smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1cscn1)c1nc[nH]c(=O)c1I ZINC000167455411 530020747 /nfs/dbraw/zinc/02/07/47/530020747.db2.gz IRESGMYVBPHYSK-UHFFFAOYSA-N 0 1 348.169 1.467 10 0 EDAEMN Cc1nc([C@@H]2CN(C(=O)Nc3ccc4c(c3)COC4)CCO2)n[nH]1 ZINC000123934104 138322468 /nfs/dbraw/zinc/32/24/68/138322468.db2.gz FCXXOUZQQNOBCT-AWEZNQCLSA-N 0 1 329.360 1.749 10 0 EDAEMN CN(C)c1nnc(SC[C@@](NC2CC2)(C(N)=O)C2CC2)s1 ZINC000069191367 202271343 /nfs/dbraw/zinc/27/13/43/202271343.db2.gz UQXZUGBVZGTWTM-ZDUSSCGKSA-N 0 1 327.479 1.082 10 0 EDAEMN CCOC(=O)C(=CN=c1cc(N)[nH]c(SC)n1)C(=O)OCC ZINC000001731920 201358735 /nfs/dbraw/zinc/35/87/35/201358735.db2.gz LPOCZNCNWDOCNI-UHFFFAOYSA-N 0 1 326.378 1.203 10 0 EDAEMN O=C([O-])c1ccc(-c2ccc(S(=O)(=O)N3CC[NH2+]CC3)cc2)cc1 ZINC000071709455 203103966 /nfs/dbraw/zinc/10/39/66/203103966.db2.gz BUKHNFUFOSWMDY-UHFFFAOYSA-N 0 1 346.408 1.646 10 0 EDAEMN CS(=O)(=O)CC[C@H](N)C(=O)Nc1cccc(Cl)c1Cl ZINC000019980719 212092217 /nfs/dbraw/zinc/09/22/17/212092217.db2.gz USCRBSZQUBHVDZ-QMMMGPOBSA-N 0 1 325.217 1.694 10 0 EDAEMN COC(=O)c1cc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)c(C)s1 ZINC000151840802 204114763 /nfs/dbraw/zinc/11/47/63/204114763.db2.gz JPAPOHXQWPQYQB-LBPRGKRZSA-N 0 1 336.417 1.843 10 0 EDAEMN CC[C@H]1CN(CC(=O)NC(=O)Nc2ccccc2)CCN1C[C@@H](C)O ZINC000105826369 204167655 /nfs/dbraw/zinc/16/76/55/204167655.db2.gz ZRYGPTMPTBMRFB-ZBFHGGJFSA-N 0 1 348.447 1.112 10 0 EDAEMN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCN2CCCC[C@@H]2C1 ZINC000195045870 139005451 /nfs/dbraw/zinc/00/54/51/139005451.db2.gz LEFJDVJUFJLUIB-ZIAGYGMSSA-N 0 1 333.398 1.957 10 0 EDAEMN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCN2CCCC[C@H]2C1 ZINC000195045854 139005600 /nfs/dbraw/zinc/00/56/00/139005600.db2.gz LEFJDVJUFJLUIB-KGLIPLIRSA-N 0 1 333.398 1.957 10 0 EDAEMN CCc1nc([C@H]2CN(Cc3cnc4nc(C)cc(C)n34)CCO2)n[nH]1 ZINC000156708333 205116109 /nfs/dbraw/zinc/11/61/09/205116109.db2.gz ICRZHHLUJMVHCZ-CQSZACIVSA-N 0 1 341.419 1.600 10 0 EDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCCN(CC(F)F)CC1 ZINC000130666732 205250870 /nfs/dbraw/zinc/25/08/70/205250870.db2.gz YVCIJWUMCDWSTB-INIZCTEOSA-N 0 1 339.430 1.959 10 0 EDAEMN Cc1cccc(CN2CCN(C[C@@H](O)CN3CCCC3=O)CC2)c1 ZINC000111681877 220178027 /nfs/dbraw/zinc/17/80/27/220178027.db2.gz KNFUZBHPIYUXNB-GOSISDBHSA-N 0 1 331.460 1.096 10 0 EDAEMN N[C@@H](Cc1ccccc1)C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000238086572 139068585 /nfs/dbraw/zinc/06/85/85/139068585.db2.gz XWNSGDJANVYCLB-SBUREZEXSA-N 0 1 330.453 1.622 10 0 EDAEMN CC[C@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)CCN1C[C@H](C)O ZINC000245824971 139086904 /nfs/dbraw/zinc/08/69/04/139086904.db2.gz FMCRINGHYOEPDM-HOCLYGCPSA-N 0 1 343.431 1.185 10 0 EDAEMN Cc1ccccc1CNC(=O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246458599 139109297 /nfs/dbraw/zinc/10/92/97/139109297.db2.gz NHNUQOCOYWVMKM-WMZOPIPTSA-N 0 1 331.460 1.264 10 0 EDAEMN C[C@H](O)CN1CCN([C@@H]2CCN(c3ccccc3F)C2=O)C[C@@H]1C ZINC000246496798 139110651 /nfs/dbraw/zinc/11/06/51/139110651.db2.gz AVTOSFKFZBOKKG-GRDNDAEWSA-N 0 1 335.423 1.318 10 0 EDAEMN C[C@H](O)CN1CCN([C@H]2CCN(c3ccccc3F)C2=O)C[C@H]1C ZINC000246496838 139110883 /nfs/dbraw/zinc/11/08/83/139110883.db2.gz AVTOSFKFZBOKKG-KEYYUXOJSA-N 0 1 335.423 1.318 10 0 EDAEMN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)cnc1N ZINC000246737073 139119577 /nfs/dbraw/zinc/11/95/77/139119577.db2.gz PFOBBQGSBITTQU-KOLCDFICSA-N 0 1 330.841 1.174 10 0 EDAEMN CCOCCN1CCN(Cc2csc(NC(C)=O)n2)C[C@H]1C ZINC000247057076 139133606 /nfs/dbraw/zinc/13/36/06/139133606.db2.gz FQDMYGKNEJJZMR-GFCCVEGCSA-N 0 1 326.466 1.644 10 0 EDAEMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000247190845 139139659 /nfs/dbraw/zinc/13/96/59/139139659.db2.gz ODNSMZIPJOWNJY-KSZLIROESA-N 0 1 347.503 1.811 10 0 EDAEMN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000247234067 139141733 /nfs/dbraw/zinc/14/17/33/139141733.db2.gz XERMEBFGCPLFRB-MLGOLLRUSA-N 0 1 339.461 1.652 10 0 EDAEMN CC[C@@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)CCN1C[C@H](C)O ZINC000247236158 139141627 /nfs/dbraw/zinc/14/16/27/139141627.db2.gz RUZVBQQSVARPDE-JQHSSLGASA-N 0 1 333.476 1.593 10 0 EDAEMN CC[C@H]1CN(C(=O)NCc2ccc(C)cc2OC)CCN1C[C@H](C)O ZINC000248443258 139164282 /nfs/dbraw/zinc/16/42/82/139164282.db2.gz AYQOQIVCHGCDOY-RDJZCZTQSA-N 0 1 349.475 1.990 10 0 EDAEMN CC(C)NC(=O)CN1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248642718 139169867 /nfs/dbraw/zinc/16/98/67/139169867.db2.gz ZUZACKBLIDTJDB-IHRRRGAJSA-N 0 1 325.453 1.746 10 0 EDAEMN CC[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)CCN1C[C@@H](C)O ZINC000174610960 207036792 /nfs/dbraw/zinc/03/67/92/207036792.db2.gz KPSLMSQUSXNMEN-HUUCEWRRSA-N 0 1 343.431 1.185 10 0 EDAEMN Cc1nc(NC(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)oc1C ZINC000263476963 139344028 /nfs/dbraw/zinc/34/40/28/139344028.db2.gz JPAUKJZEQHFKMX-UHFFFAOYSA-N 0 1 336.392 1.741 10 0 EDAEMN CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)CCN1CCOC ZINC000117299293 221049627 /nfs/dbraw/zinc/04/96/27/221049627.db2.gz GALCRBLKAIKIDP-QZTJIDSGSA-N 0 1 333.476 1.859 10 0 EDAEMN O=C(C[N@H+]1CCC[C@H](Cn2cncn2)C1)[N-]OCc1ccccc1 ZINC000119426530 221318312 /nfs/dbraw/zinc/31/83/12/221318312.db2.gz FFLPCJMDIMPORD-INIZCTEOSA-N 0 1 329.404 1.238 10 0 EDAEMN Cc1ccc(N2CCC[C@H](N3CCN(C[C@@H](C)O)[C@H](C)C3)C2=O)cc1 ZINC000173675587 292132659 /nfs/dbraw/zinc/13/26/59/292132659.db2.gz ZRQFIEJVEAMWEP-LMMKCTJWSA-N 0 1 345.487 1.877 10 0 EDAEMN CCOCCC1(C(=O)N2CCO[C@H](c3n[nH]c(CC)n3)C2)CCC1 ZINC000122682276 222136577 /nfs/dbraw/zinc/13/65/77/222136577.db2.gz DNNFZMWBQDTOFE-ZDUSSCGKSA-N 0 1 336.436 1.864 10 0 EDAEMN CC[C@@](C)(O)CN1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000123591455 222302185 /nfs/dbraw/zinc/30/21/85/222302185.db2.gz YQPZPYZWJZIMMF-IEBWSBKVSA-N 0 1 331.460 1.571 10 0 EDAEMN CC[C@H](O)CN1CCN(CC(=O)Nc2c(C)cccc2Cl)CC1 ZINC000132499399 276597143 /nfs/dbraw/zinc/59/71/43/276597143.db2.gz ZDHZLYNOGWQPIN-AWEZNQCLSA-N 0 1 339.867 1.975 10 0 EDAEMN Cc1cc(=O)c(C(=O)N2CCN3CCC[C@H]3C2)nn1-c1ccccc1 ZINC000195321529 280302277 /nfs/dbraw/zinc/30/22/77/280302277.db2.gz NBAKDCBVOPXWDJ-INIZCTEOSA-N 0 1 338.411 1.461 10 0 EDAEMN CC[C@@H]1CN(C(=O)C[C@@H](C)N2CCCCC2=O)CCN1C[C@H](C)O ZINC000328770871 280350815 /nfs/dbraw/zinc/35/08/15/280350815.db2.gz RCDLVTQYVVWNOV-OWCLPIDISA-N 0 1 339.480 1.081 10 0 EDAEMN COc1ccc(-n2cc([O-])c(C(=O)N3CC[N@H+]4CCC[C@H]4C3)n2)cc1 ZINC000181047945 295050294 /nfs/dbraw/zinc/05/02/94/295050294.db2.gz YRUBDRZUFKTZCF-AWEZNQCLSA-N 0 1 342.399 1.507 10 0 EDAEMN COc1ccccc1N1CC[C@H](N2CCN(C[C@H](C)O)[C@@H](C)C2)C1=O ZINC000246248610 295370610 /nfs/dbraw/zinc/37/06/10/295370610.db2.gz PCISIRONWXCSSS-ZOBUZTSGSA-N 0 1 347.459 1.187 10 0 EDAEMN C[C@H](CO)NC(=O)[C@H]1C=C2c3cccc4[nH]cc(c43)C[C@@H]2N(C)C1 ZINC000000057316 440796151 /nfs/dbraw/zinc/79/61/51/440796151.db2.gz WVVSZNPYNCNODU-ZUCKAHLUSA-N 0 1 325.412 1.535 10 0 EDAEMN CC(C)[C@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)N1CCOCC1 ZINC000105103771 441233696 /nfs/dbraw/zinc/23/36/96/441233696.db2.gz QTVHTJSNDAPFBB-SJORKVTESA-N 0 1 338.496 1.223 10 0 EDAEMN CN1CCN(CCNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000055095529 441617682 /nfs/dbraw/zinc/61/76/82/441617682.db2.gz KHWKEYKZHGWGCA-MSOLQXFVSA-N 0 1 331.460 1.518 10 0 EDAEMN CNC(=O)c1cccc(CN2CCC(N(C)c3cccnn3)CC2)c1 ZINC000113932410 441628544 /nfs/dbraw/zinc/62/85/44/441628544.db2.gz IQTYUJLEFQABMB-UHFFFAOYSA-N 0 1 339.443 1.937 10 0 EDAEMN CC[C@@H](O)CN1CCN([C@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000173458726 441758759 /nfs/dbraw/zinc/75/87/59/441758759.db2.gz PVMOLVXAOGBRKU-IEBWSBKVSA-N 0 1 347.503 1.730 10 0 EDAEMN CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000116408247 441818498 /nfs/dbraw/zinc/81/84/98/441818498.db2.gz FMRAYBXUTFMDAH-GJZGRUSLSA-N 0 1 348.447 1.011 10 0 EDAEMN Cc1nc([C@@H]2CN(C(=O)c3ccc4c(c3)CCC(=O)N4)CCO2)n[nH]1 ZINC000173521737 441776853 /nfs/dbraw/zinc/77/68/53/441776853.db2.gz GEVNYCFWAWILFV-AWEZNQCLSA-N 0 1 341.371 1.212 10 0 EDAEMN Cc1nc([C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccccc43)CCO2)n[nH]1 ZINC000173542966 441786628 /nfs/dbraw/zinc/78/66/28/441786628.db2.gz ZWYDXDGJKTVDEF-AWEZNQCLSA-N 0 1 339.355 1.581 10 0 EDAEMN CCOc1ccccc1C(=O)N1CCO[C@@H](c2n[nH]c(CC)n2)C1 ZINC000173559162 441791167 /nfs/dbraw/zinc/79/11/67/441791167.db2.gz QDJPPPXDFQRZSP-CQSZACIVSA-N 0 1 330.388 1.980 10 0 EDAEMN CCc1nc([C@@H]2CN(C(=O)COc3ccc(CC)cc3)CCO2)n[nH]1 ZINC000173567355 441793728 /nfs/dbraw/zinc/79/37/28/441793728.db2.gz UIUJRGNBEGGFFH-HNNXBMFYSA-N 0 1 344.415 1.908 10 0 EDAEMN CCc1nc([C@H]2CN(C(=O)c3ccc(C(C)=O)cc3)CCO2)n[nH]1 ZINC000173608103 441803609 /nfs/dbraw/zinc/80/36/09/441803609.db2.gz CMNIIRUOVUHCTP-CQSZACIVSA-N 0 1 328.372 1.783 10 0 EDAEMN CCc1nc([C@@H]2CN(C(=O)c3ccc(NC(C)=O)cc3)CCO2)n[nH]1 ZINC000173609970 441804081 /nfs/dbraw/zinc/80/40/81/441804081.db2.gz JZQWYEIIIPNQAW-AWEZNQCLSA-N 0 1 343.387 1.539 10 0 EDAEMN CCOCCN1CCN(c2ccc3nnc(CC)n3n2)C[C@H]1CC ZINC000116871434 441858088 /nfs/dbraw/zinc/85/80/88/441858088.db2.gz SWIAAVKFOYLIDG-CQSZACIVSA-N 0 1 332.452 1.624 10 0 EDAEMN C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])CCO1 ZINC000116977886 441861608 /nfs/dbraw/zinc/86/16/08/441861608.db2.gz LQXSXTNWBURPEW-LLVKDONJSA-N 0 1 343.221 1.557 10 0 EDAEMN C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173937534 441865753 /nfs/dbraw/zinc/86/57/53/441865753.db2.gz IOLBPFKXVOWASK-YJBOKZPZSA-N 0 1 349.450 1.579 10 0 EDAEMN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000123821096 441900473 /nfs/dbraw/zinc/90/04/73/441900473.db2.gz VPAVMORTPNWXJE-UHFFFAOYSA-N 0 1 346.406 1.840 10 0 EDAEMN CC[C@H](O)CN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000174087727 441886577 /nfs/dbraw/zinc/88/65/77/441886577.db2.gz GZNZOVHOBFSJJG-WBVHZDCISA-N 0 1 331.460 1.353 10 0 EDAEMN COC(=O)N[C@H](CC(C)C)C(=O)NCCN1CCc2ccccc2C1 ZINC000120265282 442039038 /nfs/dbraw/zinc/03/90/38/442039038.db2.gz CQRIHACEYPAIQP-QGZVFWFLSA-N 0 1 347.459 1.932 10 0 EDAEMN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000151426612 442059639 /nfs/dbraw/zinc/05/96/39/442059639.db2.gz ZBKWIYARWVUNBH-GXTWGEPZSA-N 0 1 342.436 1.398 10 0 EDAEMN Cc1nc([C@H]2CN(C(=O)NCc3ccc([C@H](C)O)cc3)CCO2)n[nH]1 ZINC000175474832 442071075 /nfs/dbraw/zinc/07/10/75/442071075.db2.gz GCKSJHQSCLVIGP-XHDPSFHLSA-N 0 1 345.403 1.450 10 0 EDAEMN C[C@@H]1COC[C@H](C)N1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000120834131 442140074 /nfs/dbraw/zinc/14/00/74/442140074.db2.gz XSGQXNNPBDZWAJ-IYBDPMFKSA-N 0 1 349.450 1.974 10 0 EDAEMN Cc1nc([C@H]2CN(C(=O)c3cnn(CC(C)C)c3C)CCO2)n[nH]1 ZINC000164028570 442188421 /nfs/dbraw/zinc/18/84/21/442188421.db2.gz OMXVFMWAIIFDOZ-CQSZACIVSA-N 0 1 332.408 1.488 10 0 EDAEMN CC[C@H]1CN(C(=O)NCc2cccc(N(C)C)n2)CCN1CCOC ZINC000164341642 442194846 /nfs/dbraw/zinc/19/48/46/442194846.db2.gz RLVAJTZDSJDUDM-INIZCTEOSA-N 0 1 349.479 1.400 10 0 EDAEMN CC[C@@H]1CN(C(=O)NCc2cccc(N(C)C)n2)CCN1CCOC ZINC000164341522 442195258 /nfs/dbraw/zinc/19/52/58/442195258.db2.gz RLVAJTZDSJDUDM-MRXNPFEDSA-N 0 1 349.479 1.400 10 0 EDAEMN 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COC(=O)c1ccccc1S(=O)(=O)N[C@H](CC(C)C)CN(C)C ZINC000189133017 292027294 /nfs/dbraw/zinc/02/72/94/292027294.db2.gz QKLFFUQIBAHMIM-CYBMUJFWSA-N 0 1 342.461 1.728 10 0 EDAEMN COCCC[C@H](N)C(=O)c1c(Br)cnn1CCOC ZINC000164528287 226080718 /nfs/dbraw/zinc/08/07/18/226080718.db2.gz LSELGDAAFYJJME-JTQLQIEISA-N 0 1 334.214 1.229 10 0 EDAEMN C[C@H](CNCC(=O)Nc1cccc(Br)c1)[S@](C)=O ZINC000165285502 226120058 /nfs/dbraw/zinc/12/00/58/226120058.db2.gz LPVOBCWEKKTLSB-DYBLOJMWSA-N 0 1 333.251 1.744 10 0 EDAEMN O=C(Nc1cccnc1N1CCOCC1)N1CCN2CCCC[C@@H]2C1 ZINC000171531532 227126586 /nfs/dbraw/zinc/12/65/86/227126586.db2.gz CRBOVXVSGBGTCU-OAHLLOKOSA-N 0 1 345.447 1.620 10 0 EDAEMN O=C(NCCNC(=O)N1CCN2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000171658682 227201847 /nfs/dbraw/zinc/20/18/47/227201847.db2.gz QYIANWSNVSJQDS-INIZCTEOSA-N 0 1 348.422 1.435 10 0 EDAEMN CC[C@@H](O)CN1CCN(Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000123575111 276445416 /nfs/dbraw/zinc/44/54/16/276445416.db2.gz NJYQSCZSUUGWBO-CQSZACIVSA-N 0 1 338.448 1.601 10 0 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/nfs/dbraw/zinc/27/80/75/441278075.db2.gz WSIFZPZJEVBZGC-ZWKOTPCHSA-N 0 1 335.492 1.596 10 0 EDAEMN CC(C)N(Cc1ccccc1)C(=O)CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105822806 441280835 /nfs/dbraw/zinc/28/08/35/441280835.db2.gz IUAHYMNONUTXIX-QZTJIDSGSA-N 0 1 347.503 1.811 10 0 EDAEMN CC[C@@H]1CN(CC(=O)N[C@@H]2CCCC[C@@H]2C)CCN1CCOC ZINC000105835902 441288424 /nfs/dbraw/zinc/28/84/24/441288424.db2.gz JOOORNKFUQVQCJ-GVDBMIGSSA-N 0 1 325.497 1.724 10 0 EDAEMN CC[C@H]1CN([C@@H](C)C(=O)NC2CCCCC2)CCN1CCOC ZINC000105835709 441289243 /nfs/dbraw/zinc/28/92/43/441289243.db2.gz SZYWZUDIRXLGCQ-RDJZCZTQSA-N 0 1 325.497 1.866 10 0 EDAEMN CC[C@H]1CN(CC(=O)Nc2ccc(F)c(F)c2)CCN1CCOC ZINC000105836045 441289404 /nfs/dbraw/zinc/28/94/04/441289404.db2.gz CYTGGLIIHUJWPE-AWEZNQCLSA-N 0 1 341.402 1.946 10 0 EDAEMN CCOCCN1CCN(CC(=O)N2CCCCCC2)C[C@@H]1CC ZINC000105837640 441289750 /nfs/dbraw/zinc/28/97/50/441289750.db2.gz RHNXGLYHDZGJRA-KRWDZBQOSA-N 0 1 325.497 1.822 10 0 EDAEMN CCOC(=O)N1CCC(NC(=O)[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000106426482 441343272 /nfs/dbraw/zinc/34/32/72/441343272.db2.gz KSOVRJDPZSZGDA-QGZVFWFLSA-N 0 1 347.459 1.896 10 0 EDAEMN COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000113306002 441601656 /nfs/dbraw/zinc/60/16/56/441601656.db2.gz LDPNYCIUPLNRLP-TZMCWYRMSA-N 0 1 338.429 1.330 10 0 EDAEMN CC[C@H](O)CN1CCN(CC(=O)NCCC2CCCCC2)CC1 ZINC000173450737 441755707 /nfs/dbraw/zinc/75/57/07/441755707.db2.gz JSASUQMRMAWGFU-KRWDZBQOSA-N 0 1 325.497 1.462 10 0 EDAEMN C[C@@H]1COC[C@@H](C)N1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000077366346 441763782 /nfs/dbraw/zinc/76/37/82/441763782.db2.gz KRUYTXROMGGTFI-HZPDHXFCSA-N 0 1 347.459 1.961 10 0 EDAEMN CCc1nc([C@H]2CN(C(=O)NCc3c(C)noc3C)CCO2)n[nH]1 ZINC000137404618 441767038 /nfs/dbraw/zinc/76/70/38/441767038.db2.gz RIWKGKMFSIZHOH-GFCCVEGCSA-N 0 1 334.380 1.255 10 0 EDAEMN Cc1nc([C@H]2CN(C(=O)c3ccc([S@@](C)=O)cc3)CCO2)n[nH]1 ZINC000173541272 441784929 /nfs/dbraw/zinc/78/49/29/441784929.db2.gz IZASPQWXJQVUCX-JCQPUDPBSA-N 0 1 334.401 1.064 10 0 EDAEMN COc1cccc(CNC(=O)[C@@H](C)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116310319 441809411 /nfs/dbraw/zinc/80/94/11/441809411.db2.gz LHCAAELZWJOZEJ-ZBFHGGJFSA-N 0 1 342.443 1.923 10 0 EDAEMN C[C@@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)[C@@H]1CCCO1 ZINC000174618329 441946143 /nfs/dbraw/zinc/94/61/43/441946143.db2.gz LOVUTVCQRZQKEH-QAPCUYQASA-N 0 1 331.460 1.731 10 0 EDAEMN Cc1nc(C)n(C[C@H]2CCCN(C(=O)CSc3nnc(C)[nH]3)C2)n1 ZINC000174921699 441983996 /nfs/dbraw/zinc/98/39/96/441983996.db2.gz OOMOJFDJYNXRCH-ZDUSSCGKSA-N 0 1 349.464 1.352 10 0 EDAEMN Cc1n[nH]c(SCC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)n1 ZINC000174921699 441984000 /nfs/dbraw/zinc/98/40/00/441984000.db2.gz OOMOJFDJYNXRCH-ZDUSSCGKSA-N 0 1 349.464 1.352 10 0 EDAEMN Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCS(=O)(=O)C(C)C)C2)n1 ZINC000120123952 442012507 /nfs/dbraw/zinc/01/25/07/442012507.db2.gz LCSDFMXBJBEXIO-MRXNPFEDSA-N 0 1 342.509 1.820 10 0 EDAEMN Cc1nc(C)n(C[C@@H]2CCCN(CCCS(=O)(=O)C(C)C)C2)n1 ZINC000120123952 442012513 /nfs/dbraw/zinc/01/25/13/442012513.db2.gz LCSDFMXBJBEXIO-MRXNPFEDSA-N 0 1 342.509 1.820 10 0 EDAEMN Cc1nc([C@@H]2CN(C(=O)NCCc3cccc(C)c3)CCO2)n[nH]1 ZINC000175472153 442069236 /nfs/dbraw/zinc/06/92/36/442069236.db2.gz UEPIRRVNAWUFGY-HNNXBMFYSA-N 0 1 329.404 1.747 10 0 EDAEMN CCOCCN1CCN(C(=O)NCC(C)(C)C[C@@H](C)O)C[C@H]1CC ZINC000175551817 442083897 /nfs/dbraw/zinc/08/38/97/442083897.db2.gz VPVMFLCKYXWPDH-HZPDHXFCSA-N 0 1 343.512 1.926 10 0 EDAEMN CCCc1cc(N2CCO[C@H](c3n[nH]c(C)n3)C2)n2ncnc2n1 ZINC000175776523 442120049 /nfs/dbraw/zinc/12/00/49/442120049.db2.gz AAPSDVPKJYTJHK-LBPRGKRZSA-N 0 1 328.380 1.081 10 0 EDAEMN CCn1nccc1CN1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000121046955 442169967 /nfs/dbraw/zinc/16/99/67/442169967.db2.gz NHXGUMYDUZVSBC-GOSISDBHSA-N 0 1 335.496 1.130 10 0 EDAEMN CCO[C@@H]1C[C@H]([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)C12CCCC2 ZINC000121144789 442182529 /nfs/dbraw/zinc/18/25/29/442182529.db2.gz QGWXPYQNJMRPMQ-UONOGXRCSA-N 0 1 337.464 1.986 10 0 EDAEMN CC[C@H]1CN(C(=O)N[C@@H](C)CC(C)(C)OC)CCN1CCOC ZINC000175967438 442154912 /nfs/dbraw/zinc/15/49/12/442154912.db2.gz KUPNKIGCJUJHID-GJZGRUSLSA-N 0 1 329.485 1.942 10 0 EDAEMN CCOCCOc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170873432 442281035 /nfs/dbraw/zinc/28/10/35/442281035.db2.gz YIHOXCRDRKNMJW-AWEZNQCLSA-N 0 1 342.461 1.427 10 0 EDAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)CCc3ccoc3)CC2)C1 ZINC000177276713 442323860 /nfs/dbraw/zinc/32/38/60/442323860.db2.gz XOALPZCTNXNSLC-SFHVURJKSA-N 0 1 349.475 1.466 10 0 EDAEMN CCn1ncc2ccc(NC(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000177684784 442370491 /nfs/dbraw/zinc/37/04/91/442370491.db2.gz IRTKORKCAOWXIK-HNNXBMFYSA-N 0 1 341.415 1.301 10 0 EDAEMN O=C(Nc1ccccc1OCC1CC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000177686938 442371022 /nfs/dbraw/zinc/37/10/22/442371022.db2.gz QAWBEFKMFBCAMV-HNNXBMFYSA-N 0 1 343.427 1.721 10 0 EDAEMN COC(=O)c1ccc(CCNC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000171605298 442361680 /nfs/dbraw/zinc/36/16/80/442361680.db2.gz SXSZEBLZHAEWPI-QGZVFWFLSA-N 0 1 345.443 1.895 10 0 EDAEMN CC(C)N1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000130988273 442361709 /nfs/dbraw/zinc/36/17/09/442361709.db2.gz VNKLCLFVPWMHEE-WMZOPIPTSA-N 0 1 347.434 1.898 10 0 EDAEMN CCOCCN1CCN(C(=O)NCCCn2ccnc2)C[C@H]1CC ZINC000172113109 442410399 /nfs/dbraw/zinc/41/03/99/442410399.db2.gz JOGIWRRNTYVJCU-MRXNPFEDSA-N 0 1 337.468 1.416 10 0 EDAEMN CNC(=O)[C@H](NC(=O)NC[C@H](C)N1CCc2ccccc2C1)C(C)C ZINC000178398719 442430313 /nfs/dbraw/zinc/43/03/13/442430313.db2.gz HNWNIFOFWQBEMC-WMLDXEAASA-N 0 1 346.475 1.503 10 0 EDAEMN Cc1nc([C@@H]2CN(C(=O)NCCCc3ccccn3)CCO2)n[nH]1 ZINC000178428821 442432961 /nfs/dbraw/zinc/43/29/61/442432961.db2.gz YIIVUPGSLLMSMU-AWEZNQCLSA-N 0 1 330.392 1.224 10 0 EDAEMN CCC[C@@H](C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1)N(C)C ZINC000156932071 442535072 /nfs/dbraw/zinc/53/50/72/442535072.db2.gz RARSFJLMPIACJN-HNNXBMFYSA-N 0 1 344.419 1.052 10 0 EDAEMN CCC[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O)N(C)C ZINC000192289595 442626617 /nfs/dbraw/zinc/62/66/17/442626617.db2.gz BLDLXSIOBVNMSB-SJORKVTESA-N 0 1 331.460 1.942 10 0 EDAEMN Cc1nc(C)c(CCNC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)s1 ZINC000180760319 442657516 /nfs/dbraw/zinc/65/75/16/442657516.db2.gz COTHMKRKLFZBNE-VXGBXAGGSA-N 0 1 340.493 1.399 10 0 EDAEMN Cn1cc(CN2CCCN(Cc3nnc(C4CCC4)n3C)CC2)cn1 ZINC000181297373 442689315 /nfs/dbraw/zinc/68/93/15/442689315.db2.gz LQLFVJDODLAPJL-UHFFFAOYSA-N 0 1 343.479 1.524 10 0 EDAEMN Cc1nc([C@@H]2CN(CCC(=O)OCc3ccccc3)CCO2)n[nH]1 ZINC000181466018 442698769 /nfs/dbraw/zinc/69/87/69/442698769.db2.gz XQROLZRYVYUAEG-HNNXBMFYSA-N 0 1 330.388 1.620 10 0 EDAEMN CC(C)CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192579272 442665738 /nfs/dbraw/zinc/66/57/38/442665738.db2.gz BYQFXZGXHKUYCP-STQMWFEESA-N 0 1 341.477 1.535 10 0 EDAEMN CC[C@@H]1CN(C(=O)NCc2cccc(N(C)C)n2)CCN1C[C@@H](C)O ZINC000182049326 442731614 /nfs/dbraw/zinc/73/16/14/442731614.db2.gz UVMTWHWFMZIVQP-GDBMZVCRSA-N 0 1 349.479 1.134 10 0 EDAEMN 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CN(C)[C@H](Cc1ccccc1)C(=O)NC1CCC2(CC1)OCCO2 ZINC000106459069 441345246 /nfs/dbraw/zinc/34/52/46/441345246.db2.gz USHMTHWOAKRRGS-QGZVFWFLSA-N 0 1 332.444 1.961 10 0 EDAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1nnc2n1CCCCC2 ZINC000106903249 441386974 /nfs/dbraw/zinc/38/69/74/441386974.db2.gz HSWFZFHJOIJJLW-INIZCTEOSA-N 0 1 341.459 1.794 10 0 EDAEMN Cc1nc([C@H]2CN(CC(=O)N(C)Cc3ccc(F)cc3)CCO2)n[nH]1 ZINC000173660994 441818297 /nfs/dbraw/zinc/81/82/97/441818297.db2.gz KRKUMUCDFHLBLD-OAHLLOKOSA-N 0 1 347.394 1.284 10 0 EDAEMN Cc1nc([C@H]2CN(C(=O)COc3ccc(C)cc3C)CCO2)n[nH]1 ZINC000173528843 441780943 /nfs/dbraw/zinc/78/09/43/441780943.db2.gz JUMPKHCDCJSNKE-OAHLLOKOSA-N 0 1 330.388 1.709 10 0 EDAEMN Cc1nc([C@@H]2CN(C(=O)CSCc3ccncc3)CCO2)n[nH]1 ZINC000173539736 441783848 /nfs/dbraw/zinc/78/38/48/441783848.db2.gz QIPNJRYVFAPWOK-ZDUSSCGKSA-N 0 1 333.417 1.341 10 0 EDAEMN CN(C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116113238 441794674 /nfs/dbraw/zinc/79/46/74/441794674.db2.gz UMJQGKVYWAGNCT-SJLPKXTDSA-N 0 1 326.444 1.909 10 0 EDAEMN Cc1nc([C@@H]2CN(C(=O)c3csc(CC(C)C)n3)CCO2)n[nH]1 ZINC000173603016 441802374 /nfs/dbraw/zinc/80/23/74/441802374.db2.gz UZZPQYHDSYTYGA-LBPRGKRZSA-N 0 1 335.433 1.982 10 0 EDAEMN Cn1ccc(N2CCC[C@H](N3CCC(c4ccnn4C)CC3)C2=O)n1 ZINC000173605098 441802518 /nfs/dbraw/zinc/80/25/18/441802518.db2.gz FNIHJRLMWHNVPQ-INIZCTEOSA-N 0 1 342.447 1.529 10 0 EDAEMN C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173945707 441867262 /nfs/dbraw/zinc/86/72/62/441867262.db2.gz CZBSVUVXDQXLJO-QAPCUYQASA-N 0 1 349.450 1.752 10 0 EDAEMN CCCc1c(C(=O)N2CCO[C@H](CN(C)C)C2)[nH]c(C)c1C(C)=O ZINC000116785577 441845626 /nfs/dbraw/zinc/84/56/26/441845626.db2.gz GZVOLAJKMVQVDQ-CQSZACIVSA-N 0 1 335.448 1.881 10 0 EDAEMN CN1C(=O)COc2ccc(NC(=O)N3CCN4CCCC[C@@H]4C3)cc21 ZINC000174567696 441940635 /nfs/dbraw/zinc/94/06/35/441940635.db2.gz YXRVMFDEBSYCAF-CQSZACIVSA-N 0 1 344.415 1.744 10 0 EDAEMN CC[C@H]1CN(C(=O)c2cccc(C(=O)OC)c2)CCN1C[C@@H](C)O ZINC000174600455 441942504 /nfs/dbraw/zinc/94/25/04/441942504.db2.gz GDSWXMYGJOTXNR-CJNGLKHVSA-N 0 1 334.416 1.390 10 0 EDAEMN CCCCOCCCNC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000175294904 442035368 /nfs/dbraw/zinc/03/53/68/442035368.db2.gz CIMNBCPVNTXVNJ-CYBMUJFWSA-N 0 1 325.413 1.403 10 0 EDAEMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000175391724 442055175 /nfs/dbraw/zinc/05/51/75/442055175.db2.gz KUGCIILRVFZMFN-LBPRGKRZSA-N 0 1 330.425 1.939 10 0 EDAEMN CC[C@H](C)OCC(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000126680863 442133972 /nfs/dbraw/zinc/13/39/72/442133972.db2.gz YUNNAGCTXPBWFB-DLBZAZTESA-N 0 1 341.496 1.055 10 0 EDAEMN CCn1cc(CN2CCCN(C(=O)C[N@@H+](CC)C3CC3)CC2)cn1 ZINC000152273473 442191632 /nfs/dbraw/zinc/19/16/32/442191632.db2.gz BTTKWAKWJJJXDQ-UHFFFAOYSA-N 0 1 333.480 1.422 10 0 EDAEMN O=C1NC2(CCCC2)C(=O)N1CCN1CC[C@H](Oc2cccnc2)C1 ZINC000152529590 442222869 /nfs/dbraw/zinc/22/28/69/442222869.db2.gz UCGZOEPHXJHHDP-HNNXBMFYSA-N 0 1 344.415 1.399 10 0 EDAEMN C[C@@H](C(=O)NCc1ccccc1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177256212 442321471 /nfs/dbraw/zinc/32/14/71/442321471.db2.gz GQXJOXJTPUBAQR-RYRKJORJSA-N 0 1 331.460 1.344 10 0 EDAEMN C[C@H]1C[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C[C@@H]1N1CCOCC1 ZINC000177265828 442322663 /nfs/dbraw/zinc/32/26/63/442322663.db2.gz BMEATBOSTLPJHK-GUYCJALGSA-N 0 1 344.411 1.651 10 0 EDAEMN C[C@H]1C[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C[C@@H]1N1CCOCC1 ZINC000177265828 442322666 /nfs/dbraw/zinc/32/26/66/442322666.db2.gz BMEATBOSTLPJHK-GUYCJALGSA-N 0 1 344.411 1.651 10 0 EDAEMN C[C@@H]1CN(CCCNC(=O)N2CCC[C@@H]2Cn2ccnc2)C[C@@H](C)O1 ZINC000177378698 442333723 /nfs/dbraw/zinc/33/37/23/442333723.db2.gz OULXKNKOWIRHME-BRWVUGGUSA-N 0 1 349.479 1.556 10 0 EDAEMN CC[N@@H+]1CCC[C@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000171268734 442336347 /nfs/dbraw/zinc/33/63/47/442336347.db2.gz MGUOYJKCWZKTNO-AWEZNQCLSA-N 0 1 345.447 1.585 10 0 EDAEMN CC[N@H+]1CCC[C@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000171268734 442336349 /nfs/dbraw/zinc/33/63/49/442336349.db2.gz MGUOYJKCWZKTNO-AWEZNQCLSA-N 0 1 345.447 1.585 10 0 EDAEMN CN(Cc1nnc[nH]1)C[C@H](O)COc1cccc(Br)c1 ZINC000177154776 442306597 /nfs/dbraw/zinc/30/65/97/442306597.db2.gz ADMOEQXZKQFMDC-NSHDSACASA-N 0 1 341.209 1.439 10 0 EDAEMN CSC1(C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC000191604025 442474235 /nfs/dbraw/zinc/47/42/35/442474235.db2.gz ARTFERNTSIHEMN-OAHLLOKOSA-N 0 1 341.521 1.135 10 0 EDAEMN CSC1(C(=O)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)CC1 ZINC000191604025 442474241 /nfs/dbraw/zinc/47/42/41/442474241.db2.gz ARTFERNTSIHEMN-OAHLLOKOSA-N 0 1 341.521 1.135 10 0 EDAEMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172751323 442534252 /nfs/dbraw/zinc/53/42/52/442534252.db2.gz KKPAKPRDJGCTNE-OAHLLOKOSA-N 0 1 326.400 1.623 10 0 EDAEMN O=C(Cc1[nH]nc2ccccc21)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135284938 442575043 /nfs/dbraw/zinc/57/50/43/442575043.db2.gz NFTKGXXOMXBTHV-ZDUSSCGKSA-N 0 1 336.399 1.681 10 0 EDAEMN O=C(NC1CN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1)C1CC1 ZINC000186728390 442602640 /nfs/dbraw/zinc/60/26/40/442602640.db2.gz BDTARZXASVXKML-OAHLLOKOSA-N 0 1 346.431 1.337 10 0 EDAEMN CCc1nc([C@@H]2CN(C(=O)Cc3cc(F)ccc3OC)CCO2)n[nH]1 ZINC000186556427 442560827 /nfs/dbraw/zinc/56/08/27/442560827.db2.gz QYJXVAGSRIYVFH-AWEZNQCLSA-N 0 1 348.378 1.657 10 0 EDAEMN COCCOC[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000173150543 442611892 /nfs/dbraw/zinc/61/18/92/442611892.db2.gz IIQPEONJISRWEA-QZTJIDSGSA-N 0 1 334.460 1.671 10 0 EDAEMN COC[C@@H](C)NC(=O)NC(=O)CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000181340230 442691376 /nfs/dbraw/zinc/69/13/76/442691376.db2.gz LRLMQXKYRKMRBX-NEPJUHHUSA-N 0 1 325.384 1.645 10 0 EDAEMN CC[C@H]1CN(C(=O)c2c[nH]c(=O)c3ccccc23)CCN1C[C@@H](C)O ZINC000187868830 442696031 /nfs/dbraw/zinc/69/60/31/442696031.db2.gz SXHRUQNJQJFIQP-KGLIPLIRSA-N 0 1 343.427 1.445 10 0 EDAEMN CCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000192579221 442664882 /nfs/dbraw/zinc/66/48/82/442664882.db2.gz SNFYYACSVYKGHM-VXGBXAGGSA-N 0 1 327.450 1.289 10 0 EDAEMN CCc1nc([C@@H]2CN(C(=O)NC[C@H]3CCC(C)(C)O3)CCO2)n[nH]1 ZINC000188225485 442726616 /nfs/dbraw/zinc/72/66/16/442726616.db2.gz HJNJETSOSXQQAO-NEPJUHHUSA-N 0 1 337.424 1.408 10 0 EDAEMN CC[C@@H]1CN(C(=O)NCC[C@@H]2CCCCO2)CCN1C[C@@H](C)O ZINC000182160495 442740801 /nfs/dbraw/zinc/74/08/01/442740801.db2.gz KSYBCOABTCYNID-OAGGEKHMSA-N 0 1 327.469 1.432 10 0 EDAEMN CCc1nc([C@H]2CN(C(=O)c3cn(C(C)(C)C)nc3C)CCO2)n[nH]1 ZINC000182482411 442774079 /nfs/dbraw/zinc/77/40/79/442774079.db2.gz GRQLFZCVTNSGJQ-CYBMUJFWSA-N 0 1 346.435 1.841 10 0 EDAEMN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246422215 442781155 /nfs/dbraw/zinc/78/11/55/442781155.db2.gz KRZPKRQUKRWKEO-WKULXVSPSA-N 0 1 337.508 1.532 10 0 EDAEMN CC(=O)c1cc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)ccc1C ZINC000194220368 442863203 /nfs/dbraw/zinc/86/32/03/442863203.db2.gz ZUDVKHVYHFLOEW-HNNXBMFYSA-N 0 1 328.372 1.838 10 0 EDAEMN CC[C@@H]1CN(C(=O)NC[C@H](C)Oc2ccccc2)CCN1C[C@@H](C)O ZINC000248442364 442892233 /nfs/dbraw/zinc/89/22/33/442892233.db2.gz AMSSZJOXHCFZEX-IXDOHACOSA-N 0 1 349.475 1.941 10 0 EDAEMN CCN(CC)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CC)C2)cn1 ZINC000194155488 442853279 /nfs/dbraw/zinc/85/32/79/442853279.db2.gz RGSSRWGFUFRDKQ-OAHLLOKOSA-N 0 1 347.463 1.467 10 0 EDAEMN C[C@@H](NC(=O)CN[C@@H]1c2ccccc2CCC1(C)C)C(=O)N(C)C ZINC000183206550 318520627 /nfs/dbraw/zinc/52/06/27/318520627.db2.gz RESFBZMWASVVJF-CXAGYDPISA-N 0 1 331.460 1.883 10 0 EDAEMN CCS(=O)(=O)C1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CC1 ZINC000248747856 442924071 /nfs/dbraw/zinc/92/40/71/442924071.db2.gz GGXXPGHZRPONLJ-HIFRSBDPSA-N 0 1 345.509 1.324 10 0 EDAEMN COC(=O)[C@@]1(C)CCCN1CCCN1CCC[C@]1(C)C(=O)OC ZINC000249568050 442988552 /nfs/dbraw/zinc/98/85/52/442988552.db2.gz NMOMSGGTKSUJKG-IAGOWNOFSA-N 0 1 326.437 1.432 10 0 EDAEMN Cc1ccn(C)c1C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000189717116 442998100 /nfs/dbraw/zinc/99/81/00/442998100.db2.gz ANBBWFVMOFSVJK-QGZVFWFLSA-N 0 1 348.491 1.201 10 0 EDAEMN COC[C@@H]1CN(Cc2ccc(Br)o2)C[C@H]1C(=O)N(C)C ZINC000257187467 443119759 /nfs/dbraw/zinc/11/97/59/443119759.db2.gz LSRNGNRTTGPUPR-CMPLNLGQSA-N 0 1 345.237 1.825 10 0 EDAEMN CCOc1cccc(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)C3CCC3)C2)c1 ZINC000257186796 443119785 /nfs/dbraw/zinc/11/97/85/443119785.db2.gz KTQLWGWOUWQSKM-FUHWJXTLSA-N 0 1 332.444 1.794 10 0 EDAEMN CCOc1cccc(CN2C[C@@H](CO)[C@H](NC(=O)C3CCC3)C2)c1 ZINC000257186796 443119786 /nfs/dbraw/zinc/11/97/86/443119786.db2.gz KTQLWGWOUWQSKM-FUHWJXTLSA-N 0 1 332.444 1.794 10 0 EDAEMN CC[C@@H](O)CN1CCN(Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000191346543 443281922 /nfs/dbraw/zinc/28/19/22/443281922.db2.gz UQQPOFUFLQGBBS-QGZVFWFLSA-N 0 1 336.480 1.053 10 0 EDAEMN COC(=O)c1sccc1S(=O)(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246080661 443265933 /nfs/dbraw/zinc/26/59/33/443265933.db2.gz GRYRQKRJENNFRO-GHMZBOCLSA-N 0 1 346.474 1.542 10 0 EDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)NCC[C@H]2CCOC2)[N@@H+]1Cc1ccccc1 ZINC000630654418 451305049 /nfs/dbraw/zinc/30/50/49/451305049.db2.gz VRVXMSYTVLOUJU-ULQDDVLXSA-N 0 1 346.427 1.647 10 0 EDAEMN O=C([O-])[C@@H]1CC[C@@H](C(=O)NCC[C@H]2CCOC2)[N@H+]1Cc1ccccc1 ZINC000630654418 451305052 /nfs/dbraw/zinc/30/50/52/451305052.db2.gz VRVXMSYTVLOUJU-ULQDDVLXSA-N 0 1 346.427 1.647 10 0 EDAEMN CCc1noc([C@@H](C)N2CCN(C(=O)c3ccc(CN)o3)CC2)n1 ZINC000168137061 486508296 /nfs/dbraw/zinc/50/82/96/486508296.db2.gz MBHGECVGTOMFGH-LLVKDONJSA-N 0 1 333.392 1.203 10 0 EDAEMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000670145770 486641122 /nfs/dbraw/zinc/64/11/22/486641122.db2.gz GGBKUFBDPRNKSM-MRVPVSSYSA-N 0 1 330.310 1.668 10 0 EDAEMN Cc1nc([C@H]2CN([C@@H](C)C(=O)N(C)C3CCCCC3)CCO2)n[nH]1 ZINC000173356949 500997652 /nfs/dbraw/zinc/99/76/52/500997652.db2.gz DHSWPYBSAOAMEH-SWLSCSKDSA-N 0 1 335.452 1.666 10 0 EDAEMN C[C@@H](CN(C)C)NS(=O)(=O)c1cc(C(N)=S)ccc1Cl ZINC000168824693 533736514 /nfs/dbraw/zinc/73/65/14/533736514.db2.gz NPNGPIDYHAIGDW-QMMMGPOBSA-N 0 1 335.882 1.203 10 0 EDAEMN O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000154146756 534800334 /nfs/dbraw/zinc/80/03/34/534800334.db2.gz ZKVWHDCUHRTXDF-PWSUYJOCSA-N 0 1 333.413 1.493 10 0 EDAEMN CCCCn1cc(C(=O)N2CCO[C@@H](c3n[nH]c(CC)n3)C2)c(C)n1 ZINC000185928463 529075355 /nfs/dbraw/zinc/07/53/55/529075355.db2.gz LDXJOIREIUYGKN-CQSZACIVSA-N 0 1 346.435 1.886 10 0 EDAEMN CC[C@H]1CN(C(=O)NC[C@@H](C)c2nccs2)CCN1CCOC ZINC000187019189 529273680 /nfs/dbraw/zinc/27/36/80/529273680.db2.gz TUOGCTYKEZSXSP-KGLIPLIRSA-N 0 1 340.493 1.999 10 0 EDAEMN CC[C@@H]1CN(C(=O)COc2cccc(OC)c2)CCN1C[C@@H](C)O ZINC000174623381 529363717 /nfs/dbraw/zinc/36/37/17/529363717.db2.gz FWHRVUBEMYVIRK-HUUCEWRRSA-N 0 1 336.432 1.378 10 0 EDAEMN CC(C)N1CCO[C@@H](CN2CCN([C@H](C)c3ccccn3)CC2)C1 ZINC000246405628 535215484 /nfs/dbraw/zinc/21/54/84/535215484.db2.gz QYCPHUCLDARYGC-MSOLQXFVSA-N 0 1 332.492 1.869 10 0 EDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)Cc3ccoc3)CC2)C1 ZINC000124272597 535220942 /nfs/dbraw/zinc/22/09/42/535220942.db2.gz DBRYJMRKKAZNIF-QGZVFWFLSA-N 0 1 335.448 1.076 10 0 EDAEMN CCN(CC)c1ncc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)s1 ZINC000245773356 535691647 /nfs/dbraw/zinc/69/16/47/535691647.db2.gz SFLYAMZJDXBOAR-KBPBESRZSA-N 0 1 326.510 1.876 10 0 EDAEMN CC[C@H]1CN(C(=O)NCc2cc(C)cc(OC)c2)CCN1C[C@H](C)O ZINC000248502431 536120632 /nfs/dbraw/zinc/12/06/32/536120632.db2.gz UFEWIOUXDMYGGH-RDJZCZTQSA-N 0 1 349.475 1.990 10 0 EDAEMN CC[C@H]1CN(CC(=O)Nc2cc(C)ccc2OC)CCN1C[C@H](C)O ZINC000247402566 536132093 /nfs/dbraw/zinc/13/20/93/536132093.db2.gz YQXUNGCBAZBCCW-HOTGVXAUSA-N 0 1 349.475 1.719 10 0 EDAEMN CN(CCCNC(=O)CN1CCN2CCCC[C@H]2C1)c1ccccc1 ZINC000248357392 536353773 /nfs/dbraw/zinc/35/37/73/536353773.db2.gz PLWBXLSWKDPCMH-IBGZPJMESA-N 0 1 344.503 1.799 10 0 EDAEMN CO[C@@H]1CCCCN(CC(=O)N2CCC(c3cc(C)[nH]n3)CC2)C1=O ZINC000888076050 590929498 /nfs/dbraw/zinc/92/94/98/590929498.db2.gz SBZMIHWIYHZECJ-MRXNPFEDSA-N 0 1 348.447 1.452 10 0 EDAEMN C[C@@H]1CNC[C@H](c2nc(CC(=O)NCc3ccccc3F)no2)O1 ZINC000888078425 590935566 /nfs/dbraw/zinc/93/55/66/590935566.db2.gz QKCKMWCYQOGBDV-ZWNOBZJWSA-N 0 1 334.351 1.117 10 0 EDAEMN Cc1noc(C[C@@]2(O)CCCN(Cc3cccc4c3OCO4)C2)n1 ZINC000888079030 590935648 /nfs/dbraw/zinc/93/56/48/590935648.db2.gz YKQKPLNRSSMMKK-KRWDZBQOSA-N 0 1 331.372 1.676 10 0 EDAEMN Cc1oc2ccccc2c1C(=O)N1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC000862939234 596460011 /nfs/dbraw/zinc/46/00/11/596460011.db2.gz ZJJSVZRBDCOLJH-CABCVRRESA-N 0 1 339.399 1.960 10 0 EDAEMN CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)CCN1C[C@@H](C)O ZINC000174624112 529374983 /nfs/dbraw/zinc/37/49/83/529374983.db2.gz FBWDVJWXPGLDNH-KBAYOESNSA-N 0 1 333.476 1.593 10 0 EDAEMN CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000053244804 214172633 /nfs/dbraw/zinc/17/26/33/214172633.db2.gz FZCFASUXNMJBFK-SNVBAGLBSA-N 0 1 332.447 1.090 10 0 EDAEMN CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000053244804 214172636 /nfs/dbraw/zinc/17/26/36/214172636.db2.gz FZCFASUXNMJBFK-SNVBAGLBSA-N 0 1 332.447 1.090 10 0 EDAEMN Cc1nc([C@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CCO2)n[nH]1 ZINC000173736018 231019277 /nfs/dbraw/zinc/01/92/77/231019277.db2.gz XHZXAMGSUCHBGI-GFCCVEGCSA-N 0 1 342.808 1.529 10 0 EDAEMN C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000174995775 231362295 /nfs/dbraw/zinc/36/22/95/231362295.db2.gz LQBBWGBQIBUAEC-MRXNPFEDSA-N 0 1 348.424 1.966 10 0 EDAEMN CCc1ccccc1NC(=O)[C@@H](C)N1CCN(C[C@@H](O)CC)CC1 ZINC000174076426 529598464 /nfs/dbraw/zinc/59/84/64/529598464.db2.gz URCCWSDNPCSSSA-WBVHZDCISA-N 0 1 333.476 1.965 10 0 EDAEMN CCc1nc([C@@H]2CN(C(=O)NCCc3ccc(F)cc3)CCO2)n[nH]1 ZINC000178012584 529699048 /nfs/dbraw/zinc/69/90/48/529699048.db2.gz BHEBBIYXLCGQOC-AWEZNQCLSA-N 0 1 347.394 1.832 10 0 EDAEMN CCc1nc([C@H]2CN(S(=O)(=O)c3ccccc3F)CCO2)n[nH]1 ZINC000173740706 529702028 /nfs/dbraw/zinc/70/20/28/529702028.db2.gz KISFWDVUOOOBRR-LLVKDONJSA-N 0 1 340.380 1.268 10 0 EDAEMN CCc1nc([C@H]2CN(c3nccc(C(F)(F)F)n3)CCO2)n[nH]1 ZINC000131584621 529702346 /nfs/dbraw/zinc/70/23/46/529702346.db2.gz NBBUSQPGCHBCAZ-MRVPVSSYSA-N 0 1 328.298 1.754 10 0 EDAEMN CC[C@H](O)CN1CCN(CC(=O)N(CC(C)C)CC(C)C)CC1 ZINC000174084229 529700717 /nfs/dbraw/zinc/70/07/17/529700717.db2.gz OFKWYISMHDFBPO-KRWDZBQOSA-N 0 1 327.513 1.516 10 0 EDAEMN Cn1cnc2c1[C@]1(CCN(C(=O)OCc3ccccc3)C1)NCC2 ZINC000725242847 539382048 /nfs/dbraw/zinc/38/20/48/539382048.db2.gz ZTYGXENQUSWNIT-GOSISDBHSA-N 0 1 326.400 1.804 10 0 EDAEMN CNCc1cc(S(=O)(=O)NC2(C)CCC2)c(Br)o1 ZINC000168592835 530005187 /nfs/dbraw/zinc/00/51/87/530005187.db2.gz MPJGFSDWXHEGAL-UHFFFAOYSA-N 0 1 337.239 1.982 10 0 EDAEMN CC(C)CNC(=O)N[C@@H]1CCN(Cc2cnc(N)s2)C[C@H]1C ZINC000725273047 539403065 /nfs/dbraw/zinc/40/30/65/539403065.db2.gz YGRGLHVHHHBPOR-DGCLKSJQSA-N 0 1 325.482 1.891 10 0 EDAEMN COc1nccnc1N1CC[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000097942342 539574147 /nfs/dbraw/zinc/57/41/47/539574147.db2.gz QLMBZGWCCTVFKJ-NSHDSACASA-N 0 1 342.403 1.096 10 0 EDAEMN CCN1CCC[C@H](NS(=O)(=O)c2cc(N)c(C)c(Cl)c2)C1 ZINC000040501832 213324022 /nfs/dbraw/zinc/32/40/22/213324022.db2.gz AHEVYEXBILBVNR-NSHDSACASA-N 0 1 331.869 1.993 10 0 EDAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000105818205 535222608 /nfs/dbraw/zinc/22/26/08/535222608.db2.gz QKIVSGHLIOLHFK-MRXNPFEDSA-N 0 1 325.497 1.676 10 0 EDAEMN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(CC2CC2)CC1 ZINC000088754747 138272709 /nfs/dbraw/zinc/27/27/09/138272709.db2.gz LASKUHYPGPGFAX-CQSZACIVSA-N 0 1 332.452 1.413 10 0 EDAEMN CC(C)CCNC(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000117468719 138312388 /nfs/dbraw/zinc/31/23/88/138312388.db2.gz JCBFUMGCKRXLGI-KRWDZBQOSA-N 0 1 340.512 1.469 10 0 EDAEMN C[C@@H]1CC[C@@H](C(=O)NCCN2CCN(Cc3ccccc3)CC2)O1 ZINC000124594413 138328031 /nfs/dbraw/zinc/32/80/31/138328031.db2.gz BMOWULLKGSOZCQ-AEFFLSMTSA-N 0 1 331.460 1.488 10 0 EDAEMN CCN1CCN([C@@H](CNS(=O)(=O)CC)c2ccccc2)CC1 ZINC000036089580 213062205 /nfs/dbraw/zinc/06/22/05/213062205.db2.gz OSVDNFINQFVTNS-INIZCTEOSA-N 0 1 325.478 1.305 10 0 EDAEMN CC(=O)Nc1nc(C(=O)[O-])c(C[N@@H+](C)CCc2ccncc2)s1 ZINC000036317354 213084338 /nfs/dbraw/zinc/08/43/38/213084338.db2.gz YCPMCUFWWSLWQL-UHFFFAOYSA-N 0 1 334.401 1.869 10 0 EDAEMN C[C@H]1COC[C@H](C)N1C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000073923125 216435480 /nfs/dbraw/zinc/43/54/80/216435480.db2.gz PCQCPXWAEOVNRW-HOTGVXAUSA-N 0 1 331.460 1.683 10 0 EDAEMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CNC(=O)C1 ZINC000194860463 139001357 /nfs/dbraw/zinc/00/13/57/139001357.db2.gz DZDFSSDFSOFQHR-CYBMUJFWSA-N 0 1 335.835 1.557 10 0 EDAEMN O=C(Nc1ccccc1I)[C@@H]1CNCCO1 ZINC000043707889 213593420 /nfs/dbraw/zinc/59/34/20/213593420.db2.gz YVDDBFJDXVEPCQ-JTQLQIEISA-N 0 1 332.141 1.218 10 0 EDAEMN CCOCCN1CCN(CC(=O)NCc2cccnc2)C[C@@H]1CC ZINC000111228226 220115243 /nfs/dbraw/zinc/11/52/43/220115243.db2.gz KHBYVVPERYQXKD-KRWDZBQOSA-N 0 1 334.464 1.131 10 0 EDAEMN CC[C@H]1CN(CC(=O)NCc2cccc(C)c2)CCN1CCOC 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O=C(c1c[nH]c(=O)c(Br)c1)N1CCN2CCCC[C@@H]2C1 ZINC000173300957 441708657 /nfs/dbraw/zinc/70/86/57/441708657.db2.gz CPSHCUDBVGYLKE-LLVKDONJSA-N 0 1 340.221 1.448 10 0 EDAEMN Cc1nc([C@@H]2CN([C@@H](C)C(=O)NCC3CCCCC3)CCO2)n[nH]1 ZINC000173353924 441722776 /nfs/dbraw/zinc/72/27/76/441722776.db2.gz AGOSZYMKZVRVCC-WFASDCNBSA-N 0 1 335.452 1.571 10 0 EDAEMN CCc1ccccc1NC(=O)CN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000173661138 441818100 /nfs/dbraw/zinc/81/81/00/441818100.db2.gz KMVMALHXLAFDSW-HNNXBMFYSA-N 0 1 329.404 1.688 10 0 EDAEMN Cc1nc([C@H]2CN(CC(=O)Nc3ccc(Cl)cc3)CCO2)n[nH]1 ZINC000173663199 441818115 /nfs/dbraw/zinc/81/81/15/441818115.db2.gz QLEPLVCHOMIKMR-CYBMUJFWSA-N 0 1 335.795 1.779 10 0 EDAEMN Cc1nc([C@H]2CN(C(=O)c3cnc4onc(C)c4c3)CCO2)n[nH]1 ZINC000173527245 441778527 /nfs/dbraw/zinc/77/85/27/441778527.db2.gz JNMHRODHXLDLRQ-GFCCVEGCSA-N 0 1 328.332 1.171 10 0 EDAEMN CCOc1ccc(CC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000173548074 441787609 /nfs/dbraw/zinc/78/76/09/441787609.db2.gz WQTBYHDSXNWBDH-HNNXBMFYSA-N 0 1 330.388 1.654 10 0 EDAEMN CCc1nc([C@H]2CN(C(=O)NCc3ncccc3C)CCO2)n[nH]1 ZINC000138993130 441802061 /nfs/dbraw/zinc/80/20/61/441802061.db2.gz ICSAPWXBFSWPJT-CYBMUJFWSA-N 0 1 330.392 1.354 10 0 EDAEMN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCc1cn[nH]c1C ZINC000173688798 441824592 /nfs/dbraw/zinc/82/45/92/441824592.db2.gz XCMBEFLULLAJPX-OAHLLOKOSA-N 0 1 335.452 1.693 10 0 EDAEMN CCc1nc([C@@H]2CN(C(=O)NCCCCSC)CCO2)n[nH]1 ZINC000141346470 441850352 /nfs/dbraw/zinc/85/03/52/441850352.db2.gz DHCCCCCJNFFLTN-NSHDSACASA-N 0 1 327.454 1.593 10 0 EDAEMN CCc1nc([C@@H]2CN(C(=O)N[C@@H](CC)c3ccncc3)CCO2)n[nH]1 ZINC000119047243 441913690 /nfs/dbraw/zinc/91/36/90/441913690.db2.gz YTYRYFARNWDHPN-KBPBESRZSA-N 0 1 344.419 1.996 10 0 EDAEMN CC[C@@H]1CN([C@@H]2CCN(c3ccc(C)cc3)C2=O)CCN1C[C@@H](C)O ZINC000119150669 441920003 /nfs/dbraw/zinc/92/00/03/441920003.db2.gz XWLHBXWWGLPNHU-ZHALLVOQSA-N 0 1 345.487 1.877 10 0 EDAEMN CC[C@@H]1CN(C(=O)CCc2nc(C(C)C)no2)CCN1C[C@@H](C)O ZINC000174615018 441944192 /nfs/dbraw/zinc/94/41/92/441944192.db2.gz LXWPHKGBEHDCHD-ZIAGYGMSSA-N 0 1 338.452 1.429 10 0 EDAEMN Cc1nc([C@H]2CN(C(=O)NCCc3cccc(O)c3)CCO2)n[nH]1 ZINC000175488973 442072877 /nfs/dbraw/zinc/07/28/77/442072877.db2.gz HSEXJTSIHFFSLP-CQSZACIVSA-N 0 1 331.376 1.144 10 0 EDAEMN C[C@H](NC(=O)[C@H](N)CCS(C)(=O)=O)c1ccc(F)cc1Cl ZINC000163612893 442176452 /nfs/dbraw/zinc/17/64/52/442176452.db2.gz HDHSXOXLOYANPN-QPUJVOFHSA-N 0 1 336.816 1.418 10 0 EDAEMN C[C@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)CC1(C)OCCO1 ZINC000152928570 442251363 /nfs/dbraw/zinc/25/13/63/442251363.db2.gz UNGKFTPCNUBSBZ-LSDHHAIUSA-N 0 1 325.453 1.655 10 0 EDAEMN Cc1cccc(N2CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)CC2)c1C ZINC000170241141 442229907 /nfs/dbraw/zinc/22/99/07/442229907.db2.gz KYAWKMVCEDQGOD-HNNXBMFYSA-N 0 1 339.443 1.875 10 0 EDAEMN Cc1cccc(N2CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)CC2)c1C ZINC000170241141 442229910 /nfs/dbraw/zinc/22/99/10/442229910.db2.gz KYAWKMVCEDQGOD-HNNXBMFYSA-N 0 1 339.443 1.875 10 0 EDAEMN CCn1cc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccccc2)cn1 ZINC000127879365 442230858 /nfs/dbraw/zinc/23/08/58/442230858.db2.gz ZXOBLZFEZNYWAE-HNNXBMFYSA-N 0 1 329.404 1.261 10 0 EDAEMN CN(C)[C@@H](CNC(=O)N[C@@H]1CCCn2ncnc21)c1cccs1 ZINC000176696899 442247300 /nfs/dbraw/zinc/24/73/00/442247300.db2.gz SMPJXMGAJDOWAD-NEPJUHHUSA-N 0 1 334.449 1.777 10 0 EDAEMN CCCOC(=O)c1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170873456 442280915 /nfs/dbraw/zinc/28/09/15/442280915.db2.gz ZUAIBJMHCFGEIF-AWEZNQCLSA-N 0 1 340.445 1.578 10 0 EDAEMN O=C(NCCN1CCc2ccccc2C1)NC[C@@H]1CCCC[C@@H]1O ZINC000153473461 442284723 /nfs/dbraw/zinc/28/47/23/442284723.db2.gz HGFAIZHTNOCSHU-WMZOPIPTSA-N 0 1 331.460 1.895 10 0 EDAEMN CC(=O)N[C@@H]1CCCN(Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000153892350 442309440 /nfs/dbraw/zinc/30/94/40/442309440.db2.gz XFVGDWWZNYORJC-MRXNPFEDSA-N 0 1 333.432 1.254 10 0 EDAEMN O=C(Cn1cc(-c2ccccc2)nn1)N1CCN2CCCC[C@H]2C1 ZINC000178052146 442404412 /nfs/dbraw/zinc/40/44/12/442404412.db2.gz AOCLVTKQJKGHQF-INIZCTEOSA-N 0 1 325.416 1.642 10 0 EDAEMN CCOc1ccc(NC(=O)CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000171904716 442389324 /nfs/dbraw/zinc/38/93/24/442389324.db2.gz VSBKOQSSFZSFOS-OAHLLOKOSA-N 0 1 346.431 1.513 10 0 EDAEMN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1nnc[nH]1 ZINC000172616459 442505680 /nfs/dbraw/zinc/50/56/80/442505680.db2.gz OXLONWLSTBGMEK-AWEZNQCLSA-N 0 1 349.822 1.871 10 0 EDAEMN CN(C(=O)c1cc(F)ccc1[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000179557628 442474103 /nfs/dbraw/zinc/47/41/03/442474103.db2.gz MBRQXHKKFVKKTA-UHFFFAOYSA-N 0 1 346.406 1.964 10 0 EDAEMN Cc1sc2ncc(C(=O)N3CCN4CCCC[C@@H]4C3)c(=O)n2c1C ZINC000180051505 442534037 /nfs/dbraw/zinc/53/40/37/442534037.db2.gz QLCZZGDVXRVIIM-CYBMUJFWSA-N 0 1 346.456 1.683 10 0 EDAEMN CCc1nn(C)c(OC)c1CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000180154287 442548330 /nfs/dbraw/zinc/54/83/30/442548330.db2.gz PFSUCUSIIINKCY-QGZVFWFLSA-N 0 1 344.459 1.780 10 0 EDAEMN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCCCc2cn[nH]c2C)C1 ZINC000191979319 442553231 /nfs/dbraw/zinc/55/32/31/442553231.db2.gz BMYFUWRDZVJDIN-UONOGXRCSA-N 0 1 348.407 1.514 10 0 EDAEMN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1nnc[nH]1 ZINC000172645730 442513284 /nfs/dbraw/zinc/51/32/84/442513284.db2.gz UYTNEQBOKGVEMA-IUODEOHRSA-N 0 1 329.404 1.608 10 0 EDAEMN Cc1ncc(CN2CCN(C(=O)[C@H](N)c3ccccc3)CC2)s1 ZINC000178882913 442513307 /nfs/dbraw/zinc/51/33/07/442513307.db2.gz ROBZGPKSEIROHJ-MRXNPFEDSA-N 0 1 330.457 1.796 10 0 EDAEMN CCOC[C@H](NC(=O)N1CCO[C@@H](c2n[nH]c(CC)n2)C1)C(C)C ZINC000191808348 442515322 /nfs/dbraw/zinc/51/53/22/442515322.db2.gz HWPFLPTYCSBNSX-QWHCGFSZSA-N 0 1 339.440 1.511 10 0 EDAEMN COC(=O)[C@@]1(C)CCCN1CCCN1CCC[C@@]1(C)C(=O)OC ZINC000186399333 442526870 /nfs/dbraw/zinc/52/68/70/442526870.db2.gz NMOMSGGTKSUJKG-CALCHBBNSA-N 0 1 326.437 1.432 10 0 EDAEMN C[C@@H]1CCC[C@@H](NC(=O)CN2CCC([N@@H+](C)CC(=O)[O-])CC2)[C@@H]1C ZINC000186677206 442588948 /nfs/dbraw/zinc/58/89/48/442588948.db2.gz BEGOUNDRWNUANL-IIAWOOMASA-N 0 1 339.480 1.408 10 0 EDAEMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N[C@H]1CCCC[C@@H]1CO ZINC000179249305 442605274 /nfs/dbraw/zinc/60/52/74/442605274.db2.gz OTWUVWOWQCNNIE-OCCSQVGLSA-N 0 1 344.415 1.350 10 0 EDAEMN CCc1ccc(NC(=O)C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000180226445 442561624 /nfs/dbraw/zinc/56/16/24/442561624.db2.gz DLASJIAEZLFIDP-AWEZNQCLSA-N 0 1 343.387 1.214 10 0 EDAEMN CC[C@H]1CN([C@@H]2CCc3ccccc3NC2=O)CCN1CCOC ZINC000192001682 442561945 /nfs/dbraw/zinc/56/19/45/442561945.db2.gz NRGYOWHMMFGFCB-FUHWJXTLSA-N 0 1 331.460 1.983 10 0 EDAEMN CC(C)[C@H](C)NC(=O)CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000181565332 442703809 /nfs/dbraw/zinc/70/38/09/442703809.db2.gz BAWVDGDZSWDOHN-RYUDHWBXSA-N 0 1 327.450 1.145 10 0 EDAEMN CC(C)N1C[C@H](NS(=O)(=O)c2cnn(CC(F)F)c2)[C@@H](C)C1 ZINC000187233890 442662580 /nfs/dbraw/zinc/66/25/80/442662580.db2.gz LPTGYQBHNGVXRW-JQWIXIFHSA-N 0 1 336.408 1.155 10 0 EDAEMN CC[C@@H]1CN(C(=O)NCCc2c(C)noc2C)CCN1C[C@@H](C)O ZINC000181727822 442712978 /nfs/dbraw/zinc/71/29/78/442712978.db2.gz IRKVCECHSVLVFJ-IUODEOHRSA-N 0 1 338.452 1.321 10 0 EDAEMN Cc1ccc(N2CCC[C@H](N3CC[C@@H](N4CCOCC4)C3)C2=O)cc1 ZINC000246906829 442820733 /nfs/dbraw/zinc/82/07/33/442820733.db2.gz HZSZBWRZBCTTMI-MOPGFXCFSA-N 0 1 343.471 1.897 10 0 EDAEMN CC[C@@H]1CN(C(=O)/C=C/c2ccc(OC)c(O)c2)CCN1C[C@H](C)O ZINC000248504107 442897489 /nfs/dbraw/zinc/89/74/89/442897489.db2.gz VHGJOCXGJXLEIS-AFDQWNBZSA-N 0 1 348.443 1.718 10 0 EDAEMN C[C@H](O)CN1CCN(C(=O)N[C@H](CCCO)c2ccccc2)C[C@H]1C ZINC000248648406 442913047 /nfs/dbraw/zinc/91/30/47/442913047.db2.gz UBNCKQINBOQUDP-SOLBZPMBSA-N 0 1 349.475 1.597 10 0 EDAEMN CN(C)c1ccncc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000183283379 442917437 /nfs/dbraw/zinc/91/74/37/442917437.db2.gz MNMCZPBVIRNAAC-AWEZNQCLSA-N 0 1 345.424 1.796 10 0 EDAEMN NS(=O)(=O)c1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000195224278 442998432 /nfs/dbraw/zinc/99/84/32/442998432.db2.gz LRDCARZNCOGHCK-CYBMUJFWSA-N 0 1 338.433 1.036 10 0 EDAEMN CCN(CC)[C@H](C(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000189463654 442960734 /nfs/dbraw/zinc/96/07/34/442960734.db2.gz BWWYMJUKPFKTLJ-KRWDZBQOSA-N 0 1 329.444 1.807 10 0 EDAEMN CC1=C(C(=O)N2CCN3CCCC[C@H]3C2)[C@H](C)n2ncnc2N1C ZINC000249376723 442969371 /nfs/dbraw/zinc/96/93/71/442969371.db2.gz UGHSPUIRBICJDU-KBPBESRZSA-N 0 1 330.436 1.260 10 0 EDAEMN Cn1c(=O)c2ccc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2[n-]c1=S ZINC000195321868 443009388 /nfs/dbraw/zinc/00/93/88/443009388.db2.gz HHVBTLGQVLLPKT-GFCCVEGCSA-N 0 1 344.440 1.142 10 0 EDAEMN CC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]2CCO)CCN1C[C@H](C)O ZINC000251854668 443019180 /nfs/dbraw/zinc/01/91/80/443019180.db2.gz QVFYLWRZCICHNI-CAOSSQGBSA-N 0 1 327.469 1.024 10 0 EDAEMN CCCCN1CCOC[C@@H]1C(=O)NCCN1CCc2ccccc2C1 ZINC000184237418 443004889 /nfs/dbraw/zinc/00/48/89/443004889.db2.gz TWJAESCUWKPMPH-LJQANCHMSA-N 0 1 345.487 1.662 10 0 EDAEMN OC[C@H]1C[C@@H](O)CN1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000185183673 443156468 /nfs/dbraw/zinc/15/64/68/443156468.db2.gz 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C[C@H](NCC(=O)NCc1ccc(OCC(N)=O)cc1)c1cccs1 ZINC000182555960 442786252 /nfs/dbraw/zinc/78/62/52/442786252.db2.gz ITDKGNVJMZJPFE-LBPRGKRZSA-N 0 1 347.440 1.579 10 0 EDAEMN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246422210 442780351 /nfs/dbraw/zinc/78/03/51/442780351.db2.gz KRZPKRQUKRWKEO-MDMSPXHWSA-N 0 1 337.508 1.532 10 0 EDAEMN C[C@H](O)CN1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)C[C@H]1C ZINC000247142433 442838340 /nfs/dbraw/zinc/83/83/40/442838340.db2.gz ZTTIBFKXWYJTOD-VYDXJSESSA-N 0 1 333.432 1.399 10 0 EDAEMN CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CC[N@H+]1C[C@H](C)O ZINC000247262640 442843931 /nfs/dbraw/zinc/84/39/31/442843931.db2.gz XRNIMCWSGVTNNW-AAEUAGOBSA-N 0 1 326.824 1.963 10 0 EDAEMN CC[C@@H]1CN(C(=O)N[C@@H](C)c2cn(C)nc2C)CCN1C[C@H](C)O ZINC000248502859 442897857 /nfs/dbraw/zinc/89/78/57/442897857.db2.gz ULLDXFDAXBYJAB-KCQAQPDRSA-N 0 1 337.468 1.276 10 0 EDAEMN Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c(C)c1C(=O)[O-] ZINC000248865067 442931840 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