gz BGCOGCVMBDAZAO-UHFFFAOYSA-N 0 0 290.794 3.995 20 70 CHIDRN CN(Cc1cnn(C(C)(C)C)c1)Cc1ccc(Cl)cc1 ZINC000160814381 328087609 /nfs/dbraw/zinc/08/76/09/328087609.db2.gz GLTXLLZPUPPFBP-UHFFFAOYSA-N 0 0 291.826 3.924 20 70 CHIDRN CC(C)Cc1noc([C@H](C)c2c(F)cccc2F)n1 ZINC000160840468 328088066 /nfs/dbraw/zinc/08/80/66/328088066.db2.gz MYJMBPYCGFXUOW-SECBINFHSA-N 0 0 266.291 3.698 20 70 CHIDRN CC[C@@H](C)OCC(=O)Nc1ccc(O[C@@H](C)CC)cc1 ZINC000160825778 328088462 /nfs/dbraw/zinc/08/84/62/328088462.db2.gz XCBYLGDBSSUPBX-OLZOCXBDSA-N 0 0 279.380 3.618 20 70 CHIDRN CC[C@H](C(=O)NCC1(C)CCC1)c1ccc(F)cc1 ZINC000160852206 328089084 /nfs/dbraw/zinc/08/90/84/328089084.db2.gz IIBWWTMUQNAKLT-AWEZNQCLSA-N 0 0 263.356 3.626 20 70 CHIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccs1 ZINC000160859335 328089304 /nfs/dbraw/zinc/08/93/04/328089304.db2.gz QCOLNQFVDLUYKV-NEPJUHHUSA-N 0 0 251.395 3.789 20 70 CHIDRN CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@@H](C)c1ccc(OC)cc1 ZINC000160873286 328089856 /nfs/dbraw/zinc/08/98/56/328089856.db2.gz OVRBJTQBBZRJQQ-XGWLTEMNSA-N 0 0 275.392 3.651 20 70 CHIDRN CC[C@H](Nc1ccc(C)c(C(N)=O)c1)c1ccc(F)cc1 ZINC000160871923 328089920 /nfs/dbraw/zinc/08/99/20/328089920.db2.gz MTFZKFYNSJWNOP-INIZCTEOSA-N 0 0 286.350 3.796 20 70 CHIDRN COc1cccc(-c2noc(-c3cccn3C(C)C)n2)c1 ZINC000160881301 328091232 /nfs/dbraw/zinc/09/12/32/328091232.db2.gz RJUAMOCXALKEHD-UHFFFAOYSA-N 0 0 283.331 3.795 20 70 CHIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc(F)c1 ZINC000160944076 328096510 /nfs/dbraw/zinc/09/65/10/328096510.db2.gz SSUSVDSEDHKHQE-SWLSCSKDSA-N 0 0 263.356 3.867 20 70 CHIDRN CC[C@@H](C)OCC(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000160964061 328100834 /nfs/dbraw/zinc/10/08/34/328100834.db2.gz XRGDEOLSIVIFTN-GFCCVEGCSA-N 0 0 295.810 3.651 20 70 CHIDRN Cc1conc1NC(=O)CCC(C)(C)c1ccccc1 ZINC000160951153 328097128 /nfs/dbraw/zinc/09/71/28/328097128.db2.gz HHWYHRPPRSVGGW-UHFFFAOYSA-N 0 0 272.348 3.680 20 70 CHIDRN CCCCc1noc([C@@H](C)N[C@@H](CC)c2nccs2)n1 ZINC000161068860 328124194 /nfs/dbraw/zinc/12/41/94/328124194.db2.gz XNSBBYBNHGCOLR-MNOVXSKESA-N 0 0 294.424 3.671 20 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CC[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000159484421 327200591 /nfs/dbraw/zinc/20/05/91/327200591.db2.gz CHFBCHSUZRUGOU-CJNGLKHVSA-N 0 0 297.345 3.683 20 70 CHIDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1Cl ZINC000159526636 327531494 /nfs/dbraw/zinc/53/14/94/327531494.db2.gz HKEJIOZOTVHKDI-MFKMUULPSA-N 0 0 251.757 3.649 20 70 CHIDRN CCCCCOc1ccc(NC(=O)CSC)cc1 ZINC000159630975 327547950 /nfs/dbraw/zinc/54/79/50/327547950.db2.gz QAAMDPFAEAFRMI-UHFFFAOYSA-N 0 0 267.394 3.557 20 70 CHIDRN CSC[C@H]1CCCN1C(=O)CCc1cc(C)cc(C)c1 ZINC000159677813 327553489 /nfs/dbraw/zinc/55/34/89/327553489.db2.gz QFOZZQMJRKXSAY-MRXNPFEDSA-N 0 0 291.460 3.590 20 70 CHIDRN O=C(CCCCC(=O)c1ccccc1)NCC1(C2CC2)CC1 ZINC000159673110 327553683 /nfs/dbraw/zinc/55/36/83/327553683.db2.gz HKDWPZNRMQMAPF-UHFFFAOYSA-N 0 0 299.414 3.736 20 70 CHIDRN CCCC1(CNC(=O)Nc2ccc(OC)cc2C)CC1 ZINC000159681085 327554077 /nfs/dbraw/zinc/55/40/77/327554077.db2.gz SVBRGJFLCCFZKT-UHFFFAOYSA-N 0 0 276.380 3.705 20 70 CHIDRN 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ZINC000161456694 329936085 /nfs/dbraw/zinc/93/60/85/329936085.db2.gz DGIUOOZDOQRKMV-CABZTGNLSA-N 0 0 296.773 3.577 20 70 CHIDRN Fc1cccc(F)c1CNc1ccc(C(F)(F)F)nc1 ZINC000160067337 330857998 /nfs/dbraw/zinc/85/79/98/330857998.db2.gz NFMVFUJYPMXCMF-UHFFFAOYSA-N 0 0 288.219 3.991 20 70 CHIDRN C[C@@H](CCc1ccco1)Nc1nnc(C(F)(F)F)s1 ZINC000160153566 330859872 /nfs/dbraw/zinc/85/98/72/330859872.db2.gz KDCDACGHMWKMCE-ZETCQYMHSA-N 0 0 291.298 3.583 20 70 CHIDRN Cc1nc(NC(=O)c2cc3ccccc3o2)cc(C2CC2)n1 ZINC000160249777 330862016 /nfs/dbraw/zinc/86/20/16/330862016.db2.gz FVZDNLOWIBLMTB-UHFFFAOYSA-N 0 0 293.326 3.661 20 70 CHIDRN CCC1(CC)CCN(C(=O)NC2CCCC2)CC1 ZINC000160551457 330867079 /nfs/dbraw/zinc/86/70/79/330867079.db2.gz RBRXDDCCQISPDV-UHFFFAOYSA-N 0 0 252.402 3.541 20 70 CHIDRN CCCCC(=O)Nc1cc(F)c(Br)cc1F ZINC000160862090 330877919 /nfs/dbraw/zinc/87/79/19/330877919.db2.gz VEHBQBCBCVTYNW-UHFFFAOYSA-N 0 0 292.123 3.856 20 70 CHIDRN CC1(C)CCCN1C(=O)Cc1c(Cl)cccc1Cl ZINC000216791133 333117675 /nfs/dbraw/zinc/11/76/75/333117675.db2.gz LXIKTQPZVBWRDC-UHFFFAOYSA-N 0 0 286.202 3.937 20 70 CHIDRN CC[C@@H](C)c1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000217347855 333120456 /nfs/dbraw/zinc/12/04/56/333120456.db2.gz RVXMPVZGBWUOOL-CQSZACIVSA-N 0 0 275.392 3.591 20 70 CHIDRN C[C@@H]1Cc2ccccc2N1C(=O)NCCc1ccc(F)cc1 ZINC000217530448 333121438 /nfs/dbraw/zinc/12/14/38/333121438.db2.gz XUFKLOPLTAJTIK-CYBMUJFWSA-N 0 0 298.361 3.529 20 70 CHIDRN CCc1ncnc(N[C@H](CC)c2ccccc2)c1F ZINC000217995202 333125629 /nfs/dbraw/zinc/12/56/29/333125629.db2.gz CYJKAPDTXIFWAH-GFCCVEGCSA-N 0 0 259.328 3.741 20 70 CHIDRN CS[C@H]1CCC[C@H](Nc2ccc(C(F)(F)F)nn2)C1 ZINC000218023940 333125790 /nfs/dbraw/zinc/12/57/90/333125790.db2.gz QMMZJUSKJPHUIM-IUCAKERBSA-N 0 0 291.342 3.582 20 70 CHIDRN CC(C)CC[C@@H](C)NC(=O)NCCCc1ccccc1 ZINC000218052596 333125965 /nfs/dbraw/zinc/12/59/65/333125965.db2.gz BDTRQOJTZDFMQB-OAHLLOKOSA-N 0 0 276.424 3.743 20 70 CHIDRN CC(C)Oc1cncc(C(=O)N2C[C@@H](C)CCC[C@H]2C)c1 ZINC000159482021 519785248 /nfs/dbraw/zinc/78/52/48/519785248.db2.gz VOHCSROINNBBMG-UONOGXRCSA-N 0 0 290.407 3.520 20 70 CHIDRN CCN(Cc1cccc(F)c1)C(=O)c1cccc(C)c1F ZINC000161420221 521348393 /nfs/dbraw/zinc/34/83/93/521348393.db2.gz YNQYUCCAMCJWFM-UHFFFAOYSA-N 0 0 289.325 3.936 20 70 CHIDRN Cc1ccc(CN(C(=O)[C@@H]2CC2(C)C)C(C)C)s1 ZINC000161074367 524357437 /nfs/dbraw/zinc/35/74/37/524357437.db2.gz CLZNKJSEBXMKIK-ZDUSSCGKSA-N 0 0 265.422 3.840 20 70 CHIDRN Cc1cccc(CN(C)C(=O)c2cccc(C)c2F)c1 ZINC000161440963 524373716 /nfs/dbraw/zinc/37/37/16/524373716.db2.gz VRBXPVPTIRDEII-UHFFFAOYSA-N 0 0 271.335 3.715 20 70 CHIDRN C[C@@H](CC1CCCC1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159491168 524433095 /nfs/dbraw/zinc/43/30/95/524433095.db2.gz LMCDBBKXIULODF-GOEBONIOSA-N 0 0 293.451 3.811 20 70 CHIDRN Cc1cnc(N[C@H]2CCCc3sccc32)nc1C ZINC000161062622 526096927 /nfs/dbraw/zinc/09/69/27/526096927.db2.gz KAXRPTVIWOXWMC-LBPRGKRZSA-N 0 0 259.378 3.644 20 70 CHIDRN O=C(CCC1CCCC1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159649246 526405386 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/nfs/dbraw/zinc/21/83/98/261218398.db2.gz HTIDFOMLEDRIIZ-LLVKDONJSA-N 0 0 283.441 3.500 20 70 CHIDRN C[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccccc1Cl ZINC000217367407 260701119 /nfs/dbraw/zinc/70/11/19/260701119.db2.gz BKGJBKRUGZLDNU-IUODEOHRSA-N 0 0 294.826 3.760 20 70 CHIDRN CCCCn1ncc(NC(=O)N[C@H]2CCC[C@H](C)C2)c1C ZINC000159707029 260924937 /nfs/dbraw/zinc/92/49/37/260924937.db2.gz ARTBYKPNFAOHMC-JSGCOSHPSA-N 0 0 292.427 3.692 20 70 CHIDRN CS[C@@H](C)CC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000159376522 261185205 /nfs/dbraw/zinc/18/52/05/261185205.db2.gz KRZLRYPVVKEHQM-STQMWFEESA-N 0 0 295.448 3.793 20 70 CHIDRN CCOc1cc(F)ccc1NCc1c(C)onc1CC ZINC000159402447 261185428 /nfs/dbraw/zinc/18/54/28/261185428.db2.gz SXVBAAHXAMCNBA-UHFFFAOYSA-N 0 0 278.327 3.695 20 70 CHIDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1ccccc1F ZINC000159390720 261185665 /nfs/dbraw/zinc/18/56/65/261185665.db2.gz PORXZCOWASCGHW-QWHCGFSZSA-N 0 0 289.375 3.616 20 70 CHIDRN CCOc1ccc(NCc2c(C)onc2CC)c(C)c1 ZINC000159409917 261185710 /nfs/dbraw/zinc/18/57/10/261185710.db2.gz ZHBCKPWMRXBGBI-UHFFFAOYSA-N 0 0 274.364 3.865 20 70 CHIDRN C[C@@H]1CSc2ccccc2N(C(=O)c2cscn2)C1 ZINC000159594690 261189158 /nfs/dbraw/zinc/18/91/58/261189158.db2.gz RFZSYALIHKJXDR-JTQLQIEISA-N 0 0 290.413 3.532 20 70 CHIDRN CN(Cc1ncc(C(C)(C)C)o1)OCc1ccccc1 ZINC000159623982 261189590 /nfs/dbraw/zinc/18/95/90/261189590.db2.gz MZECLKAWNDVEIX-UHFFFAOYSA-N 0 0 274.364 3.536 20 70 CHIDRN C[C@@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccnc1 ZINC000159642983 261190394 /nfs/dbraw/zinc/19/03/94/261190394.db2.gz PNWQRDWEARZQMJ-QKPAOTATSA-N 0 0 286.419 3.865 20 70 CHIDRN Cc1cccc(C(=O)N2C[C@@H](C)CSc3ccccc32)n1 ZINC000159657640 261190833 /nfs/dbraw/zinc/19/08/33/261190833.db2.gz KOABYULODQUKMP-GFCCVEGCSA-N 0 0 298.411 3.779 20 70 CHIDRN Cc1ccccc1[C@H](C)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000159736414 261193299 /nfs/dbraw/zinc/19/32/99/261193299.db2.gz FUWKFCGLTSZFRS-ZDUSSCGKSA-N 0 0 296.370 3.523 20 70 CHIDRN CCN(CC)C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000159739458 261193404 /nfs/dbraw/zinc/19/34/04/261193404.db2.gz YWYMTZXFXMIUDS-UHFFFAOYSA-N 0 0 289.423 3.797 20 70 CHIDRN O=C(CCCc1ccc(F)c(F)c1)NCC1(C2CC2)CC1 ZINC000159781140 261194103 /nfs/dbraw/zinc/19/41/03/261194103.db2.gz SARWSHZHAIHMMH-UHFFFAOYSA-N 0 0 293.357 3.594 20 70 CHIDRN COC(=O)c1ccc(CSCc2nc(C)cs2)s1 ZINC000159834221 261195464 /nfs/dbraw/zinc/19/54/64/261195464.db2.gz ABQQALYWBCOAFD-UHFFFAOYSA-N 0 0 299.442 3.733 20 70 CHIDRN COc1ccccc1OC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000159997357 261201204 /nfs/dbraw/zinc/20/12/04/261201204.db2.gz NYOQUTAXJBACEP-RYUDHWBXSA-N 0 0 288.368 3.774 20 70 CHIDRN CC(C)[C@H](C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000160002863 261202300 /nfs/dbraw/zinc/20/23/00/261202300.db2.gz BGTLQNURFDEPJI-CMPLNLGQSA-N 0 0 251.395 3.534 20 70 CHIDRN O=C(N[C@H]1CCCc2sccc21)c1ccsc1 ZINC000160073175 261203480 /nfs/dbraw/zinc/20/34/80/261203480.db2.gz BLNWALVTEGSVOF-NSHDSACASA-N 0 0 263.387 3.617 20 70 CHIDRN Cc1cc(C)c(NC(=O)C[C@@H]2CSCCS2)c(C)c1 ZINC000160064064 261203558 /nfs/dbraw/zinc/20/35/58/261203558.db2.gz SNDFERJQOWFTSZ-CYBMUJFWSA-N 0 0 295.473 3.789 20 70 CHIDRN O=C(CC[C@H]1CCCCO1)N[C@@H]1CCCc2sccc21 ZINC000160085728 261204115 /nfs/dbraw/zinc/20/41/15/261204115.db2.gz JEBNDWQHWTYAIK-TZMCWYRMSA-N 0 0 293.432 3.591 20 70 CHIDRN Cc1cc(C)c(C(=O)O[C@H](c2ccccn2)C(F)(F)F)o1 ZINC000160098697 261205109 /nfs/dbraw/zinc/20/51/09/261205109.db2.gz AWELPZMKNGRGCA-GFCCVEGCSA-N 0 0 299.248 3.752 20 70 CHIDRN O=C(Cc1cccs1)N[C@H]1CCCc2sccc21 ZINC000160136137 261205885 /nfs/dbraw/zinc/20/58/85/261205885.db2.gz KTJBOHRSOVKORX-LBPRGKRZSA-N 0 0 277.414 3.546 20 70 CHIDRN O=C(N[C@H]1CCCc2sccc21)c1c(F)cccc1F ZINC000160249424 261209286 /nfs/dbraw/zinc/20/92/86/261209286.db2.gz CBIYNWOZBQYPLK-LBPRGKRZSA-N 0 0 293.338 3.834 20 70 CHIDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccnc1Cl ZINC000160376475 261212528 /nfs/dbraw/zinc/21/25/28/261212528.db2.gz IDKHKYRSVXVTKE-VHSXEESVSA-N 0 0 292.791 3.847 20 70 CHIDRN CCc1ccc(/C=C/C(=O)N[C@@H](CC)c2ccncc2)o1 ZINC000160408575 261213583 /nfs/dbraw/zinc/21/35/83/261213583.db2.gz BCEYURIRSDQRBM-WAVCKPEOSA-N 0 0 284.359 3.518 20 70 CHIDRN CCc1nnc(CN[C@@H](c2ccccc2C)C(C)(C)C)[nH]1 ZINC000160476138 261215114 /nfs/dbraw/zinc/21/51/14/261215114.db2.gz LSWJADHTMRCCCV-INIZCTEOSA-N 0 0 286.423 3.553 20 70 CHIDRN CC(=O)Nc1cc(NC(=O)N[C@H](C)CC(C)C)ccc1C ZINC000160470550 261215338 /nfs/dbraw/zinc/21/53/38/261215338.db2.gz LUGOMVABHJIFJR-GFCCVEGCSA-N 0 0 291.395 3.510 20 70 CHIDRN CC[C@@H](C)OCC(=O)Nc1c(C)cccc1C(C)C ZINC000160517287 261217108 /nfs/dbraw/zinc/21/71/08/261217108.db2.gz BKPSQCZEPUWNBX-CYBMUJFWSA-N 0 0 263.381 3.872 20 70 CHIDRN CC(C)c1noc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1 ZINC000160633825 261220545 /nfs/dbraw/zinc/22/05/45/261220545.db2.gz CHHOGYDRQQSALW-KGLIPLIRSA-N 0 0 287.363 3.525 20 70 CHIDRN Cc1ccc(Oc2ccccc2)c(NC(=O)[C@@H]2CCCO2)c1 ZINC000160623969 261220875 /nfs/dbraw/zinc/22/08/75/261220875.db2.gz FLMGCUHWHSHONM-KRWDZBQOSA-N 0 0 297.354 3.905 20 70 CHIDRN CCc1cccc(CC)c1NC(=O)C[C@H](C)SC ZINC000160647849 261221634 /nfs/dbraw/zinc/22/16/34/261221634.db2.gz NJYCRIGZEBDGQX-NSHDSACASA-N 0 0 265.422 3.892 20 70 CHIDRN CC1(C)C[C@@H](Nc2ccc3ccc(F)cc3n2)CCO1 ZINC000160662991 261222299 /nfs/dbraw/zinc/22/22/99/261222299.db2.gz WEPGARDTKCOWTC-ZDUSSCGKSA-N 0 0 274.339 3.743 20 70 CHIDRN Cc1nc(C)c(CNC(=O)C2CCC(C)(C)CC2)s1 ZINC000160692980 261223252 /nfs/dbraw/zinc/22/32/52/261223252.db2.gz VMPMNOZZOSMSFB-UHFFFAOYSA-N 0 0 280.437 3.593 20 70 CHIDRN C/C=C(\C=C\C(=O)NCCc1csc(C(C)C)n1)CC ZINC000160736636 261225011 /nfs/dbraw/zinc/22/50/11/261225011.db2.gz GUSMNSGSTJOJMH-QZHJDZNUSA-N 0 0 292.448 3.838 20 70 CHIDRN CC(C)c1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)cn1 ZINC000160764697 261225978 /nfs/dbraw/zinc/22/59/78/261225978.db2.gz WSUKXQZZASBFSK-BETUJISGSA-N 0 0 260.381 3.608 20 70 CHIDRN CC(C)c1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cn1 ZINC000160764838 261226041 /nfs/dbraw/zinc/22/60/41/261226041.db2.gz WSUKXQZZASBFSK-STQMWFEESA-N 0 0 260.381 3.608 20 70 CHIDRN C[C@@H]1CCN(C(=O)Nc2ccc3[nH]ccc3c2)C[C@H]1C 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