smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(-c2noc(CCc3c(C)nc(SC)[n-]c3=O)n2)ccn1 ZINC000073340358 541945316 /nfs/dbraw/zinc/94/53/16/541945316.db2.gz WPCVUWCXLRYHKM-UHFFFAOYSA-N -1 1 359.411 2.039 10 0 FEAEMM Cn1cc(CCC[N-]S(=O)(=O)c2sccc2Br)cn1 ZINC000102661868 543076811 /nfs/dbraw/zinc/07/68/11/543076811.db2.gz NFHVSEDKUHYRNS-UHFFFAOYSA-N -1 1 364.290 2.155 10 0 FEAEMM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1O)c1sccc1Br ZINC000085988608 325261547 /nfs/dbraw/zinc/26/15/47/325261547.db2.gz QLBCCZURCVTSQZ-WPRPVWTQSA-N -1 1 354.291 2.340 10 0 FEAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000104027683 325530933 /nfs/dbraw/zinc/53/09/33/325530933.db2.gz KTEDCPVPZYFTAO-NWDGAFQWSA-N -1 1 370.375 2.419 10 0 FEAEMM CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(Br)c([O-])c1)CC2 ZINC000159260772 326924830 /nfs/dbraw/zinc/92/48/30/326924830.db2.gz BNYNVQOFHIBTCC-SNVBAGLBSA-N -1 1 365.231 2.053 10 0 FEAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(Cn2cccn2)CC1 ZINC000176371098 327451790 /nfs/dbraw/zinc/45/17/90/327451790.db2.gz IZPXMUKQOQAHOF-UHFFFAOYSA-N -1 1 357.458 2.125 10 0 FEAEMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000195320499 548621989 /nfs/dbraw/zinc/62/19/89/548621989.db2.gz OZRXYGFSFQLDQW-HNNXBMFYSA-N -1 1 357.483 2.223 10 0 FEAEMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(N2CCC[C@H]2CO)nc1 ZINC000301585195 553663417 /nfs/dbraw/zinc/66/34/17/553663417.db2.gz QYBMMSRIXATGLA-LBPRGKRZSA-N -1 1 369.393 2.122 10 0 FEAEMM CC(C)N1C[C@H](C)[C@H]([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)C1 ZINC000245939783 672826614 /nfs/dbraw/zinc/82/66/14/672826614.db2.gz UCRQLSQWZMQSOX-JGVFFNPUSA-N -1 1 372.359 2.389 10 0 FEAEMM O=C(N[C@H]1CCC[C@H](O)C1)c1ccc(I)c([O-])c1 ZINC000612822494 676099847 /nfs/dbraw/zinc/09/98/47/676099847.db2.gz YRVUNQDWQLAXTD-UWVGGRQHSA-N -1 1 361.179 2.030 10 0 FEAEMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H]1N1CCOCC1 ZINC000180612200 327693728 /nfs/dbraw/zinc/69/37/28/327693728.db2.gz VIUHNFMBSIJJBQ-FZMZJTMJSA-N -1 1 358.360 2.204 10 0 FEAEMM O=C([O-])C1CCN(Cc2cnnn2-c2ccc(Br)cc2)CC1 ZINC000228999538 527565568 /nfs/dbraw/zinc/56/55/68/527565568.db2.gz BJNIONYVTIAVOJ-UHFFFAOYSA-N -1 1 365.231 2.326 10 0 FEAEMM CC(C)(C)[C@H](O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000324255271 553771929 /nfs/dbraw/zinc/77/19/29/553771929.db2.gz FPMQEKUSVKGFCZ-LLVKDONJSA-N -1 1 363.195 2.134 10 0 FEAEMM Cc1c([O-])c(C=O)c2c(c1O)C(=O)[C@@H](Cc1ccc3c(c1)OCO3)CO2 ZINC000014757603 291053682 /nfs/dbraw/zinc/05/36/82/291053682.db2.gz AQUXTCZWTTUERG-NSHDSACASA-N -1 1 356.330 2.381 10 0 biogenic,in-vitro FEAEMM COc1ccc(NC(=O)[C@H](C)Sc2nc(N)cc(=O)[n-]2)cc1Cl ZINC000005238044 204198985 /nfs/dbraw/zinc/19/89/85/204198985.db2.gz DALQJTXLKBQJST-ZETCQYMHSA-N -1 1 354.819 2.133 10 0 FEAEMM Nc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cn2ccnn2)c1 ZINC000211752647 206339633 /nfs/dbraw/zinc/33/96/33/206339633.db2.gz RRLCFYBMLCBRIO-UHFFFAOYSA-N -1 1 363.830 2.363 10 0 FEAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000131662934 544200744 /nfs/dbraw/zinc/20/07/44/544200744.db2.gz MYHPOZROTAWWFP-JKSUJKDBSA-N -1 1 358.442 2.154 10 0 FEAEMM CC(C)c1nnc2n1C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)CC2 ZINC000181724428 327743697 /nfs/dbraw/zinc/74/36/97/327743697.db2.gz PIDWOIJXJLQYMJ-SECBINFHSA-N -1 1 374.388 2.112 10 0 FEAEMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000120014713 326221983 /nfs/dbraw/zinc/22/19/83/326221983.db2.gz GFPVOKZRHFDPPC-SECBINFHSA-N -1 1 354.815 2.184 10 0 FEAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000120447395 326259695 /nfs/dbraw/zinc/25/96/95/326259695.db2.gz DVKBJCQHJANLPZ-YWZLYKJASA-N -1 1 372.469 2.138 10 0 FEAEMM Cc1noc([C@H]2COCCN2C(=O)c2ccc(Br)c([O-])c2)n1 ZINC000121096823 326313145 /nfs/dbraw/zinc/31/31/45/326313145.db2.gz PXKXAEBWNQOHEL-LLVKDONJSA-N -1 1 368.187 2.060 10 0 FEAEMM CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)ccc2[O-])ncn1 ZINC000174742532 327347926 /nfs/dbraw/zinc/34/79/26/327347926.db2.gz ZNHMRPNOJINHHR-LBPRGKRZSA-N -1 1 361.833 2.276 10 0 FEAEMM Cc1cnn([C@H]2CCCN(C(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)C2)c1 ZINC000176240705 546423079 /nfs/dbraw/zinc/42/30/79/546423079.db2.gz KKCDXHPEPGTIBW-AWEZNQCLSA-N -1 1 357.458 2.358 10 0 FEAEMM CC[C@@H]1CCCCN1C(=O)[C@H](C)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262693796 549839325 /nfs/dbraw/zinc/83/93/25/549839325.db2.gz AUFIDCZUFDQUIR-UMSGYPCISA-N -1 1 350.381 2.361 10 0 FEAEMM C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263000891 549870220 /nfs/dbraw/zinc/87/02/20/549870220.db2.gz OUDZPFQDGZACET-QHSBEEBCSA-N -1 1 372.387 2.490 10 0 FEAEMM C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263023040 549872155 /nfs/dbraw/zinc/87/21/55/549872155.db2.gz RBNFKCCSOSQYII-OBPIAQAESA-N -1 1 350.381 2.074 10 0 FEAEMM O=S(=O)([N-][C@@H]1CCC[C@H](O)C1)c1cc(Br)cnc1Cl ZINC000041066558 670142520 /nfs/dbraw/zinc/14/25/20/670142520.db2.gz BXWIIXGPVUOXLB-BDAKNGLRSA-N -1 1 369.668 2.079 10 0 FEAEMM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cn[nH]c2-c2ccsc2)c1 ZINC000187236398 672564321 /nfs/dbraw/zinc/56/43/21/672564321.db2.gz WKDAZMOHETVSPX-UHFFFAOYSA-N -1 1 358.404 2.129 10 0 FEAEMM CCCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1O)C(=O)[O-] ZINC000263562789 672936492 /nfs/dbraw/zinc/93/64/92/672936492.db2.gz SVWGPONLPHZUQA-SECBINFHSA-N -1 1 355.334 2.333 10 0 FEAEMM O=c1cc(-c2ccc(O)cc2)oc2cc(OS(=O)(=O)[O-])cc(O)c12 ZINC000014807611 539605944 /nfs/dbraw/zinc/60/59/44/539605944.db2.gz UQUHXFINOFUDCC-UHFFFAOYSA-N -1 1 350.304 2.053 10 0 endogenous,in-man FEAEMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(Br)cn2)c1 ZINC000034936906 539978562 /nfs/dbraw/zinc/97/85/62/539978562.db2.gz CTUFZLULABOTCA-UHFFFAOYSA-N -1 1 357.185 2.343 10 0 FEAEMM COc1ccc([C@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)cc1OC ZINC000079403949 542516863 /nfs/dbraw/zinc/51/68/63/542516863.db2.gz DENBIXRUVLQBAK-NSHDSACASA-N -1 1 353.378 2.431 10 0 FEAEMM Cc1ccc2c([O-])c(C(=O)N3CCO[C@H](c4nccs4)C3)cnc2n1 ZINC000111620678 543409781 /nfs/dbraw/zinc/40/97/81/543409781.db2.gz DDYFHCNOILJBOZ-ZDUSSCGKSA-N -1 1 356.407 2.314 10 0 FEAEMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCO[C@H](c3nccs3)C1)c2=O ZINC000111620678 543409783 /nfs/dbraw/zinc/40/97/83/543409783.db2.gz DDYFHCNOILJBOZ-ZDUSSCGKSA-N -1 1 356.407 2.314 10 0 FEAEMM C[C@H](NC(=O)c1cc(I)ccc1[O-])[C@@H]1CCCO1 ZINC000193212292 328362722 /nfs/dbraw/zinc/36/27/22/328362722.db2.gz FOQQGSBBMPJHPE-UFBFGSQYSA-N -1 1 361.179 2.294 10 0 FEAEMM C[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)C[C@H](C)O1 ZINC000230884979 328486994 /nfs/dbraw/zinc/48/69/94/328486994.db2.gz XOADMUGXTNITDE-IUCAKERBSA-N -1 1 361.179 2.246 10 0 FEAEMM CCc1nc2n(n1)C[C@H](NC(=O)c1cc(Br)ccc1[O-])CC2 ZINC000114890510 325931077 /nfs/dbraw/zinc/93/10/77/325931077.db2.gz RJNUJWJDJIOKRY-SNVBAGLBSA-N -1 1 365.231 2.053 10 0 FEAEMM Cc1nn(C)c(C)c1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(F)(F)F ZINC000122008430 326380590 /nfs/dbraw/zinc/38/05/90/326380590.db2.gz OZYFBSTWJJENGZ-CYBMUJFWSA-N -1 1 361.389 2.489 10 0 FEAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2ccc(C)o2)co1 ZINC000153278304 326728817 /nfs/dbraw/zinc/72/88/17/326728817.db2.gz WPRBXNSSNPMMAT-CYBMUJFWSA-N -1 1 352.412 2.457 10 0 FEAEMM Cc1nc(C[C@H]2CCCN(C(=O)c3cnc4nc(C)ccc4c3[O-])C2)no1 ZINC000171485756 327142262 /nfs/dbraw/zinc/14/22/62/327142262.db2.gz QQNLOZSLLIGLGH-CYBMUJFWSA-N -1 1 367.409 2.430 10 0 FEAEMM Cc1nc(C[C@H]2CCCN(C(=O)c3c[n-]c4nc(C)ccc4c3=O)C2)no1 ZINC000171485756 327142264 /nfs/dbraw/zinc/14/22/64/327142264.db2.gz QQNLOZSLLIGLGH-CYBMUJFWSA-N -1 1 367.409 2.430 10 0 FEAEMM CN1C(=O)CC[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)[C@@H]1c1ccccc1 ZINC000171799988 327162195 /nfs/dbraw/zinc/16/21/95/327162195.db2.gz RULMYGKMSBLUQP-JQWIXIFHSA-N -1 1 367.331 2.372 10 0 FEAEMM CC(C)c1nc(C2([N-]S(=O)(=O)c3ncn(C)c3Cl)CCCC2)no1 ZINC000177610105 546653503 /nfs/dbraw/zinc/65/35/03/546653503.db2.gz YKFKDWOCBDMKDK-UHFFFAOYSA-N -1 1 373.866 2.328 10 0 FEAEMM CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000180543956 547127404 /nfs/dbraw/zinc/12/74/04/547127404.db2.gz CCUCQQFGCVFUFR-JTQLQIEISA-N -1 1 354.332 2.310 10 0 FEAEMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1 ZINC000181970168 547415134 /nfs/dbraw/zinc/41/51/34/547415134.db2.gz QPTNGBRRSWQMIE-CYBMUJFWSA-N -1 1 374.340 2.293 10 0 FEAEMM CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000248909166 549527328 /nfs/dbraw/zinc/52/73/28/549527328.db2.gz ZLAKMEFLYLTJJC-RYUDHWBXSA-N -1 1 358.485 2.002 10 0 FEAEMM O=C([O-])[C@@H]1CN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C[C@H]1C(F)(F)F ZINC000263020020 549871530 /nfs/dbraw/zinc/87/15/30/549871530.db2.gz QTPGGDXNRCKPQQ-DGAVXFQQSA-N -1 1 362.392 2.363 10 0 FEAEMM O=C([O-])[C@@H]1CN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C[C@H]1C(F)(F)F ZINC000263020057 549871923 /nfs/dbraw/zinc/87/19/23/549871923.db2.gz QTPGGDXNRCKPQQ-REWJHTLYSA-N -1 1 362.392 2.363 10 0 FEAEMM C[N@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)NC2CC(C)(C)CC(C)(C)C2)CCO1 ZINC000263228424 549887593 /nfs/dbraw/zinc/88/75/93/549887593.db2.gz MCGGHOPEZGRDPH-OAHLLOKOSA-N -1 1 369.506 2.018 10 0 FEAEMM CCN(C)[C@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000262405361 672915230 /nfs/dbraw/zinc/91/52/30/672915230.db2.gz YVVRNDUXSGBQIR-MCIONIFRSA-N -1 1 358.360 2.401 10 0 FEAEMM CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000702792147 673059637 /nfs/dbraw/zinc/05/96/37/673059637.db2.gz SZELIWDWTWOKHS-HZMBPMFUSA-N -1 1 370.833 2.003 10 0 FEAEMM O=C(c1nc(Br)sc1Cl)N1CCC[C@@H]1c1nn[n-]n1 ZINC000900392355 690511357 /nfs/dbraw/zinc/51/13/57/690511357.db2.gz YKLXYLBXRZHOMQ-SCSAIBSYSA-N -1 1 363.628 2.049 10 0 FEAEMM COc1cc([N-]S(=O)(=O)c2ccccc2)cc2sc(=NN)[nH]c21 ZINC000226314501 206121298 /nfs/dbraw/zinc/12/12/98/206121298.db2.gz SQFBKCUBBNKJGG-UHFFFAOYSA-N -1 1 350.425 2.391 10 0 FEAEMM Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Br)c([O-])c1 ZINC000152407946 544649880 /nfs/dbraw/zinc/64/98/80/544649880.db2.gz KIYVLWFERSXAON-LLVKDONJSA-N -1 1 351.204 2.320 10 0 FEAEMM CC(C)c1nnc2n1C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)CC2 ZINC000181724447 327743505 /nfs/dbraw/zinc/74/35/05/327743505.db2.gz PIDWOIJXJLQYMJ-VIFPVBQESA-N -1 1 374.388 2.112 10 0 FEAEMM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000175226242 327381164 /nfs/dbraw/zinc/38/11/64/327381164.db2.gz AYBCMYKEQZDYCX-HTQZYQBOSA-N -1 1 363.340 2.455 10 0 FEAEMM CCc1nc(C2([N-]S(=O)(=O)c3c(C)nn(C)c3Cl)CCCC2)no1 ZINC000177608396 546652359 /nfs/dbraw/zinc/65/23/59/546652359.db2.gz CZIMSVJXWBKCDN-UHFFFAOYSA-N -1 1 373.866 2.075 10 0 FEAEMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000195320490 548622998 /nfs/dbraw/zinc/62/29/98/548622998.db2.gz OZRXYGFSFQLDQW-OAHLLOKOSA-N -1 1 357.483 2.223 10 0 FEAEMM O=C(NCC[C@@H]1CCCO1)c1ccc(I)c([O-])c1 ZINC000230887598 548761539 /nfs/dbraw/zinc/76/15/39/548761539.db2.gz CCFWERBUBBTMIO-JTQLQIEISA-N -1 1 361.179 2.296 10 0 FEAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000064317330 541200695 /nfs/dbraw/zinc/20/06/95/541200695.db2.gz MYHPOZROTAWWFP-HZPDHXFCSA-N -1 1 358.442 2.154 10 0 FEAEMM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000114511333 543522234 /nfs/dbraw/zinc/52/22/34/543522234.db2.gz ZCYSUWZGAXXTOE-OAHLLOKOSA-N -1 1 351.410 2.251 10 0 FEAEMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(C)C)c(Br)o1 ZINC000153770227 544820669 /nfs/dbraw/zinc/82/06/69/544820669.db2.gz PJJAUFPSFLLGTA-SSDOTTSWSA-N -1 1 354.222 2.152 10 0 FEAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113892488 325864563 /nfs/dbraw/zinc/86/45/63/325864563.db2.gz VVAWOGXFPXUSFF-MRXNPFEDSA-N -1 1 368.441 2.461 10 0 FEAEMM Cc1nc(CN2CCCN(C(=O)c3ccc(Cl)cc3[O-])CC2)no1 ZINC000131190327 326569913 /nfs/dbraw/zinc/56/99/13/326569913.db2.gz HXKOGDUIKORRSQ-UHFFFAOYSA-N -1 1 350.806 2.085 10 0 FEAEMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](Cn2cncn2)C1 ZINC000131984497 326585148 /nfs/dbraw/zinc/58/51/48/326585148.db2.gz UWXSVIAVCHKSID-NSHDSACASA-N -1 1 365.231 2.299 10 0 FEAEMM CCC[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)OC(C)(C)C ZINC000162071976 327016078 /nfs/dbraw/zinc/01/60/78/327016078.db2.gz QNOBNCDORYQFOW-JTQLQIEISA-N -1 1 365.883 2.171 10 0 FEAEMM Cc1nc([C@@H]2CN(C(=O)c3c([O-])cc(Cl)cc3Cl)CCO2)n[nH]1 ZINC000175257940 327382825 /nfs/dbraw/zinc/38/28/25/327382825.db2.gz SSBVPXIVYATTAC-NSHDSACASA-N -1 1 357.197 2.339 10 0 FEAEMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000195320743 548623069 /nfs/dbraw/zinc/62/30/69/548623069.db2.gz LYGXMUFGUXFBQH-OAHLLOKOSA-N -1 1 357.483 2.223 10 0 FEAEMM O=S(=O)([N-]CC[C@H]1CCCO1)c1cc(Br)cnc1Cl ZINC000041066338 670142341 /nfs/dbraw/zinc/14/23/41/670142341.db2.gz AIPMZBNBMRUPCC-SECBINFHSA-N -1 1 369.668 2.345 10 0 FEAEMM CCC[C@H](N[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC)C(=O)[O-] ZINC000262336162 672913518 /nfs/dbraw/zinc/91/35/18/672913518.db2.gz ZGEXRPQDEGXRFC-ZOWXZIJZSA-N -1 1 352.431 2.112 10 0 FEAEMM Cc1cc(C)n(C[C@@H]2CN(Cc3cc(=O)oc4cc([O-])ccc34)CCO2)n1 ZINC000106203005 543217666 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CC(C)(C)[C@H](O)CNC(=O)c1cc(I)ccc1[O-] ZINC000133318829 326606768 /nfs/dbraw/zinc/60/67/68/326606768.db2.gz GNZGSZBXAFMOCU-LLVKDONJSA-N -1 1 363.195 2.134 10 0 FEAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2ccc(C)o2)co1 ZINC000153278197 326728867 /nfs/dbraw/zinc/72/88/67/326728867.db2.gz WPRBXNSSNPMMAT-ZDUSSCGKSA-N -1 1 352.412 2.457 10 0 FEAEMM Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Br)cc1[O-] ZINC000176289427 546427433 /nfs/dbraw/zinc/42/74/33/546427433.db2.gz IBSNADVPTHILRF-LLVKDONJSA-N -1 1 351.204 2.320 10 0 FEAEMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1Cl ZINC000185151137 547941757 /nfs/dbraw/zinc/94/17/57/547941757.db2.gz LZEVNIYHXDETNZ-AAEUAGOBSA-N -1 1 372.874 2.204 10 0 FEAEMM CCn1ccnc1CS(=O)(=O)c1nc(-c2ccc3c(c2)CCC3)n[n-]1 ZINC000195211490 548597463 /nfs/dbraw/zinc/59/74/63/548597463.db2.gz CEDDJZVZBYATQH-UHFFFAOYSA-N -1 1 357.439 2.151 10 0 FEAEMM CCn1ccnc1CS(=O)(=O)c1n[n-]c(-c2ccc3c(c2)CCC3)n1 ZINC000195211490 548597468 /nfs/dbraw/zinc/59/74/68/548597468.db2.gz 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