smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C1CC1)N(Cc1cncs1)Cc1ccccc1 ZINC000159672780 261191575 /nfs/dbraw/zinc/19/15/75/261191575.db2.gz ZVBVVWHZGBAUPT-CYBMUJFWSA-N 0 3 272.417 3.944 20 70 CHIDHN CC[C@@H](NCCO)c1ccc(Oc2ccccc2)cc1 ZINC000159694145 261192195 /nfs/dbraw/zinc/19/21/95/261192195.db2.gz XUPKPXCSRHDCQD-QGZVFWFLSA-N 0 3 271.360 3.512 20 70 CHIDHN Cc1ncc([C@H](C)NCCSc2ccccc2)c(C)n1 ZINC000160515931 261216906 /nfs/dbraw/zinc/21/69/06/261216906.db2.gz SSXDNWNWWHHWKD-LBPRGKRZSA-N 0 3 287.432 3.536 20 70 CHIDHN CC[C@@H](NCCc1ccccn1)c1ccc(F)cc1F ZINC000160655704 261221407 /nfs/dbraw/zinc/22/14/07/261221407.db2.gz SEVWZZLXYFQDQJ-MRXNPFEDSA-N 0 3 276.330 3.643 20 70 CHIDHN Cc1ccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC000160930040 261231807 /nfs/dbraw/zinc/23/18/07/261231807.db2.gz XBOGVRAOECWVHQ-BLVKFPJESA-N 0 3 293.457 3.645 20 70 CHIDHN C[C@H](N[C@H](CCO)c1ccccc1)c1cccs1 ZINC000160979576 261233399 /nfs/dbraw/zinc/23/33/99/261233399.db2.gz FRCXUGOAYQUIRL-GXTWGEPZSA-N 0 3 261.390 3.522 20 70 CHIDHN C[C@@H](NCC(=O)Nc1ccccc1)C(C)(C)c1ccccc1 ZINC000160785056 328085522 /nfs/dbraw/zinc/08/55/22/328085522.db2.gz JYZZWGDMNBXZCQ-OAHLLOKOSA-N 0 3 296.414 3.581 20 70 CHIDHN CSC[C@@H](CCO)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000160151782 327596540 /nfs/dbraw/zinc/59/65/40/327596540.db2.gz PTIFZTSODAXVBO-CZUORRHYSA-N 0 3 281.465 3.575 20 70 CHIDHN Cc1c2ccccc2oc1[C@@H](C)NCCC(C)(C)O ZINC000159799872 330851505 /nfs/dbraw/zinc/85/15/05/330851505.db2.gz ANJHZAJBDQZXGO-GFCCVEGCSA-N 0 3 261.365 3.553 20 70 CHIDHN CCn1cc([C@@H](C)N[C@@H](C)c2cccc(C)c2)cn1 ZINC000160209189 330861256 /nfs/dbraw/zinc/86/12/56/330861256.db2.gz KKIVZJKNZSLLOA-UONOGXRCSA-N 0 3 257.381 3.623 20 70 CHIDHN Cn1c2ccccc2nc1CNCCCC1CCCC1 ZINC000218085443 333126842 /nfs/dbraw/zinc/12/68/42/333126842.db2.gz VXRWXGQCCMLPJR-UHFFFAOYSA-N 0 3 271.408 3.633 20 70 CHIDHN Fc1ccc2c(c1)[C@H](N[C@@H]1CCCSC1)CCCO2 ZINC000159549237 261188285 /nfs/dbraw/zinc/18/82/85/261188285.db2.gz NZYOKUFGLDOLFM-TZMCWYRMSA-N 0 3 281.396 3.525 20 70 CHIDHN CCc1nc(CN[C@@H](CC2CCCC2)c2ccccc2)n[nH]1 ZINC000160519238 261217319 /nfs/dbraw/zinc/21/73/19/261217319.db2.gz RRZRIADAMVYIFQ-INIZCTEOSA-N 0 3 298.434 3.778 20 70 CHIDHN CC[C@H](NCCc1c(C)noc1C)c1ccc(F)cc1F ZINC000160896508 261231353 /nfs/dbraw/zinc/23/13/53/261231353.db2.gz ZAPBVABKZRGXRR-INIZCTEOSA-N 0 3 294.345 3.853 20 70 CHIDHN Cc1ccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000160929781 261231888 /nfs/dbraw/zinc/23/18/88/261231888.db2.gz XBOGVRAOECWVHQ-CWTRNNRKSA-N 0 3 293.457 3.645 20 70 CHIDHN CN(Cc1ccc(Cl)c(Cl)c1)CC1=CCCOC1 ZINC000161140098 261238553 /nfs/dbraw/zinc/23/85/53/261238553.db2.gz QRIZYMUUURVHOC-UHFFFAOYSA-N 0 3 286.202 3.772 20 70 CHIDHN CCn1cc([C@H](C)N[C@@H](C)c2cccc(C)c2)cn1 ZINC000160209312 330861296 /nfs/dbraw/zinc/86/12/96/330861296.db2.gz KKIVZJKNZSLLOA-KBPBESRZSA-N 0 3 257.381 3.623 20 70 CHIDHN C[C@H](N[C@H](CC(F)(F)F)c1ccccc1)[C@@H]1CCCO1 ZINC000217968790 333125404 /nfs/dbraw/zinc/12/54/04/333125404.db2.gz NTDAVBOCEOGRLF-YUTCNCBUSA-N 0 3 287.325 3.837 20 70 CHIDHN CCOc1cccc(CNCc2cccc3cc[nH]c32)c1 ZINC000218113356 333127114 /nfs/dbraw/zinc/12/71/14/333127114.db2.gz UPKWLJJYFDEQMH-UHFFFAOYSA-N 0 3 280.371 3.856 20 70 CHIDHN CCC(CC)[C@H](O)CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000218247356 333129743 /nfs/dbraw/zinc/12/97/43/333129743.db2.gz GUIMIHMLNPCEFC-ZUZCIYMTSA-N 0 3 287.806 3.927 20 70 CHIDHN CC[C@@H](NC1CCC(O)CC1)c1cccc(Cl)c1F ZINC000161477201 522809095 /nfs/dbraw/zinc/80/90/95/522809095.db2.gz RWQIRBDMIDVKHS-QIMFLAQGSA-N 0 3 285.790 3.823 20 70 CHIDHN CCc1ccc([C@@H](C)NCc2ccc(CN(C)C)cc2)o1 ZINC000160900177 524026271 /nfs/dbraw/zinc/02/62/71/524026271.db2.gz SHQKXSWMYNYVQE-CQSZACIVSA-N 0 3 286.419 3.754 20 70 CHIDHN Cc1cccc2c1CC[C@@H]2N[C@H](CCO)c1ccccc1 ZINC000160960512 524942907 /nfs/dbraw/zinc/94/29/07/524942907.db2.gz DTHOFRCPXQWLHB-MOPGFXCFSA-N 0 3 281.399 3.696 20 70 CHIDHN Cc1nccn1CCCCN(C)[C@H](C)c1ccccc1F ZINC000161426812 527392130 /nfs/dbraw/zinc/39/21/30/527392130.db2.gz LININKGEDUZXPA-CQSZACIVSA-N 0 3 289.398 3.804 20 70 CHIDHN Cc1cc(C)cc(CCN[C@H](C)c2cncs2)c1 ZINC000159470518 261186775 /nfs/dbraw/zinc/18/67/75/261186775.db2.gz BZSKFNXCYABNFP-CYBMUJFWSA-N 0 3 260.406 3.653 20 70 CHIDHN C[C@@H](N[C@@H]1CCCc2cc(F)ccc21)c1cccnc1 ZINC000159536771 261188322 /nfs/dbraw/zinc/18/83/22/261188322.db2.gz CBHAIDGDEWRYAB-SJKOYZFVSA-N 0 3 270.351 3.949 20 70 CHIDHN CCCn1ccc2ccc(NC(=O)C3(N)CCCCC3)cc21 ZINC000161282370 264281485 /nfs/dbraw/zinc/28/14/85/264281485.db2.gz LQQXPSPATVFPCI-UHFFFAOYSA-N 0 3 299.418 3.651 20 70 CHIDHN O=C(CN[C@@H]1CCC[C@H]1c1ccccc1)Nc1ccccc1 ZINC000160788664 328085497 /nfs/dbraw/zinc/08/54/97/328085497.db2.gz WAAWTHJNTVFCHR-ZWKOTPCHSA-N 0 3 294.398 3.551 20 70 CHIDHN COc1ccc([C@H](C)NC[C@@](C)(O)CCC(C)C)cc1F ZINC000159362113 327175455 /nfs/dbraw/zinc/17/54/55/327175455.db2.gz PYIAYKLRODAHPU-GUYCJALGSA-N 0 3 297.414 3.672 20 70 CHIDHN C[C@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccncc1 ZINC000159552697 327534360 /nfs/dbraw/zinc/53/43/60/327534360.db2.gz ZUECOQFNVUBFRF-YVEFUNNKSA-N 0 3 270.351 3.949 20 70 CHIDHN Cc1cccc([C@H](C)NCc2cncn2C(C)C)c1 ZINC000160188981 330860539 /nfs/dbraw/zinc/86/05/39/330860539.db2.gz YHXUUBTWDLWXAQ-AWEZNQCLSA-N 0 3 257.381 3.623 20 70 CHIDHN CC1(C)CC[C@H](CNCc2ccc(C(F)(F)F)cc2)O1 ZINC000160279989 330862412 /nfs/dbraw/zinc/86/24/12/330862412.db2.gz CTGJDOIZKHUFRN-CYBMUJFWSA-N 0 3 287.325 3.753 20 70 CHIDHN OC1(CNCc2ccc(Cl)cc2F)CCCCCC1 ZINC000160843326 330877501 /nfs/dbraw/zinc/87/75/01/330877501.db2.gz XSKRHLJOEREGCT-UHFFFAOYSA-N 0 3 285.790 3.654 20 70 CHIDHN CCO[C@H]1C[C@H](N[C@@H](C)c2cnn(CC)c2)C1(CC)CC ZINC000161305726 520578871 /nfs/dbraw/zinc/57/88/71/520578871.db2.gz DBMDORLRVYRYLW-BPUTZDHNSA-N 0 3 293.455 3.537 20 70 CHIDHN COc1cccc(CN2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000160343043 525940556 /nfs/dbraw/zinc/94/05/56/525940556.db2.gz VLJUKOHXZDJFCE-GOSISDBHSA-N 0 3 282.387 3.736 20 70 CHIDHN CCCOc1cccc(CN[C@H](C)CC(F)(F)F)c1 ZINC000160480189 260013088 /nfs/dbraw/zinc/01/30/88/260013088.db2.gz BUDKTLNDRLZXKG-LLVKDONJSA-N 0 3 275.314 3.906 20 70 CHIDHN C[C@H](NC[C@](C)(O)c1ccccc1)c1cccc(F)c1F ZINC000159482408 261186577 /nfs/dbraw/zinc/18/65/77/261186577.db2.gz AZHUVXBQKQOYOD-SJCJKPOMSA-N 0 3 291.341 3.523 20 70 CHIDHN Cc1n[nH]cc1CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000159685778 261191443 /nfs/dbraw/zinc/19/14/43/261191443.db2.gz RYYYLJLUFSJCRK-AWEZNQCLSA-N 0 3 269.392 3.519 20 70 CHIDHN CCc1nc(CN[C@H](CC2CCCC2)c2ccccc2)n[nH]1 ZINC000160519362 261216582 /nfs/dbraw/zinc/21/65/82/261216582.db2.gz RRZRIADAMVYIFQ-MRXNPFEDSA-N 0 3 298.434 3.778 20 70 CHIDHN Cc1csc(CCCCN[C@@H](C)c2cncs2)n1 ZINC000160662284 261222210 /nfs/dbraw/zinc/22/22/10/261222210.db2.gz MQLJUSBZNIRYOZ-NSHDSACASA-N 0 3 281.450 3.582 20 70 CHIDHN C[C@H](N[C@H](CCO)c1ccccc1)c1ccc(F)cc1 ZINC000161072555 261235897 /nfs/dbraw/zinc/23/58/97/261235897.db2.gz FDKOWHNVHYYWDY-SUMWQHHRSA-N 0 3 273.351 3.600 20 70 CHIDHN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc(F)cc1 ZINC000161072667 261236118 /nfs/dbraw/zinc/23/61/18/261236118.db2.gz FDKOWHNVHYYWDY-CXAGYDPISA-N 0 3 273.351 3.600 20 70 CHIDHN CC[C@@H](NCCCn1ccnc1)c1cccc(Cl)c1F ZINC000161473967 261247754 /nfs/dbraw/zinc/24/77/54/261247754.db2.gz SVSSXMYJVQZPRC-CQSZACIVSA-N 0 3 295.789 3.807 20 70 CHIDHN CC[C@H](N[C@@H](C)CSC)c1ccc(F)cc1F ZINC000160940270 328096114 /nfs/dbraw/zinc/09/61/14/328096114.db2.gz IWEQPMZHRPEMRX-ZANVPECISA-N 0 3 259.365 3.757 20 70 CHIDHN COCc1ccccc1CNCc1cccc2cc[nH]c21 ZINC000218088125 328183594 /nfs/dbraw/zinc/18/35/94/328183594.db2.gz DXIDOXQFIDHSQY-UHFFFAOYSA-N 0 3 280.371 3.604 20 70 CHIDHN CCN(Cc1ccccn1)[C@@H]1CCCc2ccccc21 ZINC000161185137 328214991 /nfs/dbraw/zinc/21/49/91/328214991.db2.gz DZXHTSOMASGFFT-GOSISDBHSA-N 0 3 266.388 3.981 20 70 CHIDHN COc1ccccc1[C@H](C)NC[C@@](C)(O)CCC(C)C ZINC000159368676 327174969 /nfs/dbraw/zinc/17/49/69/327174969.db2.gz PKFKNAGYLBHVRD-YOEHRIQHSA-N 0 3 279.424 3.533 20 70 CHIDHN COc1ccccc1[C@H](C)NC[C@](C)(O)CCC(C)C ZINC000159368824 327175003 /nfs/dbraw/zinc/17/50/03/327175003.db2.gz PKFKNAGYLBHVRD-WMLDXEAASA-N 0 3 279.424 3.533 20 70 CHIDHN COc1ccc([C@@H](C)NC[C@](C)(O)CCC(C)C)cc1F ZINC000159362553 327175543 /nfs/dbraw/zinc/17/55/43/327175543.db2.gz PYIAYKLRODAHPU-CXAGYDPISA-N 0 3 297.414 3.672 20 70 CHIDHN CCN(CCSc1ccccc1)CCc1nccs1 ZINC000159379829 327175933 /nfs/dbraw/zinc/17/59/33/327175933.db2.gz LXYMNEYXOJAIFK-UHFFFAOYSA-N 0 3 292.473 3.800 20 70 CHIDHN COc1ccc(CCN[C@H](C)c2ccccn2)c(Cl)c1 ZINC000159377730 327176068 /nfs/dbraw/zinc/17/60/68/327176068.db2.gz UIOBVASGAQPLHS-GFCCVEGCSA-N 0 3 290.794 3.637 20 70 CHIDHN C[C@H](N[C@H]1CCCc2cc(F)ccc21)c1ccncc1 ZINC000159552962 327534367 /nfs/dbraw/zinc/53/43/67/327534367.db2.gz ZUECOQFNVUBFRF-SJCJKPOMSA-N 0 3 270.351 3.949 20 70 CHIDHN C[C@]1(NCc2cccc(Oc3ccccc3)c2)CCOC1 ZINC000160179991 330860226 /nfs/dbraw/zinc/86/02/26/330860226.db2.gz VHTLWGPBBJYIQU-SFHVURJKSA-N 0 3 283.371 3.748 20 70 CHIDHN c1cc2cccc(CN[C@@H]3CCCc4occc43)c2[nH]1 ZINC000218103895 333126850 /nfs/dbraw/zinc/12/68/50/333126850.db2.gz WPYNGIWSBBMJKE-OAHLLOKOSA-N 0 3 266.344 3.928 20 70 CHIDHN CCC(CC)[C@H](O)CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000218247482 333129877 /nfs/dbraw/zinc/12/98/77/333129877.db2.gz GUIMIHMLNPCEFC-MEBBXXQBSA-N 0 3 287.806 3.927 20 70 CHIDHN CC[C@H](N[C@H](C)COC)c1cccc(Cl)c1F ZINC000161469439 522734353 /nfs/dbraw/zinc/73/43/53/522734353.db2.gz QQPDQLBMZAOKCX-SKDRFNHKSA-N 0 3 259.752 3.555 20 70 CHIDHN CC[C@H](N[C@H](CCO)c1ccccc1)c1cccc(OC)c1 ZINC000160971858 522747247 /nfs/dbraw/zinc/74/72/47/522747247.db2.gz JATXGEDXFKTRIU-RBUKOAKNSA-N 0 3 299.414 3.860 20 70 CHIDHN CC[C@@H](NC[C@@H]1CCCCO1)c1ccc(F)cc1F ZINC000160825174 522853682 /nfs/dbraw/zinc/85/36/82/522853682.db2.gz VOPXVMZANYHBMI-SWLSCSKDSA-N 0 3 269.335 3.575 20 70 CHIDHN CC[C@@H](NC[C@H]1CCCCO1)c1ccc(F)cc1F ZINC000160825421 522863953 /nfs/dbraw/zinc/86/39/53/522863953.db2.gz VOPXVMZANYHBMI-IUODEOHRSA-N 0 3 269.335 3.575 20 70 CHIDHN COCc1cccc(CNCc2cc(F)cc(Cl)c2)c1 ZINC000160904811 523054094 /nfs/dbraw/zinc/05/40/94/523054094.db2.gz AAEAHSHBEZONSA-UHFFFAOYSA-N 0 3 293.769 3.915 20 70 CHIDHN Cc1cccn2c(CN[C@H]3CCCc4sccc43)cnc12 ZINC000160959211 525468213 /nfs/dbraw/zinc/46/82/13/525468213.db2.gz ZZFVRELEVCQATL-HNNXBMFYSA-N 0 3 297.427 3.871 20 70 CHIDHN C[C@H](N[C@H](CCO)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000160985735 525593117 /nfs/dbraw/zinc/59/31/17/525593117.db2.gz VLTNQNZTKMDLHQ-MGPUTAFESA-N 0 3 295.426 3.950 20 70 CHIDHN C[C@@H](NCCSc1ccc(Cl)cc1)c1cnn(C)c1 ZINC000160065053 261203476 /nfs/dbraw/zinc/20/34/76/261203476.db2.gz JFVZXRFXSVJTDC-LLVKDONJSA-N 0 3 295.839 3.516 20 70 CHIDHN CCn1cc([C@H](C)NCCSc2ccc(C)cc2)cn1 ZINC000160742915 261225092 /nfs/dbraw/zinc/22/50/92/261225092.db2.gz INELWUDHHDHRIH-AWEZNQCLSA-N 0 3 289.448 3.654 20 70 CHIDHN Cc1ccc(SCCN[C@@H](C)c2cncs2)cc1 ZINC000160780810 261226529 /nfs/dbraw/zinc/22/65/29/261226529.db2.gz GDEGVZCENDLJCI-LBPRGKRZSA-N 0 3 278.446 3.894 20 70 CHIDHN Cc1ccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)s1 ZINC000160929911 261232028 /nfs/dbraw/zinc/23/20/28/261232028.db2.gz XBOGVRAOECWVHQ-BUXKBTBVSA-N 0 3 293.457 3.645 20 70 CHIDHN CC1(NCc2csc(-c3ccc(F)cc3)n2)CCC1 ZINC000159915931 327578287 /nfs/dbraw/zinc/57/82/87/327578287.db2.gz YCZOPMXIEAAQBY-UHFFFAOYSA-N 0 3 276.380 3.981 20 70 CHIDHN CSC[C@H](CCO)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000160151508 327596281 /nfs/dbraw/zinc/59/62/81/327596281.db2.gz PTIFZTSODAXVBO-CJNGLKHVSA-N 0 3 281.465 3.575 20 70 CHIDHN CC[C@@H](NC[C@@H]1CCCC[C@@H]1O)c1cc(F)ccc1F ZINC000160506854 522853850 /nfs/dbraw/zinc/85/38/50/522853850.db2.gz WKUYLPULVHJZDZ-XZJROXQQSA-N 0 3 283.362 3.557 20 70 CHIDHN CC(C)c1ccc(CN(C)CC2=CCCOC2)cc1 ZINC000160668465 261222688 /nfs/dbraw/zinc/22/26/88/261222688.db2.gz HWDMJCOFVBQAHS-UHFFFAOYSA-N 0 3 259.393 3.589 20 70 CHIDHN C[C@@H](C1CC1)N(Cc1ccc(CO)o1)Cc1ccccc1 ZINC000159678056 261191514 /nfs/dbraw/zinc/19/15/14/261191514.db2.gz HXTBRXFLMGLICO-AWEZNQCLSA-N 0 3 285.387 3.573 20 70 CHIDHN C[C@H](NCCOc1cccc(Cl)c1)c1cncc(F)c1 ZINC000160259096 261209296 /nfs/dbraw/zinc/20/92/96/261209296.db2.gz QMVDFTRDUZNTHI-NSHDSACASA-N 0 3 294.757 3.604 20 70 CHIDHN CC[C@H](N)C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000160983110 261233850 /nfs/dbraw/zinc/23/38/50/261233850.db2.gz XOQZINMOJYHATJ-LSDHHAIUSA-N 0 3 294.826 3.521 20 70 CHIDHN C[C@H](NC[C@@H](CO)c1ccccc1)c1ccc(Cl)s1 ZINC000161448462 261247076 /nfs/dbraw/zinc/24/70/76/261247076.db2.gz ANMSOVPLBVMVNJ-AAEUAGOBSA-N 0 3 295.835 3.828 20 70 CHIDHN CSC[C@@H](C)NCc1cc(Cl)ccc1Cl ZINC000159637461 262363998 /nfs/dbraw/zinc/36/39/98/262363998.db2.gz ONMIYWJDDGLOOH-MRVPVSSYSA-N 0 3 264.221 3.835 20 70 CHIDHN CCc1ccc([C@@H](CO)NCc2ccc(C)cc2C)cc1 ZINC000160796932 328086391 /nfs/dbraw/zinc/08/63/91/328086391.db2.gz YSHSQUCPTGXIQP-LJQANCHMSA-N 0 3 283.415 3.689 20 70 CHIDHN O=C(CN[C@H]1CCC[C@H]1c1ccccc1)Nc1ccccc1 ZINC000160788413 328085501 /nfs/dbraw/zinc/08/55/01/328085501.db2.gz WAAWTHJNTVFCHR-ROUUACIJSA-N 0 3 294.398 3.551 20 70 CHIDHN COc1ccccc1[C@@H](C)NC[C@@](C)(O)CCC(C)C ZINC000159368965 327174999 /nfs/dbraw/zinc/17/49/99/327174999.db2.gz PKFKNAGYLBHVRD-PBHICJAKSA-N 0 3 279.424 3.533 20 70 CHIDHN C[C@H](NCCCc1cccc(F)c1)c1cncs1 ZINC000159763932 327561910 /nfs/dbraw/zinc/56/19/10/327561910.db2.gz GIJYBTXIJNGTJW-NSHDSACASA-N 0 3 264.369 3.566 20 70 CHIDHN Cc1ccc([C@@H](C)NC[C@H]2CCC(C)(C)O2)cc1F ZINC000160319082 330862978 /nfs/dbraw/zinc/86/29/78/330862978.db2.gz IJOHZACTWUCROD-TZMCWYRMSA-N 0 3 265.372 3.742 20 70 CHIDHN CC[C@@H](C)N(C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000160497305 522062621 /nfs/dbraw/zinc/06/26/21/522062621.db2.gz TYTOFQLESMMNTN-SECBINFHSA-N 0 3 296.212 3.556 20 70 CHIDHN CC[C@@H](C)N(C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000160497305 522062630 /nfs/dbraw/zinc/06/26/30/522062630.db2.gz TYTOFQLESMMNTN-SECBINFHSA-N 0 3 296.212 3.556 20 70 CHIDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cnn(CC)c2)C1(CC)CC ZINC000161305850 520373059 /nfs/dbraw/zinc/37/30/59/520373059.db2.gz DBMDORLRVYRYLW-NUEKZKHPSA-N 0 3 293.455 3.537 20 70 CHIDHN CC(C)C[C@H](N[C@H]1CCCSC1)c1ccccn1 ZINC000159530825 261188193 /nfs/dbraw/zinc/18/81/93/261188193.db2.gz JDEPWKOKPONOFL-ZFWWWQNUSA-N 0 3 264.438 3.654 20 70 CHIDHN C[C@@H](NCCOc1ccc(Cl)cc1)c1cncc(F)c1 ZINC000159640314 261190275 /nfs/dbraw/zinc/19/02/75/261190275.db2.gz SKLYDRCSOYILPB-LLVKDONJSA-N 0 3 294.757 3.604 20 70 CHIDHN C[C@H](C1CC1)N(Cc1ccc(CO)o1)Cc1ccccc1 ZINC000159678183 261191459 /nfs/dbraw/zinc/19/14/59/261191459.db2.gz HXTBRXFLMGLICO-CQSZACIVSA-N 0 3 285.387 3.573 20 70 CHIDHN CCc1nc(CN[C@@H](CC(C)C)c2ccccc2C)n[nH]1 ZINC000160425691 261214512 /nfs/dbraw/zinc/21/45/12/261214512.db2.gz CYKKVVUYVVUNJS-HNNXBMFYSA-N 0 3 286.423 3.553 20 70 CHIDHN Cc1ccc([C@@H](C)N[C@H](CCO)c2ccccc2)s1 ZINC000160932628 261232115 /nfs/dbraw/zinc/23/21/15/261232115.db2.gz IZCFFCTZBAIWKX-UKRRQHHQSA-N 0 3 275.417 3.831 20 70 CHIDHN CC[C@@H](N[C@@H]1CCCSC1)c1cc(F)ccc1F ZINC000159553920 327645755 /nfs/dbraw/zinc/64/57/55/327645755.db2.gz LSNZMSARYOOMBX-BXUZGUMPSA-N 0 3 271.376 3.901 20 70 CHIDHN CCC[C@@H](NCCc1nc(C)c(C)s1)c1ccccn1 ZINC000159387730 327176543 /nfs/dbraw/zinc/17/65/43/327176543.db2.gz HOYHBDXZQWMNBJ-CQSZACIVSA-N 0 3 289.448 3.828 20 70 CHIDHN CCCc1ccccc1NC(=O)c1ccc(CN(C)C)cc1 ZINC000160028642 327587288 /nfs/dbraw/zinc/58/72/88/327587288.db2.gz XINMWOQNJLXIBR-UHFFFAOYSA-N 0 3 296.414 3.953 20 70 CHIDHN Cc1cccc2c1CC[C@H]2NCc1ccc(OC(C)C)nc1 ZINC000160043286 327588580 /nfs/dbraw/zinc/58/85/80/327588580.db2.gz QOMPUBNMCDTUIT-GOSISDBHSA-N 0 3 296.414 3.954 20 70 CHIDHN Cc1c2ccccc2oc1[C@H](C)NCCC(C)(C)O ZINC000159799993 330851562 /nfs/dbraw/zinc/85/15/62/330851562.db2.gz ANJHZAJBDQZXGO-LBPRGKRZSA-N 0 3 261.365 3.553 20 70 CHIDHN CCCCO[C@H]1C[C@@H](N[C@@H](C)c2cncc(F)c2)C1(C)C ZINC000159795448 330851588 /nfs/dbraw/zinc/85/15/88/330851588.db2.gz UIPOYTWBSZYHKZ-MAZHCROVSA-N 0 3 294.414 3.855 20 70 CHIDHN CCCCCOc1ccc(CN[C@@]2(C)CCOC2)cc1 ZINC000160183428 330860368 /nfs/dbraw/zinc/86/03/68/330860368.db2.gz NLBIGNNWTZGXIM-KRWDZBQOSA-N 0 3 277.408 3.524 20 70 CHIDHN OCCN(Cc1cc(Cl)ccc1F)C1CCCCC1 ZINC000218306623 333130800 /nfs/dbraw/zinc/13/08/00/333130800.db2.gz KJVXZIOVLPYTCD-UHFFFAOYSA-N 0 3 285.790 3.606 20 70 CHIDHN CC[C@@H](N[C@@H](C)COC)c1cccc(Cl)c1F ZINC000161469353 522909686 /nfs/dbraw/zinc/90/96/86/522909686.db2.gz QQPDQLBMZAOKCX-JOYOIKCWSA-N 0 3 259.752 3.555 20 70 CHIDHN CC(C)Oc1ccc(CN[C@H]2CCc3ccccc32)cn1 ZINC000160048882 261202572 /nfs/dbraw/zinc/20/25/72/261202572.db2.gz FWGACJUNJZMLKA-KRWDZBQOSA-N 0 3 282.387 3.646 20 70 CHIDHN c1ccc2c(c1)nccc2N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160319214 261210992 /nfs/dbraw/zinc/21/09/92/261210992.db2.gz MKVPZVQONRPXCO-DYVFJYSZSA-N 0 3 268.360 3.604 20 70 CHIDHN OCCC[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000160671856 261222112 /nfs/dbraw/zinc/22/21/12/261222112.db2.gz ZNBALKLUXYKURO-MOPGFXCFSA-N 0 3 299.389 3.916 20 70 CHIDHN OCCC[C@H](N[C@H]1CCc2ccccc21)c1ccccc1 ZINC000160732479 261224930 /nfs/dbraw/zinc/22/49/30/261224930.db2.gz VUARVEZDMGQGTB-OALUTQOASA-N 0 3 281.399 3.777 20 70 CHIDHN Cc1ccc(C)c([C@@H](C)NCc2ccc(NC(N)=O)cc2)c1 ZINC000160704734 327974307 /nfs/dbraw/zinc/97/43/07/327974307.db2.gz QOKIMXNDXYGAIU-CQSZACIVSA-N 0 3 297.402 3.645 20 70 CHIDHN CN(Cc1cccc(Cl)c1)Cc1cccc2c[nH]nc21 ZINC000161129819 328135487 /nfs/dbraw/zinc/13/54/87/328135487.db2.gz WRTHKVYMDVSSJA-UHFFFAOYSA-N 0 3 285.778 3.848 20 70 CHIDHN CC(C)Oc1ccc(CN[C@H]2c3ccccc3C[C@H]2C)cn1 ZINC000160056629 327590047 /nfs/dbraw/zinc/59/00/47/327590047.db2.gz XPJPAYLIGXTJDO-AUUYWEPGSA-N 0 3 296.414 3.892 20 70 CHIDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(F)cc1F ZINC000218059050 333126375 /nfs/dbraw/zinc/12/63/75/333126375.db2.gz BKDOHBDNVLHQKS-COLVAYQJSA-N 0 3 269.335 3.573 20 70 CHIDHN CCc1nc(CN[C@@H](c2cccs2)C(CC)CC)n[nH]1 ZINC000160378164 522349126 /nfs/dbraw/zinc/34/91/26/522349126.db2.gz IDTRFLYZWRXUJQ-OAHLLOKOSA-N 0 3 292.452 3.696 20 70 CHIDHN CC[C@H](NC[C@@H]1CCCC[C@@H]1O)c1cc(F)ccc1F ZINC000160506743 522617215 /nfs/dbraw/zinc/61/72/15/522617215.db2.gz WKUYLPULVHJZDZ-UVBJJODRSA-N 0 3 283.362 3.557 20 70 CHIDHN CC[C@H](NC[C@H]1CCCO1)c1cccc(Cl)c1F ZINC000161485592 522633314 /nfs/dbraw/zinc/63/33/14/522633314.db2.gz JCEDKWIIYXBWES-MFKMUULPSA-N 0 3 271.763 3.699 20 70 CHIDHN C[C@@H](NCCCc1nc2c(s1)CCCC2)c1ccco1 ZINC000160620338 525444479 /nfs/dbraw/zinc/44/44/79/525444479.db2.gz LYDREKBUYWEGQH-GFCCVEGCSA-N 0 3 290.432 3.898 20 70 CHIDHN C[C@H](N[C@H]1CCCc2cc(F)ccc21)c1cccnc1 ZINC000159536867 261188201 /nfs/dbraw/zinc/18/82/01/261188201.db2.gz CBHAIDGDEWRYAB-SJCJKPOMSA-N 0 3 270.351 3.949 20 70 CHIDHN CC[C@H](NCc1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000159783009 261194121 /nfs/dbraw/zinc/19/41/21/261194121.db2.gz GIDDCTKARVZGLU-ZDUSSCGKSA-N 0 3 297.324 3.680 20 70 CHIDHN Cc1ncc([C@H](C)NCC2(c3ccc(F)cc3)CC2)c(C)n1 ZINC000161358070 261245578 /nfs/dbraw/zinc/24/55/78/261245578.db2.gz NHOVBXKMIPFBCJ-LBPRGKRZSA-N 0 3 299.393 3.615 20 70 CHIDHN CCCCOc1ccc(CCN[C@@H](C)c2cnccn2)cc1 ZINC000161390098 261246038 /nfs/dbraw/zinc/24/60/38/261246038.db2.gz NCWAWGFNFYJPRW-HNNXBMFYSA-N 0 3 299.418 3.549 20 70 CHIDHN CCc1ccc([C@H](CO)NCc2cc(C)ccc2C)cc1 ZINC000160787048 328085399 /nfs/dbraw/zinc/08/53/99/328085399.db2.gz DHLZWOLRWSEEAP-IBGZPJMESA-N 0 3 283.415 3.689 20 70 CHIDHN CCN(Cc1ccccn1)[C@H](C)c1cccc(C)c1 ZINC000161042808 328121564 /nfs/dbraw/zinc/12/15/64/328121564.db2.gz URPVWSNVDBJEIO-OAHLLOKOSA-N 0 3 254.377 3.973 20 70 CHIDHN CCC[C@H](NCCc1nc(C)c(C)s1)c1ccccn1 ZINC000159387609 327176452 /nfs/dbraw/zinc/17/64/52/327176452.db2.gz HOYHBDXZQWMNBJ-AWEZNQCLSA-N 0 3 289.448 3.828 20 70 CHIDHN CCn1cc([C@@H](C)N[C@H](C)c2cccc(C)c2)cn1 ZINC000160165223 330859925 /nfs/dbraw/zinc/85/99/25/330859925.db2.gz KKIVZJKNZSLLOA-ZIAGYGMSSA-N 0 3 257.381 3.623 20 70 CHIDHN Cn1cccc1[C@@H]1CCCN1C/C=C/c1ccccc1 ZINC000218754905 333135772 /nfs/dbraw/zinc/13/57/72/333135772.db2.gz DTSDPEUERGBHMB-DNXKIMQPSA-N 0 3 266.388 3.875 20 70 CHIDHN CC[C@@H](NC[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1F ZINC000160560189 522852612 /nfs/dbraw/zinc/85/26/12/522852612.db2.gz JVYAQTDVXINURF-XZJROXQQSA-N 0 3 283.362 3.557 20 70 CHIDHN CCc1ccc([C@@H](C)NCCCc2nc(C(C)C)no2)o1 ZINC000160827061 524025052 /nfs/dbraw/zinc/02/50/52/524025052.db2.gz JDELUSRQCOHDRC-GFCCVEGCSA-N 0 3 291.395 3.632 20 70 CHIDHN CCc1ccc([C@H](C)NCCCc2nc(C(C)C)no2)o1 ZINC000160827205 524045345 /nfs/dbraw/zinc/04/53/45/524045345.db2.gz JDELUSRQCOHDRC-LBPRGKRZSA-N 0 3 291.395 3.632 20 70 CHIDHN C[C@H](C[C@H]1CCCO1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000161269733 524650712 /nfs/dbraw/zinc/65/07/12/524650712.db2.gz LBLLXLVOTWTEBO-XNRPHZJLSA-N 0 3 293.382 3.587 20 70 CHIDHN C[C@@H](N[C@H](CCO)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000160985869 525668604 /nfs/dbraw/zinc/66/86/04/525668604.db2.gz VLTNQNZTKMDLHQ-FOIQADDNSA-N 0 3 295.426 3.950 20 70 CHIDHN Cc1nc(-c2cc([C@@H](C)NCC(C)(C)O)cs2)cs1 ZINC000160617044 526562301 /nfs/dbraw/zinc/56/23/01/526562301.db2.gz SBXQZVGWUZJXGG-SECBINFHSA-N 0 3 296.461 3.602 20 70 CHIDHN C[C@@H](N[C@@H]1CCCSC1)c1cc(F)c(F)c(F)c1 ZINC000159570931 261188898 /nfs/dbraw/zinc/18/88/98/261188898.db2.gz AMJOLWBAVPKWQN-PSASIEDQSA-N 0 3 275.339 3.650 20 70 CHIDHN Cc1nn(C)cc1CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000159671175 261190957 /nfs/dbraw/zinc/19/09/57/261190957.db2.gz COWKGCHFMHPSHE-HNNXBMFYSA-N 0 3 283.419 3.529 20 70 CHIDHN C[C@@H](NCCOc1cccc(Cl)c1)c1cncc(F)c1 ZINC000160259250 261209319 /nfs/dbraw/zinc/20/93/19/261209319.db2.gz QMVDFTRDUZNTHI-LLVKDONJSA-N 0 3 294.757 3.604 20 70 CHIDHN O[C@H]1CCCC[C@@H]1CN[C@@H]1CCSc2ccc(F)cc21 ZINC000160443905 261213972 /nfs/dbraw/zinc/21/39/72/261213972.db2.gz WJJMGAPBTVKRCJ-DFBGVHRSSA-N 0 3 295.423 3.503 20 70 CHIDHN OCCC[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000160671982 261222644 /nfs/dbraw/zinc/22/26/44/261222644.db2.gz ZNBALKLUXYKURO-OALUTQOASA-N 0 3 299.389 3.916 20 70 CHIDHN CCn1cc([C@@H](C)NCCSc2ccc(C)cc2)cn1 ZINC000160742796 261225203 /nfs/dbraw/zinc/22/52/03/261225203.db2.gz INELWUDHHDHRIH-CQSZACIVSA-N 0 3 289.448 3.654 20 70 CHIDHN Cc1ccc(C(=O)CCN2CCC[C@H]2c2ccncc2)cc1 ZINC000161165808 261239523 /nfs/dbraw/zinc/23/95/23/261239523.db2.gz KUPOCPFACSDNNY-SFHVURJKSA-N 0 3 294.398 3.800 20 70 CHIDHN C[C@H]1C[C@H](NCC2(CO)CCCC2)c2ccsc2S1 ZINC000217006900 262275075 /nfs/dbraw/zinc/27/50/75/262275075.db2.gz YHARWKDOHKWKSQ-AAEUAGOBSA-N 0 3 297.489 3.816 20 70 CHIDHN CN(Cc1ccc(Cl)cc1)Cc1cccc2c[nH]nc21 ZINC000160808331 328087055 /nfs/dbraw/zinc/08/70/55/328087055.db2.gz VKQQSBAMQSWCTP-UHFFFAOYSA-N 0 3 285.778 3.848 20 70 CHIDHN Fc1cc(Cl)cc(CNCCOc2ccccc2)c1 ZINC000160918198 330879332 /nfs/dbraw/zinc/87/93/32/330879332.db2.gz PPYBBBPZGUVYDT-UHFFFAOYSA-N 0 3 279.742 3.648 20 70 CHIDHN COc1ccc(COCCCN[C@H](C)c2ccco2)cc1 ZINC000161091392 261235983 /nfs/dbraw/zinc/23/59/83/261235983.db2.gz WJQTWZVJDSRXPG-CQSZACIVSA-N 0 3 289.375 3.546 20 70 CHIDHN CCCCOc1ccc(CCN[C@H](C)c2cnccn2)cc1 ZINC000161390236 261246153 /nfs/dbraw/zinc/24/61/53/261246153.db2.gz NCWAWGFNFYJPRW-OAHLLOKOSA-N 0 3 299.418 3.549 20 70 CHIDHN CC[C@H](NCCCn1ccnc1)c1cccc(Cl)c1F ZINC000161473852 261247485 /nfs/dbraw/zinc/24/74/85/261247485.db2.gz SVSSXMYJVQZPRC-AWEZNQCLSA-N 0 3 295.789 3.807 20 70 CHIDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccccc1OC(F)F ZINC000218203278 263088345 /nfs/dbraw/zinc/08/83/45/263088345.db2.gz HIXMQLGFUWWCQZ-NJZAAPMLSA-N 0 3 299.361 3.896 20 70 CHIDHN C[C@@H](N)C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000161030169 264269733 /nfs/dbraw/zinc/26/97/33/264269733.db2.gz GBWORMQCQMKXSJ-GFCCVEGCSA-N 0 3 292.448 3.538 20 70 CHIDHN CCc1ccc([C@@H](CO)NCc2cc(C)ccc2C)cc1 ZINC000160786925 328085492 /nfs/dbraw/zinc/08/54/92/328085492.db2.gz DHLZWOLRWSEEAP-LJQANCHMSA-N 0 3 283.415 3.689 20 70 CHIDHN COCc1ccc(CN(C)Cc2ccc(F)cc2)cc1 ZINC000161145024 328136903 /nfs/dbraw/zinc/13/69/03/328136903.db2.gz VTFKWJWLGWDXIG-UHFFFAOYSA-N 0 3 273.351 3.604 20 70 CHIDHN c1cc2cccc(CNCCOC3CCCCC3)c2[nH]1 ZINC000218156728 328216851 /nfs/dbraw/zinc/21/68/51/328216851.db2.gz MUJGFTYDVXNWDA-UHFFFAOYSA-N 0 3 272.392 3.607 20 70 CHIDHN Cc1c2ccccc2oc1[C@H](C)NCC1(CO)CCCC1 ZINC000160072859 330858417 /nfs/dbraw/zinc/85/84/17/330858417.db2.gz FNWVXCUMGPASKC-AWEZNQCLSA-N 0 3 287.403 3.945 20 70 CHIDHN Cc1ccc([C@H](C)NC[C@@H]2CCC(C)(C)O2)cc1F ZINC000160318947 330862931 /nfs/dbraw/zinc/86/29/31/330862931.db2.gz IJOHZACTWUCROD-JSGCOSHPSA-N 0 3 265.372 3.742 20 70 CHIDHN CC[C@H](NC[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1F ZINC000160560301 522633031 /nfs/dbraw/zinc/63/30/31/522633031.db2.gz JVYAQTDVXINURF-RLCCDNCMSA-N 0 3 283.362 3.557 20 70 CHIDHN CC[C@H]1CCCC[C@H]1NCc1csc([C@@H](C)OC)n1 ZINC000161427158 523062016 /nfs/dbraw/zinc/06/20/16/523062016.db2.gz NFWKTSZISWXZAM-MBNYWOFBSA-N 0 3 282.453 3.909 20 70 CHIDHN CC1(C)C[C@H](NCc2ccc(-c3ccccc3)o2)CCO1 ZINC000160597195 261218941 /nfs/dbraw/zinc/21/89/41/261218941.db2.gz ZIZLSSFLBBYNSM-OAHLLOKOSA-N 0 3 285.387 3.994 20 70 CHIDHN Cc1ccc2nccc(N[C@H]3CCO[C@@H](C4CC4)C3)c2c1 ZINC000160394512 264243440 /nfs/dbraw/zinc/24/34/40/264243440.db2.gz XYEYPLMNFGCMER-KBXCAEBGSA-N 0 3 282.387 3.913 20 70 CHIDHN Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)c2ccccc2n1 ZINC000160418180 264243910 /nfs/dbraw/zinc/24/39/10/264243910.db2.gz RLFVEOVMRGBUJY-KSSFIOAISA-N 0 3 282.387 3.913 20 70 CHIDHN Cc1ccn2c(CN[C@@H]3CCCc4sccc43)cnc2c1 ZINC000160982564 328113430 /nfs/dbraw/zinc/11/34/30/328113430.db2.gz MCDKZYFCIXGDIH-OAHLLOKOSA-N 0 3 297.427 3.871 20 70 CHIDHN COc1ccc(Cl)cc1[C@H](C)N[C@@H]1CCCSC1 ZINC000159633780 327548297 /nfs/dbraw/zinc/54/82/97/327548297.db2.gz QKBQFOSORUWFPG-CMPLNLGQSA-N 0 3 285.840 3.895 20 70 CHIDHN Cc1ccccc1OCCN[C@@H](C)c1ccccc1F ZINC000216625079 329295391 /nfs/dbraw/zinc/29/53/91/329295391.db2.gz DVYKWQDSGJVFGE-AWEZNQCLSA-N 0 3 273.351 3.864 20 70 CHIDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccco2)C12CCCC2 ZINC000160765787 520376321 /nfs/dbraw/zinc/37/63/21/520376321.db2.gz KCWAHDBUUNJHMW-BPLDGKMQSA-N 0 3 263.381 3.668 20 70 CHIDHN C[C@H](N[C@@H]1CCCSC1)c1cc(F)c(F)c(F)c1 ZINC000159570814 261188962 /nfs/dbraw/zinc/18/89/62/261188962.db2.gz AMJOLWBAVPKWQN-WCBMZHEXSA-N 0 3 275.339 3.650 20 70 CHIDHN CC(C)[C@@H](c1ccccc1Cl)N(C)CCn1cccn1 ZINC000217181661 260077860 /nfs/dbraw/zinc/07/78/60/260077860.db2.gz HAZYHXLMNQKBMB-INIZCTEOSA-N 0 3 291.826 3.866 20 70 CHIDHN Fc1ccc2c(c1)[C@H](N[C@H]1CCCSC1)CCCO2 ZINC000159549507 261188187 /nfs/dbraw/zinc/18/81/87/261188187.db2.gz NZYOKUFGLDOLFM-GXTWGEPZSA-N 0 3 281.396 3.525 20 70 CHIDHN C[C@H](N[C@@H]1CCCc2cc(F)ccc21)c1cccnc1 ZINC000159536673 261188189 /nfs/dbraw/zinc/18/81/89/261188189.db2.gz CBHAIDGDEWRYAB-YVEFUNNKSA-N 0 3 270.351 3.949 20 70 CHIDHN CCOc1cccc2cc([C@@H](C)NCCC(C)(C)O)oc21 ZINC000159775261 261194111 /nfs/dbraw/zinc/19/41/11/261194111.db2.gz CLKGZPHZALXGCP-GFCCVEGCSA-N 0 3 291.391 3.643 20 70 CHIDHN OCCC[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000160671749 261222340 /nfs/dbraw/zinc/22/23/40/261222340.db2.gz ZNBALKLUXYKURO-RBUKOAKNSA-N 0 3 299.389 3.916 20 70 CHIDHN CCc1nc(CN[C@H](c2ccccc2)C(CC)CC)n[nH]1 ZINC000160328076 262076012 /nfs/dbraw/zinc/07/60/12/262076012.db2.gz WTSQRWFGZROGCE-KRWDZBQOSA-N 0 3 286.423 3.634 20 70 CHIDHN CCc1nc(CN[C@@H](c2ccccc2)C(CC)CC)n[nH]1 ZINC000160327945 262077149 /nfs/dbraw/zinc/07/71/49/262077149.db2.gz WTSQRWFGZROGCE-QGZVFWFLSA-N 0 3 286.423 3.634 20 70 CHIDHN Cc1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)c2ccccc2n1 ZINC000160418302 264244002 /nfs/dbraw/zinc/24/40/02/264244002.db2.gz RLFVEOVMRGBUJY-RDTXWAMCSA-N 0 3 282.387 3.913 20 70 CHIDHN c1cc2c(s1)CCC[C@H]2NCc1cccc2c[nH]nc21 ZINC000160970196 328101210 /nfs/dbraw/zinc/10/12/10/328101210.db2.gz YBJFDZKEHVMBLA-CQSZACIVSA-N 0 3 283.400 3.792 20 70 CHIDHN CC(C)=CCC[C@@H](C)NCc1cn2ccccc2n1 ZINC000159412531 327183157 /nfs/dbraw/zinc/18/31/57/327183157.db2.gz QQHFJTKQXXHATL-CQSZACIVSA-N 0 3 257.381 3.559 20 70 CHIDHN CCN(CCO[C@@H]1CCCC[C@@H]1C)CCc1nccs1 ZINC000159432354 327189609 /nfs/dbraw/zinc/18/96/09/327189609.db2.gz RXWQAGULVFZEMX-LSDHHAIUSA-N 0 3 296.480 3.603 20 70 CHIDHN OC1(CNCc2cc(F)cc(Cl)c2)CCCCCC1 ZINC000160951757 330881124 /nfs/dbraw/zinc/88/11/24/330881124.db2.gz VKMKNAAOYJFPDP-UHFFFAOYSA-N 0 3 285.790 3.654 20 70 CHIDHN CCC(CC)[C@@H](O)CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000218247422 333129795 /nfs/dbraw/zinc/12/97/95/333129795.db2.gz GUIMIHMLNPCEFC-BMIGLBTASA-N 0 3 287.806 3.927 20 70 CHIDHN CC(C)C[C@H](NCC(=O)NC(C)C)c1ccc(Cl)cc1 ZINC000161008765 519393887 /nfs/dbraw/zinc/39/38/87/519393887.db2.gz WYFORMZDTAGJPG-HNNXBMFYSA-N 0 3 296.842 3.541 20 70 CHIDHN COc1cccc(CN2CCC[C@H]2c2cccc(C)n2)c1 ZINC000160342914 525942065 /nfs/dbraw/zinc/94/20/65/525942065.db2.gz VLJUKOHXZDJFCE-SFHVURJKSA-N 0 3 282.387 3.736 20 70 CHIDHN CC[C@H](NC[C@@H]1CCCCO1)c1ccc(F)cc1F ZINC000160825035 522618749 /nfs/dbraw/zinc/61/87/49/522618749.db2.gz VOPXVMZANYHBMI-WFASDCNBSA-N 0 3 269.335 3.575 20 70 CHIDHN Cc1csc(CCCCN[C@H](C)c2cncs2)n1 ZINC000160662396 261222306 /nfs/dbraw/zinc/22/23/06/261222306.db2.gz MQLJUSBZNIRYOZ-LLVKDONJSA-N 0 3 281.450 3.582 20 70 CHIDHN C[C@@H](NC[C@H](CO)c1ccccc1)c1ccc(Cl)s1 ZINC000161448856 261246536 /nfs/dbraw/zinc/24/65/36/261246536.db2.gz ANMSOVPLBVMVNJ-DGCLKSJQSA-N 0 3 295.835 3.828 20 70 CHIDHN Cc1ccc([C@H](C)NCCOc2ccccc2Cl)o1 ZINC000216743891 329299811 /nfs/dbraw/zinc/29/98/11/329299811.db2.gz NTXXHYYDJFANCJ-LBPRGKRZSA-N 0 3 279.767 3.971 20 70 CHIDHN Cc1ccc([C@@H](C)NCCOc2ccccc2Cl)o1 ZINC000216743845 329299905 /nfs/dbraw/zinc/29/99/05/329299905.db2.gz NTXXHYYDJFANCJ-GFCCVEGCSA-N 0 3 279.767 3.971 20 70 CHIDHN Cc1ccccc1OCCN[C@@H](C)c1cccc(F)c1 ZINC000216625194 330408461 /nfs/dbraw/zinc/40/84/61/330408461.db2.gz KZFWJNCWOAVTDO-AWEZNQCLSA-N 0 3 273.351 3.864 20 70 CHIDHN Cc1ccc([C@H](C)NC[C@H]2CCC(C)(C)O2)cc1F ZINC000160319205 330862950 /nfs/dbraw/zinc/86/29/50/330862950.db2.gz IJOHZACTWUCROD-GXTWGEPZSA-N 0 3 265.372 3.742 20 70 CHIDHN CC1(C)C[C@@H](Nc2ccnc3ccccc32)CCO1 ZINC000160695497 330873629 /nfs/dbraw/zinc/87/36/29/330873629.db2.gz BEYKAKNOOHAVSI-LBPRGKRZSA-N 0 3 256.349 3.604 20 70 CHIDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(F)ccc1F ZINC000218040361 333126126 /nfs/dbraw/zinc/12/61/26/333126126.db2.gz BRXFCQULXSSLOI-COLVAYQJSA-N 0 3 269.335 3.573 20 70 CHIDHN c1coc(CN2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000161062686 526566403 /nfs/dbraw/zinc/56/64/03/526566403.db2.gz QQXHIDFEJIGZAG-UHFFFAOYSA-N 0 3 282.343 3.800 20 70 CHIDHN CC(C)C[C@@H](N[C@@H]1CCCSC1)c1ccccn1 ZINC000159530701 261188312 /nfs/dbraw/zinc/18/83/12/261188312.db2.gz JDEPWKOKPONOFL-UKRRQHHQSA-N 0 3 264.438 3.654 20 70 CHIDHN Cc1csc(CCCCN[C@H](C)c2ccco2)n1 ZINC000160688001 261222583 /nfs/dbraw/zinc/22/25/83/261222583.db2.gz WFGIGEJZNADJPA-GFCCVEGCSA-N 0 3 264.394 3.718 20 70 CHIDHN Cc1ccc([C@H](C)N[C@H](CCO)c2ccccc2)s1 ZINC000160932748 261231914 /nfs/dbraw/zinc/23/19/14/261231914.db2.gz IZCFFCTZBAIWKX-DZGCQCFKSA-N 0 3 275.417 3.831 20 70 CHIDHN c1cc2c(s1)CCC[C@@H]2NCc1ccc2c[nH]nc2c1 ZINC000160957624 261232530 /nfs/dbraw/zinc/23/25/30/261232530.db2.gz KRNYJXNNPADZBQ-AWEZNQCLSA-N 0 3 283.400 3.792 20 70 CHIDHN CN(Cc1ccc2c[nH]nc2c1)Cc1cccc(Cl)c1 ZINC000161128189 328135549 /nfs/dbraw/zinc/13/55/49/328135549.db2.gz LWWHBDQTOXGTNO-UHFFFAOYSA-N 0 3 285.778 3.848 20 70 CHIDHN C[C@@H](N[C@H]1CCCc2cc(F)ccc21)c1ccncc1 ZINC000159553112 327534354 /nfs/dbraw/zinc/53/43/54/327534354.db2.gz ZUECOQFNVUBFRF-PXAZEXFGSA-N 0 3 270.351 3.949 20 70 CHIDHN C[C@H](NCC1(c2ccc(F)cc2)CC1)c1ccco1 ZINC000161373103 329931149 /nfs/dbraw/zinc/93/11/49/329931149.db2.gz GLIXCBFZLOZQKG-LBPRGKRZSA-N 0 3 259.324 3.801 20 70 CHIDHN C[C@@H](NCC1(c2ccc(F)cc2)CC1)c1ccco1 ZINC000161373209 329931182 /nfs/dbraw/zinc/93/11/82/329931182.db2.gz GLIXCBFZLOZQKG-GFCCVEGCSA-N 0 3 259.324 3.801 20 70 CHIDHN Fc1cc(Cl)cc(CNC[C@@H]2Cc3ccccc3O2)c1 ZINC000160904647 330879073 /nfs/dbraw/zinc/87/90/73/330879073.db2.gz STTJSSWQNXIEDK-HNNXBMFYSA-N 0 3 291.753 3.572 20 70 CHIDHN Cc1cccc(CNCc2cccc3cc[nH]c32)c1 ZINC000218084757 333126838 /nfs/dbraw/zinc/12/68/38/333126838.db2.gz RLBUCMWRQKKRPE-UHFFFAOYSA-N 0 3 250.345 3.766 20 70 CHIDHN Cc1cccn2c(CN[C@@H]3CCCc4sccc43)cnc12 ZINC000160959064 525467942 /nfs/dbraw/zinc/46/79/42/525467942.db2.gz ZZFVRELEVCQATL-OAHLLOKOSA-N 0 3 297.427 3.871 20 70 CHIDHN Cc1nc(-c2cc([C@H](C)NCC(C)(C)O)cs2)cs1 ZINC000160617167 526563640 /nfs/dbraw/zinc/56/36/40/526563640.db2.gz SBXQZVGWUZJXGG-VIFPVBQESA-N 0 3 296.461 3.602 20 70 CHIDHN Cc1n[nH]cc1CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000159685920 261191401 /nfs/dbraw/zinc/19/14/01/261191401.db2.gz RYYYLJLUFSJCRK-CQSZACIVSA-N 0 3 269.392 3.519 20 70 CHIDHN CC[C@@H](NCc1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000159783147 261193901 /nfs/dbraw/zinc/19/39/01/261193901.db2.gz GIDDCTKARVZGLU-CYBMUJFWSA-N 0 3 297.324 3.680 20 70 CHIDHN CC[C@H](NCCc1nccs1)c1ccc(F)cc1F ZINC000160845230 261228395 /nfs/dbraw/zinc/22/83/95/261228395.db2.gz UVIPEHITACSGOM-ZDUSSCGKSA-N 0 3 282.359 3.705 20 70 CHIDHN Cc1ccc(CN(C)Cc2cccc3[nH]ccc32)o1 ZINC000160876064 261228756 /nfs/dbraw/zinc/22/87/56/261228756.db2.gz KYNPNIWTIIKQFA-UHFFFAOYSA-N 0 3 254.333 3.701 20 70 CHIDHN Cc1ccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)s1 ZINC000160929650 261231903 /nfs/dbraw/zinc/23/19/03/261231903.db2.gz XBOGVRAOECWVHQ-HXPMCKFVSA-N 0 3 293.457 3.645 20 70 CHIDHN C[C@@H](N[C@H](CCO)c1ccccc1)c1cccs1 ZINC000160979693 261233818 /nfs/dbraw/zinc/23/38/18/261233818.db2.gz FRCXUGOAYQUIRL-TZMCWYRMSA-N 0 3 261.390 3.522 20 70 CHIDHN CCC[C@@H](NC[C@]1(C)CCCS1)c1ccccn1 ZINC000159367948 327174946 /nfs/dbraw/zinc/17/49/46/327174946.db2.gz KNOCCKXPCXGHCD-HIFRSBDPSA-N 0 3 264.438 3.798 20 70 CHIDHN CC(C)Oc1ccc(CN[C@H]2c3ccccc3C[C@@H]2C)cn1 ZINC000160056773 327590163 /nfs/dbraw/zinc/59/01/63/327590163.db2.gz XPJPAYLIGXTJDO-IFXJQAMLSA-N 0 3 296.414 3.892 20 70 CHIDHN CCSCc1cccc(NC(=O)C2(N)CCCCC2)c1 ZINC000161481544 329941265 /nfs/dbraw/zinc/94/12/65/329941265.db2.gz UCBHIBSTDKZJFM-UHFFFAOYSA-N 0 3 292.448 3.540 20 70 CHIDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cnn(CC)c2)C1(CC)CC ZINC000161305978 520434219 /nfs/dbraw/zinc/43/42/19/520434219.db2.gz DBMDORLRVYRYLW-CWRNSKLLSA-N 0 3 293.455 3.537 20 70 CHIDHN CCO[C@H]1C[C@@H](N[C@@H](C)c2cncc(F)c2)C1(CC)CC ZINC000161310498 520552080 /nfs/dbraw/zinc/55/20/80/520552080.db2.gz ZRWDJPSUHHWZEZ-MAZHCROVSA-N 0 3 294.414 3.855 20 70 CHIDHN C[C@H](NCCSc1ccc(Cl)cc1)c1cnn(C)c1 ZINC000160064916 261203723 /nfs/dbraw/zinc/20/37/23/261203723.db2.gz JFVZXRFXSVJTDC-NSHDSACASA-N 0 3 295.839 3.516 20 70 CHIDHN CC[C@@H](CN[C@H](C)c1cncs1)Oc1ccccc1F ZINC000160314464 261210546 /nfs/dbraw/zinc/21/05/46/261210546.db2.gz RIOFZSCRFPIGRR-NEPJUHHUSA-N 0 3 294.395 3.790 20 70 CHIDHN CC[C@@H](NCCc1nccs1)c1ccc(F)cc1F ZINC000160845355 261227877 /nfs/dbraw/zinc/22/78/77/261227877.db2.gz UVIPEHITACSGOM-CYBMUJFWSA-N 0 3 282.359 3.705 20 70 CHIDHN Cc1ccc(SCCN[C@H](C)c2cncc(F)c2)cc1 ZINC000160835117 261228252 /nfs/dbraw/zinc/22/82/52/261228252.db2.gz KITJNMPHLWMECT-CYBMUJFWSA-N 0 3 290.407 3.972 20 70 CHIDHN c1cc2c(s1)CCC[C@@H]2NCc1cccc2c[nH]nc21 ZINC000160970326 328101228 /nfs/dbraw/zinc/10/12/28/328101228.db2.gz YBJFDZKEHVMBLA-AWEZNQCLSA-N 0 3 283.400 3.792 20 70 CHIDHN CN(Cc1ccc(F)cc1)CC1=Cc2ccccc2OC1 ZINC000161147226 328137478 /nfs/dbraw/zinc/13/74/78/328137478.db2.gz MOGOZOUMSDSLAJ-UHFFFAOYSA-N 0 3 283.346 3.734 20 70 CHIDHN COc1ccc(CCN[C@@H](C)c2ccccn2)c(Cl)c1 ZINC000159377589 327175926 /nfs/dbraw/zinc/17/59/26/327175926.db2.gz UIOBVASGAQPLHS-LBPRGKRZSA-N 0 3 290.794 3.637 20 70 CHIDHN Cc1cnc([C@@H](NCCC(C)(C)C)C2CC2)s1 ZINC000159703635 327555471 /nfs/dbraw/zinc/55/54/71/327555471.db2.gz GRQMBROURYVTGG-LBPRGKRZSA-N 0 3 252.427 3.928 20 70 CHIDHN Cc1cnc([C@H](NCCC(C)(C)C)C2CC2)s1 ZINC000159703529 327555474 /nfs/dbraw/zinc/55/54/74/327555474.db2.gz GRQMBROURYVTGG-GFCCVEGCSA-N 0 3 252.427 3.928 20 70 CHIDHN Cc1ccccc1OCCN[C@H](C)c1ccccc1F ZINC000216625125 329295348 /nfs/dbraw/zinc/29/53/48/329295348.db2.gz DVYKWQDSGJVFGE-CQSZACIVSA-N 0 3 273.351 3.864 20 70 CHIDHN Cc1cc(N[C@H]2CCOC(C)(C)C2)c2ccccc2n1 ZINC000160635981 330870603 /nfs/dbraw/zinc/87/06/03/330870603.db2.gz OHHFALINFMTSEW-ZDUSSCGKSA-N 0 3 270.376 3.913 20 70 CHIDHN Fc1cc(Cl)ccc1CNC[C@@H]1Cc2ccccc2O1 ZINC000160783962 330875708 /nfs/dbraw/zinc/87/57/08/330875708.db2.gz YFHTXBWSMUHABR-AWEZNQCLSA-N 0 3 291.753 3.572 20 70 CHIDHN CC[C@@H](NC[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1F ZINC000160560421 522864723 /nfs/dbraw/zinc/86/47/23/522864723.db2.gz JVYAQTDVXINURF-LYRGGWFBSA-N 0 3 283.362 3.557 20 70 CHIDHN CC[C@@H](N[C@H](C)COC)c1cccc(Cl)c1F ZINC000161469538 522933032 /nfs/dbraw/zinc/93/30/32/522933032.db2.gz QQPDQLBMZAOKCX-BXKDBHETSA-N 0 3 259.752 3.555 20 70 CHIDHN CC[C@@H]1CCCC[C@@H]1NCc1csc([C@@H](C)OC)n1 ZINC000161426849 523198247 /nfs/dbraw/zinc/19/82/47/523198247.db2.gz NFWKTSZISWXZAM-BZPMIXESSA-N 0 3 282.453 3.909 20 70 CHIDHN CCc1ccc([C@H](C)NCc2ccc(CN(C)C)cc2)o1 ZINC000160900291 524046112 /nfs/dbraw/zinc/04/61/12/524046112.db2.gz SHQKXSWMYNYVQE-AWEZNQCLSA-N 0 3 286.419 3.754 20 70 CHIDHN Cc1ccc(C(=O)CCN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000160360340 526046091 /nfs/dbraw/zinc/04/60/91/526046091.db2.gz OEFBWERMWQWFEM-KRWDZBQOSA-N 0 3 282.387 3.733 20 70 CHIDHN Cc1csc(CCCCN[C@@H](C)c2ccco2)n1 ZINC000160687894 261222099 /nfs/dbraw/zinc/22/20/99/261222099.db2.gz WFGIGEJZNADJPA-LBPRGKRZSA-N 0 3 264.394 3.718 20 70 CHIDHN C[C@@H](N[C@H]1CCCc2cc(F)ccc21)c1cccnc1 ZINC000159536983 261188182 /nfs/dbraw/zinc/18/81/82/261188182.db2.gz CBHAIDGDEWRYAB-PXAZEXFGSA-N 0 3 270.351 3.949 20 70 CHIDHN Cc1ccc(CNC2CC(C)C2)c(Br)c1 ZINC000159642241 261190145 /nfs/dbraw/zinc/19/01/45/261190145.db2.gz OLYUZBJZTQIRHV-UHFFFAOYSA-N 0 3 268.198 3.646 20 70 CHIDHN CC[C@H](C)CN(CC)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000160589567 261219154 /nfs/dbraw/zinc/21/91/54/261219154.db2.gz HSVGANPBUWZQDZ-STQMWFEESA-N 0 3 288.395 3.561 20 70 CHIDHN CC[C@@H](NCCc1c(C)noc1C)c1ccc(F)cc1F ZINC000160896624 261231085 /nfs/dbraw/zinc/23/10/85/261231085.db2.gz ZAPBVABKZRGXRR-MRXNPFEDSA-N 0 3 294.345 3.853 20 70 CHIDHN Cc1ccc(C(=O)CCN2CCC[C@@H]2c2ccncc2)cc1 ZINC000161165673 261239228 /nfs/dbraw/zinc/23/92/28/261239228.db2.gz KUPOCPFACSDNNY-GOSISDBHSA-N 0 3 294.398 3.800 20 70 CHIDHN C[C@H](NCC1(c2ccc(F)cc2)CC1)c1cncs1 ZINC000161356721 261245559 /nfs/dbraw/zinc/24/55/59/261245559.db2.gz FYWAWKORYYCMQM-NSHDSACASA-N 0 3 276.380 3.665 20 70 CHIDHN C[C@H](N)C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000161029740 264269706 /nfs/dbraw/zinc/26/97/06/264269706.db2.gz GBWORMQCQMKXSJ-LBPRGKRZSA-N 0 3 292.448 3.538 20 70 CHIDHN CCCCC1CCC(N[C@@H](C)c2cnccn2)CC1 ZINC000161172055 328150891 /nfs/dbraw/zinc/15/08/91/328150891.db2.gz UTSCUHXQKCTYHD-NFOMZHRRSA-N 0 3 261.413 3.876 20 70 CHIDHN CCC[C@H](NC[C@@]1(C)CCCS1)c1ccccn1 ZINC000159368067 327175016 /nfs/dbraw/zinc/17/50/16/327175016.db2.gz KNOCCKXPCXGHCD-DZGCQCFKSA-N 0 3 264.438 3.798 20 70 CHIDHN CCN(CCOC1CCCCCC1)CCc1nccs1 ZINC000159380559 327175956 /nfs/dbraw/zinc/17/59/56/327175956.db2.gz NRESERBVOKYYFI-UHFFFAOYSA-N 0 3 296.480 3.747 20 70 CHIDHN C[C@H](c1ccc(F)c(Cl)c1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159484216 327200546 /nfs/dbraw/zinc/20/05/46/327200546.db2.gz AXXAACWMRYLIHF-GMXABZIVSA-N 0 3 285.790 3.633 20 70 CHIDHN C[C@H](NCCOc1ccc(F)cc1)c1ccc(F)cc1F ZINC000216625857 329295476 /nfs/dbraw/zinc/29/54/76/329295476.db2.gz BYWMDJUOPJRWIB-NSHDSACASA-N 0 3 295.304 3.834 20 70 CHIDHN C[C@H](CCC(C)(C)C)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000159770342 330851210 /nfs/dbraw/zinc/85/12/10/330851210.db2.gz ZKNLTQTVYYDKDI-YCPHGPKFSA-N 0 3 290.451 3.654 20 70 CHIDHN c1oc2ccccc2c1CNCCOc1ccccc1 ZINC000161097678 526626929 /nfs/dbraw/zinc/62/69/29/526626929.db2.gz WQYNLPBJKLUBCL-UHFFFAOYSA-N 0 3 267.328 3.601 20 70 CHIDHN COc1ccc2oc([C@H](C)NCCC(C)(C)O)c(C)c2c1 ZINC000159833075 261195221 /nfs/dbraw/zinc/19/52/21/261195221.db2.gz HOFHLLRSHGFJEH-LBPRGKRZSA-N 0 3 291.391 3.561 20 70 CHIDHN c1ccc2c(c1)nccc2N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160319467 261210956 /nfs/dbraw/zinc/21/09/56/261210956.db2.gz MKVPZVQONRPXCO-CXAGYDPISA-N 0 3 268.360 3.604 20 70 CHIDHN Cc1ccc2ncc(CN[C@@H]3CCCc4sccc43)n2c1 ZINC000160992908 261233596 /nfs/dbraw/zinc/23/35/96/261233596.db2.gz JZFJGUMVOJVSKA-OAHLLOKOSA-N 0 3 297.427 3.871 20 70 CHIDHN C[C@@H](NCC1(c2ccc(F)cc2)CC1)c1cncc(F)c1 ZINC000161370886 261245515 /nfs/dbraw/zinc/24/55/15/261245515.db2.gz WFMLBUNDASVCBE-GFCCVEGCSA-N 0 3 288.341 3.742 20 70 CHIDHN C[C@H](NC[C@H](CO)c1ccccc1)c1ccc(Cl)s1 ZINC000161448714 261246719 /nfs/dbraw/zinc/24/67/19/261246719.db2.gz ANMSOVPLBVMVNJ-WCQYABFASA-N 0 3 295.835 3.828 20 70 CHIDHN C[C@H]1C[C@@H](NCC2(CO)CCCC2)c2ccsc2S1 ZINC000217006909 262274951 /nfs/dbraw/zinc/27/49/51/262274951.db2.gz YHARWKDOHKWKSQ-WCQYABFASA-N 0 3 297.489 3.816 20 70 CHIDHN CCN(CCO[C@H]1CCCC[C@@H]1C)CCc1nccs1 ZINC000159432508 327189487 /nfs/dbraw/zinc/18/94/87/327189487.db2.gz RXWQAGULVFZEMX-GJZGRUSLSA-N 0 3 296.480 3.603 20 70 CHIDHN COc1ccc(Cl)cc1[C@H](C)N[C@H]1CCCSC1 ZINC000159634067 327548377 /nfs/dbraw/zinc/54/83/77/327548377.db2.gz QKBQFOSORUWFPG-JQWIXIFHSA-N 0 3 285.840 3.895 20 70 CHIDHN Fc1cc(Cl)cc(CNC[C@H]2Cc3ccccc3O2)c1 ZINC000160904496 330879112 /nfs/dbraw/zinc/87/91/12/330879112.db2.gz STTJSSWQNXIEDK-OAHLLOKOSA-N 0 3 291.753 3.572 20 70 CHIDHN c1ccc2c(c1)-c1ccccc1C2N[C@@H]1CCSC1 ZINC000218600016 333133980 /nfs/dbraw/zinc/13/39/80/333133980.db2.gz XMPNJZSWUSYOFQ-GFCCVEGCSA-N 0 3 267.397 3.852 20 70 CHIDHN CCN(Cc1nnc(-c2cc(C)oc2C)o1)C1CCCC1 ZINC000161413680 521461174 /nfs/dbraw/zinc/46/11/74/521461174.db2.gz XJJXGXCABJOBKY-UHFFFAOYSA-N 0 3 289.379 3.711 20 70 CHIDHN CC[C@@H](NCCCOC)c1cccc(Cl)c1F ZINC000161478769 522829571 /nfs/dbraw/zinc/82/95/71/522829571.db2.gz SHTLUGXVXICYMB-GFCCVEGCSA-N 0 3 259.752 3.556 20 70 CHIDHN CCc1oc2ccccc2c1CN(C)CCSC ZINC000216771193 227392771 /nfs/dbraw/zinc/39/27/71/227392771.db2.gz ZMLBIWDTEUOSAD-UHFFFAOYSA-N 0 3 263.406 3.790 20 70 CHIDHN C[C@@H](NC[C@](C)(O)c1ccccc1)c1cccc(F)c1F ZINC000159482552 261186665 /nfs/dbraw/zinc/18/66/65/261186665.db2.gz AZHUVXBQKQOYOD-PXAZEXFGSA-N 0 3 291.341 3.523 20 70 CHIDHN CC(C)Oc1ccc(CN[C@@H]2CCc3ccccc32)cn1 ZINC000160048754 261202609 /nfs/dbraw/zinc/20/26/09/261202609.db2.gz FWGACJUNJZMLKA-QGZVFWFLSA-N 0 3 282.387 3.646 20 70 CHIDHN c1ccc2c(c1)nccc2N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160319591 261211085 /nfs/dbraw/zinc/21/10/85/261211085.db2.gz MKVPZVQONRPXCO-SUMWQHHRSA-N 0 3 268.360 3.604 20 70 CHIDHN CC(C)n1cc([C@@H](C)NCCSc2ccccc2)cn1 ZINC000160523882 261217074 /nfs/dbraw/zinc/21/70/74/261217074.db2.gz MHUNVMPLIFGTLQ-CQSZACIVSA-N 0 3 289.448 3.907 20 70 CHIDHN CC[C@@H](C)CN(CC)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000160589444 261218963 /nfs/dbraw/zinc/21/89/63/261218963.db2.gz HSVGANPBUWZQDZ-OLZOCXBDSA-N 0 3 288.395 3.561 20 70 CHIDHN CCN(Cc1ccccn1)[C@@H](C)c1cccc(C)c1 ZINC000161042674 328121390 /nfs/dbraw/zinc/12/13/90/328121390.db2.gz URPVWSNVDBJEIO-HNNXBMFYSA-N 0 3 254.377 3.973 20 70 CHIDHN CC1(C)C[C@@H](N[C@@H]2CCCSC2)c2ccc(F)cc2O1 ZINC000159582914 327544118 /nfs/dbraw/zinc/54/41/18/327544118.db2.gz WRZSGTWOFXPQIQ-TZMCWYRMSA-N 0 3 295.423 3.913 20 70 CHIDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cncs2)C1(CC)CC ZINC000161299426 329926145 /nfs/dbraw/zinc/92/61/45/329926145.db2.gz HNFXBLHGQXOTHJ-FPMFFAJLSA-N 0 3 282.453 3.778 20 70 CHIDHN c1ccc2c(c1)-c1ccccc1C2N[C@H]1CCSC1 ZINC000218600099 333133845 /nfs/dbraw/zinc/13/38/45/333133845.db2.gz XMPNJZSWUSYOFQ-LBPRGKRZSA-N 0 3 267.397 3.852 20 70 CHIDHN CC[C@H](C)N(C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000160497427 523923336 /nfs/dbraw/zinc/92/33/36/523923336.db2.gz TYTOFQLESMMNTN-VIFPVBQESA-N 0 3 296.212 3.556 20 70 CHIDHN CC[C@H](C)N(C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000160497427 523923337 /nfs/dbraw/zinc/92/33/37/523923337.db2.gz TYTOFQLESMMNTN-VIFPVBQESA-N 0 3 296.212 3.556 20 70 CHIDHN C[C@H](C[C@@H]1CCCO1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000161269471 524628729 /nfs/dbraw/zinc/62/87/29/524628729.db2.gz LBLLXLVOTWTEBO-IVMMDQJWSA-N 0 3 293.382 3.587 20 70 CHIDHN Cc1nccn1CCCCN(C)[C@@H](C)c1ccccc1F ZINC000161426680 527392329 /nfs/dbraw/zinc/39/23/29/527392329.db2.gz LININKGEDUZXPA-AWEZNQCLSA-N 0 3 289.398 3.804 20 70 CHIDHN C[C@H](NCCOc1ccc(Cl)cc1)c1cncc(F)c1 ZINC000159640192 261190209 /nfs/dbraw/zinc/19/02/09/261190209.db2.gz SKLYDRCSOYILPB-NSHDSACASA-N 0 3 294.757 3.604 20 70 CHIDHN CC[C@H](N)C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000160983237 261233395 /nfs/dbraw/zinc/23/33/95/261233395.db2.gz XOQZINMOJYHATJ-GJZGRUSLSA-N 0 3 294.826 3.521 20 70 CHIDHN Cc1ccc2ncc(CN[C@H]3CCCc4sccc43)n2c1 ZINC000160993044 261233532 /nfs/dbraw/zinc/23/35/32/261233532.db2.gz JZFJGUMVOJVSKA-HNNXBMFYSA-N 0 3 297.427 3.871 20 70 CHIDHN COc1ccc(COCCCN[C@@H](C)c2ccco2)cc1 ZINC000161091275 261235925 /nfs/dbraw/zinc/23/59/25/261235925.db2.gz WJQTWZVJDSRXPG-AWEZNQCLSA-N 0 3 289.375 3.546 20 70 CHIDHN C[C@H](NCC1(c2ccc(F)cc2)CC1)c1cncc(F)c1 ZINC000161370795 261245574 /nfs/dbraw/zinc/24/55/74/261245574.db2.gz WFMLBUNDASVCBE-LBPRGKRZSA-N 0 3 288.341 3.742 20 70 CHIDHN CCC(CC)[C@@H](O)CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000218247285 263119038 /nfs/dbraw/zinc/11/90/38/263119038.db2.gz GUIMIHMLNPCEFC-BONVTDFDSA-N 0 3 287.806 3.927 20 70 CHIDHN Cc1ccc2nccc(N[C@@H]3CCO[C@@H](C4CC4)C3)c2c1 ZINC000160394375 264243399 /nfs/dbraw/zinc/24/33/99/264243399.db2.gz XYEYPLMNFGCMER-RDTXWAMCSA-N 0 3 282.387 3.913 20 70 CHIDHN O=C(CN[C@H]1CCC[C@@H]1c1ccccc1)Nc1ccccc1 ZINC000160788544 328085451 /nfs/dbraw/zinc/08/54/51/328085451.db2.gz WAAWTHJNTVFCHR-MSOLQXFVSA-N 0 3 294.398 3.551 20 70 CHIDHN CC[C@H](C)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159574274 327540235 /nfs/dbraw/zinc/54/02/35/327540235.db2.gz AYEBRZWRTSMZEK-YJBOKZPZSA-N 0 3 296.414 3.625 20 70 CHIDHN Cc1csc([C@H](NCCC(C)(C)C)C2CC2)n1 ZINC000159614109 327546840 /nfs/dbraw/zinc/54/68/40/327546840.db2.gz MLSAZHRJFKYJHZ-GFCCVEGCSA-N 0 3 252.427 3.928 20 70 CHIDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000160151905 327596593 /nfs/dbraw/zinc/59/65/93/327596593.db2.gz PTIFZTSODAXVBO-XJKSGUPXSA-N 0 3 281.465 3.575 20 70 CHIDHN C[C@H]1CN(C(=O)c2ccc(CN(C)C)cc2)c2ccccc21 ZINC000160287989 327605201 /nfs/dbraw/zinc/60/52/01/327605201.db2.gz NDZMWWJZTUDLSV-AWEZNQCLSA-N 0 3 294.398 3.512 20 70 CHIDHN C[C@@]1(NCc2cccc(Oc3ccccc3)c2)CCOC1 ZINC000160180147 330860269 /nfs/dbraw/zinc/86/02/69/330860269.db2.gz VHTLWGPBBJYIQU-GOSISDBHSA-N 0 3 283.371 3.748 20 70 CHIDHN CCOc1ccc(CNCc2ccc(CC)s2)cc1 ZINC000218218892 333129622 /nfs/dbraw/zinc/12/96/22/333129622.db2.gz ZUNPAPZPABWGTO-UHFFFAOYSA-N 0 3 275.417 3.999 20 70 CHIDHN CC(C)C[C@@H](NCC(=O)NC(C)C)c1ccc(Cl)cc1 ZINC000161008888 519247501 /nfs/dbraw/zinc/24/75/01/519247501.db2.gz WYFORMZDTAGJPG-OAHLLOKOSA-N 0 3 296.842 3.541 20 70 CHIDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cncc(F)c2)C1(CC)CC ZINC000161310754 520374621 /nfs/dbraw/zinc/37/46/21/520374621.db2.gz ZRWDJPSUHHWZEZ-APHBMKBZSA-N 0 3 294.414 3.855 20 70 CHIDHN CCO[C@H]1C[C@H](N[C@@H](C)c2cncc(F)c2)C1(CC)CC ZINC000161310625 520577667 /nfs/dbraw/zinc/57/76/67/520577667.db2.gz ZRWDJPSUHHWZEZ-RCBQFDQVSA-N 0 3 294.414 3.855 20 70 CHIDHN CC1(C)Cc2occc2[C@H](NC[C@H](CO)c2ccccc2)C1 ZINC000161466746 520588206 /nfs/dbraw/zinc/58/82/06/520588206.db2.gz KEHHJIYSWHTALD-NVXWUHKLSA-N 0 3 299.414 3.659 20 70 CHIDHN CCSCC[C@H](C)N(C)Cc1c(C)nc2ccccn21 ZINC000160904683 521715139 /nfs/dbraw/zinc/71/51/39/521715139.db2.gz BSCKFBVJVTZCQW-ZDUSSCGKSA-N 0 3 291.464 3.606 20 70 CHIDHN CC[C@H](NC[C@@H]1CCCO1)c1cccc(Cl)c1F ZINC000161485355 522616714 /nfs/dbraw/zinc/61/67/14/522616714.db2.gz JCEDKWIIYXBWES-GWCFXTLKSA-N 0 3 271.763 3.699 20 70 CHIDHN C[C@@H](C[C@H]1CCCO1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000161269600 524861411 /nfs/dbraw/zinc/86/14/11/524861411.db2.gz LBLLXLVOTWTEBO-JGGQBBKZSA-N 0 3 293.382 3.587 20 70 CHIDHN CC[C@H](N[C@@H](C)COC)c1cccc(Cl)c1F ZINC000161469271 522688421 /nfs/dbraw/zinc/68/84/21/522688421.db2.gz QQPDQLBMZAOKCX-CABZTGNLSA-N 0 3 259.752 3.555 20 70 CHIDHN CN(Cc1ccc(Cl)cc1)Cc1ccc2c[nH]nc2c1 ZINC000160806728 328087073 /nfs/dbraw/zinc/08/70/73/328087073.db2.gz DPNMDGLJPNAPPM-UHFFFAOYSA-N 0 3 285.778 3.848 20 70 CHIDHN CC(C)NC(=O)CN[C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000160908136 328093873 /nfs/dbraw/zinc/09/38/73/328093873.db2.gz YJZCCGBGDYUGFR-HNNXBMFYSA-N 0 3 296.414 3.529 20 70 CHIDHN CC[C@@H](N[C@@H](C)CSC)c1ccc(F)cc1F ZINC000160940381 328096009 /nfs/dbraw/zinc/09/60/09/328096009.db2.gz IWEQPMZHRPEMRX-TVQRCGJNSA-N 0 3 259.365 3.757 20 70 CHIDHN C[C@H](NCCC(C)(C)O)c1cc2cc(Cl)ccc2o1 ZINC000159884633 327574195 /nfs/dbraw/zinc/57/41/95/327574195.db2.gz PEZJVODKIBKXAF-JTQLQIEISA-N 0 3 281.783 3.898 20 70 CHIDHN CC1(C)C[C@@H](N[C@@H](c2ccccc2)c2ccccn2)CCO1 ZINC000159934398 330854615 /nfs/dbraw/zinc/85/46/15/330854615.db2.gz GMWXKJOVLYRUPJ-WMZOPIPTSA-N 0 3 296.414 3.718 20 70 CHIDHN COc1ccc(CCNCc2ccc(Cl)cc2F)cc1 ZINC000160640392 330870681 /nfs/dbraw/zinc/87/06/81/330870681.db2.gz SCZYHWVGIGHURX-UHFFFAOYSA-N 0 3 293.769 3.820 20 70 CHIDHN COc1ccc(CNCc2cc(F)cc(Cl)c2)cc1 ZINC000160800247 330876330 /nfs/dbraw/zinc/87/63/30/330876330.db2.gz GBYFSSSYRPREFI-UHFFFAOYSA-N 0 3 279.742 3.778 20 70 CHIDHN CC[C@@H](N[C@H](CCO)c1ccccc1)c1cccc(OC)c1 ZINC000160971982 522942902 /nfs/dbraw/zinc/94/29/02/522942902.db2.gz JATXGEDXFKTRIU-RTBURBONSA-N 0 3 299.414 3.860 20 70 CHIDHN COCc1ccccc1CNCc1cc(F)cc(Cl)c1 ZINC000160894367 523103374 /nfs/dbraw/zinc/10/33/74/523103374.db2.gz JLFVHSVXDOMOIP-UHFFFAOYSA-N 0 3 293.769 3.915 20 70 CHIDHN CC(C)C[C@H](N[C@@H]1CCCSC1)c1ccccn1 ZINC000159530590 261188136 /nfs/dbraw/zinc/18/81/36/261188136.db2.gz JDEPWKOKPONOFL-HIFRSBDPSA-N 0 3 264.438 3.654 20 70 CHIDHN COc1ccc2oc([C@@H](C)NCCC(C)(C)O)c(C)c2c1 ZINC000159832916 261195069 /nfs/dbraw/zinc/19/50/69/261195069.db2.gz HOFHLLRSHGFJEH-GFCCVEGCSA-N 0 3 291.391 3.561 20 70 CHIDHN CC[C@@H](CN[C@@H](C)c1cncs1)Oc1ccccc1F ZINC000160314235 261210669 /nfs/dbraw/zinc/21/06/69/261210669.db2.gz RIOFZSCRFPIGRR-RYUDHWBXSA-N 0 3 294.395 3.790 20 70 CHIDHN CC(C)n1cc([C@H](C)NCCSc2ccccc2)cn1 ZINC000160523988 261217313 /nfs/dbraw/zinc/21/73/13/261217313.db2.gz MHUNVMPLIFGTLQ-AWEZNQCLSA-N 0 3 289.448 3.907 20 70 CHIDHN CC[C@H](NCCc1ccccn1)c1ccc(F)cc1F ZINC000160655586 261221345 /nfs/dbraw/zinc/22/13/45/261221345.db2.gz SEVWZZLXYFQDQJ-INIZCTEOSA-N 0 3 276.330 3.643 20 70 CHIDHN CC[C@@H](NCCCCCOC)c1ccc(F)cc1F ZINC000160838674 261228317 /nfs/dbraw/zinc/22/83/17/261228317.db2.gz CXCDXFPKQSKXJB-OAHLLOKOSA-N 0 3 271.351 3.822 20 70 CHIDHN Cc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)c2ccccc2n1 ZINC000160418436 264244308 /nfs/dbraw/zinc/24/43/08/264244308.db2.gz RLFVEOVMRGBUJY-KBXCAEBGSA-N 0 3 282.387 3.913 20 70 CHIDHN Cc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)c2ccccc2n1 ZINC000160418050 264244317 /nfs/dbraw/zinc/24/43/17/264244317.db2.gz RLFVEOVMRGBUJY-KDOFPFPSSA-N 0 3 282.387 3.913 20 70 CHIDHN CCc1ccc([C@H](CO)NCc2ccc(C)cc2C)cc1 ZINC000160797048 328086296 /nfs/dbraw/zinc/08/62/96/328086296.db2.gz YSHSQUCPTGXIQP-IBGZPJMESA-N 0 3 283.415 3.689 20 70 CHIDHN CC(C)NC(=O)CN[C@H](C)c1cccc(-c2ccccc2)c1 ZINC000160908267 328093958 /nfs/dbraw/zinc/09/39/58/328093958.db2.gz YJZCCGBGDYUGFR-OAHLLOKOSA-N 0 3 296.414 3.529 20 70 CHIDHN CCCCC1CCC(N[C@H](C)c2cnccn2)CC1 ZINC000161172196 328150930 /nfs/dbraw/zinc/15/09/30/328150930.db2.gz UTSCUHXQKCTYHD-WLYUNCDWSA-N 0 3 261.413 3.876 20 70 CHIDHN CCCn1c2ccccc2nc1CNC[C@H]1CC1(C)C ZINC000217806122 333124078 /nfs/dbraw/zinc/12/40/78/333124078.db2.gz PCIOFNSIBVYGJD-CYBMUJFWSA-N 0 3 271.408 3.582 20 70 CHIDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccccc1OC(F)F ZINC000218203206 333129312 /nfs/dbraw/zinc/12/93/12/333129312.db2.gz HIXMQLGFUWWCQZ-CORIIIEPSA-N 0 3 299.361 3.896 20 70 CHIDHN CC1(C)Cc2occc2[C@@H](NC[C@H](CO)c2ccccc2)C1 ZINC000161466854 520589084 /nfs/dbraw/zinc/58/90/84/520589084.db2.gz KEHHJIYSWHTALD-WBVHZDCISA-N 0 3 299.414 3.659 20 70 CHIDHN CC[C@H](NC1CCC(O)CC1)c1cccc(Cl)c1F ZINC000161477107 522559255 /nfs/dbraw/zinc/55/92/55/522559255.db2.gz RWQIRBDMIDVKHS-MGULZYLOSA-N 0 3 285.790 3.823 20 70 CHIDHN CC[C@@H](NC[C@@H]1CCCO1)c1cccc(Cl)c1F ZINC000161485476 522853935 /nfs/dbraw/zinc/85/39/35/522853935.db2.gz JCEDKWIIYXBWES-GXFFZTMASA-N 0 3 271.763 3.699 20 70 CHIDHN C[C@@H](C[C@@H]1CCCO1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000161269346 524850637 /nfs/dbraw/zinc/85/06/37/524850637.db2.gz LBLLXLVOTWTEBO-DUVNUKRYSA-N 0 3 293.382 3.587 20 70 CHIDHN c1nc2ccccn2c1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000160419301 526609712 /nfs/dbraw/zinc/60/97/12/526609712.db2.gz JQDBIBGQUHWBGZ-SFHVURJKSA-N 0 3 281.403 3.657 20 70 CHIDHN C[C@H](NCCC(C)(C)O)c1nc(-c2ccccc2)cs1 ZINC000159840038 261195096 /nfs/dbraw/zinc/19/50/96/261195096.db2.gz PEOXOXMRIWTCCK-LBPRGKRZSA-N 0 3 290.432 3.622 20 70 CHIDHN O[C@H]1CCCC[C@@H]1CN[C@H]1CCSc2ccc(F)cc21 ZINC000160444008 261214587 /nfs/dbraw/zinc/21/45/87/261214587.db2.gz WJJMGAPBTVKRCJ-UGFHNGPFSA-N 0 3 295.423 3.503 20 70 CHIDHN CCc1nc(CN[C@H](c2cccc(C)c2)C(C)(C)C)n[nH]1 ZINC000160478206 261215170 /nfs/dbraw/zinc/21/51/70/261215170.db2.gz QHPAHZHJGBOZGW-MRXNPFEDSA-N 0 3 286.423 3.553 20 70 CHIDHN Cc1ncc([C@@H](C)NCCSc2ccccc2)c(C)n1 ZINC000160515872 261217237 /nfs/dbraw/zinc/21/72/37/261217237.db2.gz SSXDNWNWWHHWKD-GFCCVEGCSA-N 0 3 287.432 3.536 20 70 CHIDHN Cc1ccc(SCCN[C@H](C)c2cncs2)cc1 ZINC000160780940 261226132 /nfs/dbraw/zinc/22/61/32/261226132.db2.gz GDEGVZCENDLJCI-GFCCVEGCSA-N 0 3 278.446 3.894 20 70 CHIDHN O=C(CN[C@@H]1CCC[C@@H]1c1ccccc1)Nc1ccccc1 ZINC000160788781 328085480 /nfs/dbraw/zinc/08/54/80/328085480.db2.gz WAAWTHJNTVFCHR-QZTJIDSGSA-N 0 3 294.398 3.551 20 70 CHIDHN CC[C@@H](NCCOC(C)(C)C)c1ccc(F)cc1F ZINC000160837886 328087927 /nfs/dbraw/zinc/08/79/27/328087927.db2.gz MKBCNOKUKGEBAP-CQSZACIVSA-N 0 3 271.351 3.821 20 70 CHIDHN CC[C@@H](N[C@H](C)CSC)c1ccc(F)cc1F ZINC000160940626 328096092 /nfs/dbraw/zinc/09/60/92/328096092.db2.gz IWEQPMZHRPEMRX-NOZJJQNGSA-N 0 3 259.365 3.757 20 70 CHIDHN COc1ccccc1[C@@H](C)NC[C@](C)(O)CCC(C)C ZINC000159369101 327174995 /nfs/dbraw/zinc/17/49/95/327174995.db2.gz PKFKNAGYLBHVRD-RHSMWYFYSA-N 0 3 279.424 3.533 20 70 CHIDHN C[C@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccccc1 ZINC000159825589 327569033 /nfs/dbraw/zinc/56/90/33/327569033.db2.gz LDELYYWAFMUYQP-GJZGRUSLSA-N 0 3 292.386 3.679 20 70 CHIDHN Cc1ccc2c(c1)[C@H](NCc1ccc(OC(C)C)nc1)CC2 ZINC000160084259 327592898 /nfs/dbraw/zinc/59/28/98/327592898.db2.gz ZJMTYSUOUVJOHY-GOSISDBHSA-N 0 3 296.414 3.954 20 70 CHIDHN CC1(C)CC[C@H](CNCc2ccccc2C(F)(F)F)O1 ZINC000160279730 330862378 /nfs/dbraw/zinc/86/23/78/330862378.db2.gz VJIRHWSRRZYBTF-GFCCVEGCSA-N 0 3 287.325 3.753 20 70 CHIDHN CCCn1c2ccccc2nc1CNC[C@@H]1CC1(C)C ZINC000217806031 333124244 /nfs/dbraw/zinc/12/42/44/333124244.db2.gz PCIOFNSIBVYGJD-ZDUSSCGKSA-N 0 3 271.408 3.582 20 70 CHIDHN CCc1nc(CN[C@H](c2cccs2)C(CC)CC)n[nH]1 ZINC000160378287 522354831 /nfs/dbraw/zinc/35/48/31/522354831.db2.gz IDTRFLYZWRXUJQ-HNNXBMFYSA-N 0 3 292.452 3.696 20 70 CHIDHN CCOc1cccc2cc([C@H](C)NCCC(C)(C)O)oc21 ZINC000159775368 261193995 /nfs/dbraw/zinc/19/39/95/261193995.db2.gz CLKGZPHZALXGCP-LBPRGKRZSA-N 0 3 291.391 3.643 20 70 CHIDHN Clc1c(Br)cccc1CNCC1CC1 ZINC000160396902 261213411 /nfs/dbraw/zinc/21/34/11/261213411.db2.gz LNUMIFCGAVEVDX-UHFFFAOYSA-N 0 3 274.589 3.602 20 70 CHIDHN CC(C)Oc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2C)cn1 ZINC000160057062 327590326 /nfs/dbraw/zinc/59/03/26/327590326.db2.gz XPJPAYLIGXTJDO-LIRRHRJNSA-N 0 3 296.414 3.892 20 70 CHIDHN CCCCO[C@@H]1C[C@@H](N[C@@H](C)c2cncc(F)c2)C1(C)C ZINC000159795294 330851597 /nfs/dbraw/zinc/85/15/97/330851597.db2.gz UIPOYTWBSZYHKZ-APHBMKBZSA-N 0 3 294.414 3.855 20 70 CHIDHN C[C@H](NCC1(CO)CCCC1)c1cc2ccccc2o1 ZINC000160075918 330858444 /nfs/dbraw/zinc/85/84/44/330858444.db2.gz XECRWQDJTXQQOP-ZDUSSCGKSA-N 0 3 273.376 3.636 20 70 CHIDHN CCCC1CCC([NH2+]Cc2ccc([O-])c(F)c2)CC1 ZINC000217825708 333124441 /nfs/dbraw/zinc/12/44/41/333124441.db2.gz KJMWGSWNSYSLJM-UHFFFAOYSA-N 0 3 265.372 3.980 20 70 CHIDHN CCc1ccc(CNCc2cc(C)ccc2OC)s1 ZINC000218215589 333129562 /nfs/dbraw/zinc/12/95/62/333129562.db2.gz VEFZFMSOSINQRB-UHFFFAOYSA-N 0 3 275.417 3.917 20 70 CHIDHN CC1(C)Cc2occc2[C@H](NC[C@@H](CO)c2ccccc2)C1 ZINC000161466481 520588161 /nfs/dbraw/zinc/58/81/61/520588161.db2.gz KEHHJIYSWHTALD-DOTOQJQBSA-N 0 3 299.414 3.659 20 70 CHIDHN Cc1cccc2c1CC[C@H]2N[C@H](CCO)c1ccccc1 ZINC000160960646 524941658 /nfs/dbraw/zinc/94/16/58/524941658.db2.gz DTHOFRCPXQWLHB-RTBURBONSA-N 0 3 281.399 3.696 20 70 CHIDHN Cc1ccc(C(=O)CCN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000160360215 526044684 /nfs/dbraw/zinc/04/46/84/526044684.db2.gz OEFBWERMWQWFEM-QGZVFWFLSA-N 0 3 282.387 3.733 20 70 CHIDHN Cc1ncccc1CN[C@@H]1CCCc2sccc21 ZINC000160994968 527361616 /nfs/dbraw/zinc/36/16/16/527361616.db2.gz UGSYJGVYPFCXLP-CQSZACIVSA-N 0 3 258.390 3.619 20 70 CHIDHN CC(C)C[C@@H](N[C@H]1CCCSC1)c1ccccn1 ZINC000159530974 261188166 /nfs/dbraw/zinc/18/81/66/261188166.db2.gz JDEPWKOKPONOFL-DZGCQCFKSA-N 0 3 264.438 3.654 20 70 CHIDHN CC(C)(C)C[C@@H](NCC(=O)NC(C)(C)C)c1ccccc1 ZINC000159871875 262385959 /nfs/dbraw/zinc/38/59/59/262385959.db2.gz CURUZCWUYWKDEG-OAHLLOKOSA-N 0 3 290.451 3.668 20 70 CHIDHN C[C@H](NCC(=O)Nc1ccccc1)C(C)(C)c1ccccc1 ZINC000160784917 328085520 /nfs/dbraw/zinc/08/55/20/328085520.db2.gz JYZZWGDMNBXZCQ-HNNXBMFYSA-N 0 3 296.414 3.581 20 70 CHIDHN Cc1ccn2c(CN[C@H]3CCCc4sccc43)cnc2c1 ZINC000160982676 328113402 /nfs/dbraw/zinc/11/34/02/328113402.db2.gz MCDKZYFCIXGDIH-HNNXBMFYSA-N 0 3 297.427 3.871 20 70 CHIDHN CCC[C@H](NC[C@]1(C)CCCS1)c1ccccn1 ZINC000159367818 327174990 /nfs/dbraw/zinc/17/49/90/327174990.db2.gz KNOCCKXPCXGHCD-ZFWWWQNUSA-N 0 3 264.438 3.798 20 70 CHIDHN CCCCN(C(=O)[C@@H](N)CC)[C@H](CC)c1ccccc1 ZINC000159781887 327563608 /nfs/dbraw/zinc/56/36/08/327563608.db2.gz ZLGMDJPFCOBQCJ-JKSUJKDBSA-N 0 3 276.424 3.504 20 70 CHIDHN C[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccccc1 ZINC000159825718 327568987 /nfs/dbraw/zinc/56/89/87/327568987.db2.gz LDELYYWAFMUYQP-CABCVRRESA-N 0 3 292.386 3.679 20 70 CHIDHN CC[C@@H](C)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159574396 330849220 /nfs/dbraw/zinc/84/92/20/330849220.db2.gz AYEBRZWRTSMZEK-CRAIPNDOSA-N 0 3 296.414 3.625 20 70 CHIDHN CC1(C)CC[C@@H](CNCc2ccccc2C(F)(F)F)O1 ZINC000160279852 330862406 /nfs/dbraw/zinc/86/24/06/330862406.db2.gz VJIRHWSRRZYBTF-LBPRGKRZSA-N 0 3 287.325 3.753 20 70 CHIDHN CC1(C)C[C@H](Nc2ccnc3ccccc32)CCO1 ZINC000160695360 330873706 /nfs/dbraw/zinc/87/37/06/330873706.db2.gz BEYKAKNOOHAVSI-GFCCVEGCSA-N 0 3 256.349 3.604 20 70 CHIDHN Fc1ccc(CNCc2cccc3cc[nH]c32)cc1F ZINC000218138481 333127345 /nfs/dbraw/zinc/12/73/45/333127345.db2.gz WJMFSRSJCGMFQJ-UHFFFAOYSA-N 0 3 272.298 3.736 20 70 CHIDHN Cn1cccc1[C@H]1CCCN1C/C=C/c1ccccc1 ZINC000218754948 333135803 /nfs/dbraw/zinc/13/58/03/333135803.db2.gz DTSDPEUERGBHMB-YPHWWSSASA-N 0 3 266.388 3.875 20 70 CHIDHN CC(C)(C)c1n[nH]cc1CN[C@H]1CCCc2sccc21 ZINC000160969511 519089223 /nfs/dbraw/zinc/08/92/23/519089223.db2.gz YQKHXKIJBNWCAT-ZDUSSCGKSA-N 0 3 289.448 3.936 20 70 CHIDHN CC(C)c1noc(CCCN[C@H](C)c2ccccc2F)n1 ZINC000160759268 519903119 /nfs/dbraw/zinc/90/31/19/519903119.db2.gz RPXSPVMRZFFXBJ-GFCCVEGCSA-N 0 3 291.370 3.616 20 70 CHIDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccco2)C12CCCC2 ZINC000160765532 520436371 /nfs/dbraw/zinc/43/63/71/520436371.db2.gz KCWAHDBUUNJHMW-VHDGCEQUSA-N 0 3 263.381 3.668 20 70 CHIDHN CC[C@H](NC[C@H]1CCCC[C@@H]1O)c1cc(F)ccc1F ZINC000160507002 522631333 /nfs/dbraw/zinc/63/13/33/522631333.db2.gz WKUYLPULVHJZDZ-RLCCDNCMSA-N 0 3 283.362 3.557 20 70 CHIDHN C[C@@H](N[C@H]1CCCSC1)c1cc(F)c(F)c(F)c1 ZINC000159571236 261188974 /nfs/dbraw/zinc/18/89/74/261188974.db2.gz AMJOLWBAVPKWQN-SCZZXKLOSA-N 0 3 275.339 3.650 20 70 CHIDHN C[C@H](N[C@H]1CCCSC1)c1cc(F)c(F)c(F)c1 ZINC000159571061 261188991 /nfs/dbraw/zinc/18/89/91/261188991.db2.gz AMJOLWBAVPKWQN-WPRPVWTQSA-N 0 3 275.339 3.650 20 70 CHIDHN C[C@@H](C1CC1)N(Cc1cncs1)Cc1ccccc1 ZINC000159672638 261191648 /nfs/dbraw/zinc/19/16/48/261191648.db2.gz ZVBVVWHZGBAUPT-ZDUSSCGKSA-N 0 3 272.417 3.944 20 70 CHIDHN Cc1ccc(NC(=O)CCC(C)(C)C)c(CN(C)C)c1 ZINC000160324144 261211057 /nfs/dbraw/zinc/21/10/57/261211057.db2.gz UKSQAOSIBOZHGA-UHFFFAOYSA-N 0 3 276.424 3.821 20 70 CHIDHN CCc1nc(CN[C@@H](c2ccccc2C)C(C)(C)C)n[nH]1 ZINC000160476138 261215116 /nfs/dbraw/zinc/21/51/16/261215116.db2.gz LSWJADHTMRCCCV-INIZCTEOSA-N 0 3 286.423 3.553 20 70 CHIDHN CCN(Cc1ccccn1)[C@H]1CCCc2ccccc21 ZINC000161185278 328214997 /nfs/dbraw/zinc/21/49/97/328214997.db2.gz DZXHTSOMASGFFT-SFHVURJKSA-N 0 3 266.388 3.981 20 70 CHIDHN Cc1cc(N(C)Cc2ccco2)c2ccccc2n1 ZINC000218466431 329067583 /nfs/dbraw/zinc/06/75/83/329067583.db2.gz RBWHXWZKUZPTEU-UHFFFAOYSA-N 0 3 252.317 3.773 20 70 CHIDHN CC(C)C[C@@H](NC[C@H](CO)c1ccccc1)c1ccccn1 ZINC000161422234 329931382 /nfs/dbraw/zinc/93/13/82/329931382.db2.gz RGVCQEKVGTXTNW-IEBWSBKVSA-N 0 3 298.430 3.535 20 70 CHIDHN CCCCO[C@@H]1C[C@H](N[C@@H](C)c2cncc(F)c2)C1(C)C ZINC000159795024 330851501 /nfs/dbraw/zinc/85/15/01/330851501.db2.gz UIPOYTWBSZYHKZ-VBNZEHGJSA-N 0 3 294.414 3.855 20 70 CHIDHN c1cc2cccc(CN[C@H]3CCc4ccccc43)c2[nH]1 ZINC000218083121 333126573 /nfs/dbraw/zinc/12/65/73/333126573.db2.gz XBUBRMJCGSNYPM-KRWDZBQOSA-N 0 3 262.356 3.945 20 70 CHIDHN CC(C)(C)c1n[nH]cc1CN[C@@H]1CCCc2sccc21 ZINC000160969382 519091006 /nfs/dbraw/zinc/09/10/06/519091006.db2.gz YQKHXKIJBNWCAT-CYBMUJFWSA-N 0 3 289.448 3.936 20 70 CHIDHN C[C@H](NCCCc1nc2c(s1)CCCC2)c1ccco1 ZINC000160620208 525346141 /nfs/dbraw/zinc/34/61/41/525346141.db2.gz LYDREKBUYWEGQH-LBPRGKRZSA-N 0 3 290.432 3.898 20 70 CHIDHN CCCOc1ccc([C@H](C)N[C@H](CC)COC)cc1OC ZINC000160008304 260941072 /nfs/dbraw/zinc/94/10/72/260941072.db2.gz PSONMRXBJHUVKP-DZGCQCFKSA-N 0 3 295.423 3.560 20 70 CHIDHN CC[C@H](CN[C@@H](C)c1cncs1)Oc1ccccc1F ZINC000160314353 261210961 /nfs/dbraw/zinc/21/09/61/261210961.db2.gz RIOFZSCRFPIGRR-NWDGAFQWSA-N 0 3 294.395 3.790 20 70 CHIDHN OCCC[C@@H](N[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000160732092 261225247 /nfs/dbraw/zinc/22/52/47/261225247.db2.gz VUARVEZDMGQGTB-RTBURBONSA-N 0 3 281.399 3.777 20 70 CHIDHN CC[C@H](NCCOC(C)(C)C)c1ccc(F)cc1F ZINC000160837776 328088053 /nfs/dbraw/zinc/08/80/53/328088053.db2.gz MKBCNOKUKGEBAP-AWEZNQCLSA-N 0 3 271.351 3.821 20 70 CHIDHN COc1ccc([C@H](C)NC[C@](C)(O)CCC(C)C)cc1F ZINC000159362252 327175478 /nfs/dbraw/zinc/17/54/78/327175478.db2.gz PYIAYKLRODAHPU-SUMWQHHRSA-N 0 3 297.414 3.672 20 70 CHIDHN CCCCCOc1ccc(CN[C@]2(C)CCOC2)cc1 ZINC000160183298 330860396 /nfs/dbraw/zinc/86/03/96/330860396.db2.gz NLBIGNNWTZGXIM-QGZVFWFLSA-N 0 3 277.408 3.524 20 70 CHIDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(F)c(F)c1 ZINC000218059698 333126282 /nfs/dbraw/zinc/12/62/82/333126282.db2.gz VAQQSSHJOWLKIN-COLVAYQJSA-N 0 3 269.335 3.573 20 70 CHIDHN CCO[C@H]1C[C@@H](N[C@@H](C)c2cnn(CC)c2)C1(CC)CC ZINC000161305609 520552456 /nfs/dbraw/zinc/55/24/56/520552456.db2.gz DBMDORLRVYRYLW-IMJJTQAJSA-N 0 3 293.455 3.537 20 70 CHIDHN CN(C)Cc1cccc(NCc2cc(F)cc(F)c2)c1 ZINC000160603461 521930941 /nfs/dbraw/zinc/93/09/41/521930941.db2.gz QBYFWQONEGHCRM-UHFFFAOYSA-N 0 3 276.330 3.639 20 70 CHIDHN CC[C@H](NCCCOC)c1cccc(Cl)c1F ZINC000161478654 522584647 /nfs/dbraw/zinc/58/46/47/522584647.db2.gz SHTLUGXVXICYMB-LBPRGKRZSA-N 0 3 259.752 3.556 20 70 CHIDHN CC[C@@H](NC[C@H]1CCCC[C@@H]1O)c1cc(F)ccc1F ZINC000160507112 522863687 /nfs/dbraw/zinc/86/36/87/522863687.db2.gz WKUYLPULVHJZDZ-LYRGGWFBSA-N 0 3 283.362 3.557 20 70 CHIDHN CC[C@H]1CCCC[C@@H]1NCc1csc([C@@H](C)OC)n1 ZINC000161426958 523045459 /nfs/dbraw/zinc/04/54/59/523045459.db2.gz NFWKTSZISWXZAM-DYEKYZERSA-N 0 3 282.453 3.909 20 70 CHIDHN Cc1ncccc1CN[C@H]1CCCc2sccc21 ZINC000160995070 527361031 /nfs/dbraw/zinc/36/10/31/527361031.db2.gz UGSYJGVYPFCXLP-AWEZNQCLSA-N 0 3 258.390 3.619 20 70 CHIDHN c1ccc2c(c1)nccc2N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160319347 261210693 /nfs/dbraw/zinc/21/06/93/261210693.db2.gz MKVPZVQONRPXCO-GUYCJALGSA-N 0 3 268.360 3.604 20 70 CHIDHN CC[C@H](CN[C@H](C)c1cncs1)Oc1ccccc1F ZINC000160314578 261211071 /nfs/dbraw/zinc/21/10/71/261211071.db2.gz RIOFZSCRFPIGRR-VXGBXAGGSA-N 0 3 294.395 3.790 20 70 CHIDHN CCc1nc(CN[C@H](CC(C)C)c2ccccc2C)n[nH]1 ZINC000160425824 261214486 /nfs/dbraw/zinc/21/44/86/261214486.db2.gz CYKKVVUYVVUNJS-OAHLLOKOSA-N 0 3 286.423 3.553 20 70 CHIDHN CCc1nc(CN[C@@H](c2cccc(C)c2)C(C)(C)C)n[nH]1 ZINC000160478083 261215086 /nfs/dbraw/zinc/21/50/86/261215086.db2.gz QHPAHZHJGBOZGW-INIZCTEOSA-N 0 3 286.423 3.553 20 70 CHIDHN OCCC[C@@H](N[C@H]1CCc2ccccc21)c1ccccc1 ZINC000160732350 261225121 /nfs/dbraw/zinc/22/51/21/261225121.db2.gz VUARVEZDMGQGTB-MOPGFXCFSA-N 0 3 281.399 3.777 20 70 CHIDHN C[C@@H](NCC1(c2ccc(F)cc2)CC1)c1cncs1 ZINC000161356839 261245583 /nfs/dbraw/zinc/24/55/83/261245583.db2.gz FYWAWKORYYCMQM-LLVKDONJSA-N 0 3 276.380 3.665 20 70 CHIDHN CCc1ccc(CNCc2ccc(NC(C)=O)cc2)s1 ZINC000218219502 263095120 /nfs/dbraw/zinc/09/51/20/263095120.db2.gz PUXFKRJXRBGMLL-UHFFFAOYSA-N 0 3 288.416 3.559 20 70 CHIDHN CC[C@H](N[C@H](C)CSC)c1ccc(F)cc1F ZINC000160940514 328096003 /nfs/dbraw/zinc/09/60/03/328096003.db2.gz IWEQPMZHRPEMRX-RNCFNFMXSA-N 0 3 259.365 3.757 20 70 CHIDHN CCC[C@@H](NC[C@@]1(C)CCCS1)c1ccccn1 ZINC000159368201 327175021 /nfs/dbraw/zinc/17/50/21/327175021.db2.gz KNOCCKXPCXGHCD-UKRRQHHQSA-N 0 3 264.438 3.798 20 70 CHIDHN CC[C@@H](N[C@H]1CCCSC1)c1cc(F)ccc1F ZINC000159554154 327534410 /nfs/dbraw/zinc/53/44/10/327534410.db2.gz LSNZMSARYOOMBX-SMDDNHRTSA-N 0 3 271.376 3.901 20 70 CHIDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(F)cc1F ZINC000218058976 333126276 /nfs/dbraw/zinc/12/62/76/333126276.db2.gz BKDOHBDNVLHQKS-NZVBXONLSA-N 0 3 269.335 3.573 20 70 CHIDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(F)c(F)c1 ZINC000218059612 333126341 /nfs/dbraw/zinc/12/63/41/333126341.db2.gz VAQQSSHJOWLKIN-NZVBXONLSA-N 0 3 269.335 3.573 20 70 CHIDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cncc(F)c2)C1(CC)CC ZINC000161310880 520433960 /nfs/dbraw/zinc/43/39/60/520433960.db2.gz ZRWDJPSUHHWZEZ-VBNZEHGJSA-N 0 3 294.414 3.855 20 70 CHIDHN CC1(C)Cc2occc2[C@@H](NC[C@@H](CO)c2ccccc2)C1 ZINC000161466593 520588741 /nfs/dbraw/zinc/58/87/41/520588741.db2.gz KEHHJIYSWHTALD-RDJZCZTQSA-N 0 3 299.414 3.659 20 70 CHIDHN CCSCC[C@@H](C)N(C)Cc1c(C)nc2ccccn21 ZINC000160904560 521712085 /nfs/dbraw/zinc/71/20/85/521712085.db2.gz BSCKFBVJVTZCQW-CYBMUJFWSA-N 0 3 291.464 3.606 20 70 CHIDHN CC[C@H](NC[C@H]1CCCCO1)c1ccc(F)cc1F ZINC000160825293 522631464 /nfs/dbraw/zinc/63/14/64/522631464.db2.gz VOPXVMZANYHBMI-DOMZBBRYSA-N 0 3 269.335 3.575 20 70 CHIDHN CC[C@@H]1CCCC[C@H]1NCc1csc([C@@H](C)OC)n1 ZINC000161427056 523223946 /nfs/dbraw/zinc/22/39/46/523223946.db2.gz NFWKTSZISWXZAM-YRGRVCCFSA-N 0 3 282.453 3.909 20 70 CHIDHN Cc1cc(C)cc(CCN[C@@H](C)c2cncs2)c1 ZINC000159470392 261187073 /nfs/dbraw/zinc/18/70/73/261187073.db2.gz BZSKFNXCYABNFP-ZDUSSCGKSA-N 0 3 260.406 3.653 20 70 CHIDHN C[C@H](NC[C@@](C)(O)c1ccccc1)c1cccc(F)c1F ZINC000159482700 261186993 /nfs/dbraw/zinc/18/69/93/261186993.db2.gz AZHUVXBQKQOYOD-YVEFUNNKSA-N 0 3 291.341 3.523 20 70 CHIDHN Fc1ccc2c(c1)[C@@H](N[C@H]1CCCSC1)CCCO2 ZINC000159549646 261188237 /nfs/dbraw/zinc/18/82/37/261188237.db2.gz NZYOKUFGLDOLFM-JSGCOSHPSA-N 0 3 281.396 3.525 20 70 CHIDHN CC[C@H](NCCCCCOC)c1ccc(F)cc1F ZINC000160838524 261227808 /nfs/dbraw/zinc/22/78/08/261227808.db2.gz CXCDXFPKQSKXJB-HNNXBMFYSA-N 0 3 271.351 3.822 20 70 CHIDHN Cc1ccc(SCCN[C@@H](C)c2cncc(F)c2)cc1 ZINC000160834986 261228352 /nfs/dbraw/zinc/22/83/52/261228352.db2.gz KITJNMPHLWMECT-ZDUSSCGKSA-N 0 3 290.407 3.972 20 70 CHIDHN Cc1ncc([C@@H](C)NCC2(c3ccc(F)cc3)CC2)c(C)n1 ZINC000161357926 261245597 /nfs/dbraw/zinc/24/55/97/261245597.db2.gz NHOVBXKMIPFBCJ-GFCCVEGCSA-N 0 3 299.393 3.615 20 70 CHIDHN Cc1ccc2nccc(N[C@@H]3CCO[C@H](C4CC4)C3)c2c1 ZINC000160394092 264243349 /nfs/dbraw/zinc/24/33/49/264243349.db2.gz XYEYPLMNFGCMER-KDOFPFPSSA-N 0 3 282.387 3.913 20 70 CHIDHN COc1ccc([C@@H](C)NC[C@@](C)(O)CCC(C)C)cc1F ZINC000159362399 327175535 /nfs/dbraw/zinc/17/55/35/327175535.db2.gz PYIAYKLRODAHPU-DYVFJYSZSA-N 0 3 297.414 3.672 20 70 CHIDHN C[C@@H](NCCCc1cccc(F)c1)c1cncs1 ZINC000159764044 327562135 /nfs/dbraw/zinc/56/21/35/327562135.db2.gz GIJYBTXIJNGTJW-LLVKDONJSA-N 0 3 264.369 3.566 20 70 CHIDHN CCCCO[C@H]1C[C@H](N[C@@H](C)c2cncc(F)c2)C1(C)C ZINC000159795163 330851599 /nfs/dbraw/zinc/85/15/99/330851599.db2.gz UIPOYTWBSZYHKZ-RCBQFDQVSA-N 0 3 294.414 3.855 20 70 CHIDHN CCOc1ccccc1CNCc1ccc(CC)s1 ZINC000218218753 333129489 /nfs/dbraw/zinc/12/94/89/333129489.db2.gz WFISNYOGOGRTLC-UHFFFAOYSA-N 0 3 275.417 3.999 20 70 CHIDHN CC(C)c1noc(CCCN[C@@H](C)c2ccccc2F)n1 ZINC000160759149 519901886 /nfs/dbraw/zinc/90/18/86/519901886.db2.gz RPXSPVMRZFFXBJ-LBPRGKRZSA-N 0 3 291.370 3.616 20 70 CHIDHN CCCCC[C@H](NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000160399313 520313889 /nfs/dbraw/zinc/31/38/89/520313889.db2.gz BTPXPBRBYCKLEK-HNNXBMFYSA-N 0 3 286.423 3.778 20 70 CHIDHN C[C@@H](NC[C@@](C)(O)c1ccccc1)c1cccc(F)c1F ZINC000159482824 261186938 /nfs/dbraw/zinc/18/69/38/261186938.db2.gz AZHUVXBQKQOYOD-SJKOYZFVSA-N 0 3 291.341 3.523 20 70 CHIDHN Cc1nn(C)cc1CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000159671307 261190895 /nfs/dbraw/zinc/19/08/95/261190895.db2.gz COWKGCHFMHPSHE-OAHLLOKOSA-N 0 3 283.419 3.529 20 70 CHIDHN C[C@@H](NCCC(C)(C)O)c1nc(-c2ccccc2)cs1 ZINC000159840175 261195337 /nfs/dbraw/zinc/19/53/37/261195337.db2.gz PEOXOXMRIWTCCK-GFCCVEGCSA-N 0 3 290.432 3.622 20 70 CHIDHN CCc1nc(CN[C@H](c2ccccc2C)C(C)(C)C)n[nH]1 ZINC000160476268 261215054 /nfs/dbraw/zinc/21/50/54/261215054.db2.gz LSWJADHTMRCCCV-MRXNPFEDSA-N 0 3 286.423 3.553 20 70 CHIDHN CC1(C)C[C@@H](NCc2ccc(-c3ccccc3)o2)CCO1 ZINC000160597302 261219063 /nfs/dbraw/zinc/21/90/63/261219063.db2.gz ZIZLSSFLBBYNSM-HNNXBMFYSA-N 0 3 285.387 3.994 20 70 CHIDHN OCCC[C@H](N[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000160732221 261224978 /nfs/dbraw/zinc/22/49/78/261224978.db2.gz VUARVEZDMGQGTB-RBUKOAKNSA-N 0 3 281.399 3.777 20 70 CHIDHN OCC[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000160933649 261231516 /nfs/dbraw/zinc/23/15/16/261231516.db2.gz SXHBKDRLSLSDCS-QZTJIDSGSA-N 0 3 285.362 3.526 20 70 CHIDHN OCC[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000160933785 261232069 /nfs/dbraw/zinc/23/20/69/261232069.db2.gz SXHBKDRLSLSDCS-MSOLQXFVSA-N 0 3 285.362 3.526 20 70 CHIDHN c1cc2c(s1)CCC[C@H]2NCc1ccc2c[nH]nc2c1 ZINC000160957474 261232888 /nfs/dbraw/zinc/23/28/88/261232888.db2.gz KRNYJXNNPADZBQ-CQSZACIVSA-N 0 3 283.400 3.792 20 70 CHIDHN CCc1ccc(CNCc2c[nH]nc2-c2ccccc2)s1 ZINC000218218528 263095513 /nfs/dbraw/zinc/09/55/13/263095513.db2.gz VLECHOWIHADAED-UHFFFAOYSA-N 0 3 297.427 3.990 20 70 CHIDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cc(F)ccc1F ZINC000218040276 333126003 /nfs/dbraw/zinc/12/60/03/333126003.db2.gz BRXFCQULXSSLOI-NZVBXONLSA-N 0 3 269.335 3.573 20 70 CHIDHN CCCCC[C@@H](NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000160399439 520293573 /nfs/dbraw/zinc/29/35/73/520293573.db2.gz BTPXPBRBYCKLEK-OAHLLOKOSA-N 0 3 286.423 3.778 20 70 CHIDHN CC[C@H](NC[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1F ZINC000160560060 522616195 /nfs/dbraw/zinc/61/61/95/522616195.db2.gz JVYAQTDVXINURF-UVBJJODRSA-N 0 3 283.362 3.557 20 70 CHIDHN C[C@@H](NC[C@@H](CO)c1ccccc1)c1ccc(Cl)s1 ZINC000161448594 261246988 /nfs/dbraw/zinc/24/69/88/261246988.db2.gz ANMSOVPLBVMVNJ-YPMHNXCESA-N 0 3 295.835 3.828 20 70 CHIDHN CC(C)[C@H](c1ccccc1Cl)N(C)CCn1cccn1 ZINC000217181665 260078042 /nfs/dbraw/zinc/07/80/42/260078042.db2.gz HAZYHXLMNQKBMB-MRXNPFEDSA-N 0 3 291.826 3.866 20 70 CHIDHN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCCSC1)CCCO2 ZINC000159549366 261188178 /nfs/dbraw/zinc/18/81/78/261188178.db2.gz NZYOKUFGLDOLFM-OCCSQVGLSA-N 0 3 281.396 3.525 20 70 CHIDHN OCCC[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000160671617 261222462 /nfs/dbraw/zinc/22/24/62/261222462.db2.gz ZNBALKLUXYKURO-RTBURBONSA-N 0 3 299.389 3.916 20 70 CHIDHN Cc1ccc2nccc(N[C@H]3CCO[C@H](C4CC4)C3)c2c1 ZINC000160394217 264242696 /nfs/dbraw/zinc/24/26/96/264242696.db2.gz XYEYPLMNFGCMER-KSSFIOAISA-N 0 3 282.387 3.913 20 70 CHIDHN Cc1ccc(C)c([C@H](C)NCc2ccc(NC(N)=O)cc2)c1 ZINC000160704858 327974681 /nfs/dbraw/zinc/97/46/81/327974681.db2.gz QOKIMXNDXYGAIU-AWEZNQCLSA-N 0 3 297.402 3.645 20 70 CHIDHN CC(C)=CCC[C@H](C)NCc1cn2ccccc2n1 ZINC000159412408 327183243 /nfs/dbraw/zinc/18/32/43/327183243.db2.gz QQHFJTKQXXHATL-AWEZNQCLSA-N 0 3 257.381 3.559 20 70 CHIDHN Fc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(Cl)c1 ZINC000159651360 327550399 /nfs/dbraw/zinc/55/03/99/327550399.db2.gz OSJCMYVGGFLMNR-CFVMTHIKSA-N 0 3 295.785 3.526 20 70 CHIDHN CC[C@@H](NC[C@H]1CCCO1)c1cccc(Cl)c1F ZINC000161485712 522864998 /nfs/dbraw/zinc/86/49/98/522864998.db2.gz JCEDKWIIYXBWES-ZWNOBZJWSA-N 0 3 271.763 3.699 20 70 CHIDHN c1nc2ccccn2c1CN1CCC[C@]2(CC=CCC2)C1 ZINC000160419436 526609015 /nfs/dbraw/zinc/60/90/15/526609015.db2.gz JQDBIBGQUHWBGZ-GOSISDBHSA-N 0 3 281.403 3.657 20 70 CHIDHN