smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000019634642 342952878 /nfs/dbraw/zinc/95/28/78/342952878.db2.gz BJJBVQAWVRUBKV-GJZGRUSLSA-N 0 3 248.414 2.616 1 0 BFAFHN CCCN1CCc2cc3ccccc3n2CC1 ZINC000013535380 169209203 /nfs/dbraw/zinc/20/92/03/169209203.db2.gz JYGINDGSAFNALQ-UHFFFAOYSA-N 0 3 228.339 2.909 1 0 BFAFHN CN1CCc2c3c(ccc2Cl)CC[C@H]3C1 ZINC000027713545 173167261 /nfs/dbraw/zinc/16/72/61/173167261.db2.gz HSVQHQJUIUIWCQ-JTQLQIEISA-N 0 3 221.731 2.858 1 0 BFAFHN CN1CCc2ccc(Cl)c3c2[C@@H](CC3)C1 ZINC000027712442 173172399 /nfs/dbraw/zinc/17/23/99/173172399.db2.gz HDFJHMACFRDUNC-JTQLQIEISA-N 0 3 221.731 2.858 1 0 BFAFHN CCCN1CCC=C2c3cc(O)ccc3OC[C@H]21 ZINC000027849129 169191033 /nfs/dbraw/zinc/19/10/33/169191033.db2.gz GOAIESIEBXUUKO-CQSZACIVSA-N 0 3 245.322 2.652 1 0 BFAFHN CCCN1CCC=C(c2csc(C)n2)C1 ZINC000026848298 169191843 /nfs/dbraw/zinc/19/18/43/169191843.db2.gz MQLUFBOCYMRCRW-UHFFFAOYSA-N 0 3 222.357 2.951 1 0 BFAFHN CCCN1CCO[C@H]2c3ccccc3CC[C@H]21 ZINC000029392759 169204565 /nfs/dbraw/zinc/20/45/65/169204565.db2.gz AWZLBZREVQLYFE-CABCVRRESA-N 0 3 231.339 2.785 1 0 BFAFHN CN1CCCC[C@H]1[C@@H]1CCc2cccc(O)c2O1 ZINC000013471340 173009588 /nfs/dbraw/zinc/00/95/88/173009588.db2.gz JCNVDCJZLABBNW-JSGCOSHPSA-N 0 3 247.338 2.570 1 0 BFAFHN CN1C[C@@H](c2ccc(Cl)c(Cl)c2)OC1=N ZINC000045168284 173188764 /nfs/dbraw/zinc/18/87/64/173188764.db2.gz FIVVQLCWEXBXAM-VIFPVBQESA-N 0 3 245.109 2.931 1 0 BFAFHN CN1C[C@H](c2ccc(Cl)c(Cl)c2)OC1=N ZINC000045168281 173196538 /nfs/dbraw/zinc/19/65/38/173196538.db2.gz FIVVQLCWEXBXAM-SECBINFHSA-N 0 3 245.109 2.931 1 0 BFAFHN CNCc1ccc(-c2nn(C)c3ccccc32)o1 ZINC000073198548 173387883 /nfs/dbraw/zinc/38/78/83/173387883.db2.gz JVWUJLHXHXHUDJ-UHFFFAOYSA-N 0 3 241.294 2.553 1 0 BFAFHN COc1cc2c(cc1OC)[C@@H](N(C)C)C(C)=C2 ZINC000169318018 175025152 /nfs/dbraw/zinc/02/51/52/175025152.db2.gz JHGCVNLHWVXBIZ-AWEZNQCLSA-N 0 3 233.311 2.723 1 0 BFAFHN Cc1cccc(OC2=CCN(C)CC2)c1 ZINC000013603036 179162542 /nfs/dbraw/zinc/16/25/42/179162542.db2.gz VTZZJNOMDLNCHI-UHFFFAOYSA-N 0 3 203.285 2.593 1 0 BFAFHN CCCN1CCC[C@@H]2c3cc(O)ccc3OC[C@H]21 ZINC000000004090 169198021 /nfs/dbraw/zinc/19/80/21/169198021.db2.gz GSLWRDKYYIQKIM-TZMCWYRMSA-N 0 3 247.338 2.743 1 0 BFAFHN CC(C)Oc1cccc(OC(C)C)c1CN ZINC000103267468 167307219 /nfs/dbraw/zinc/30/72/19/167307219.db2.gz IQLJYRVOZQERBH-UHFFFAOYSA-N 0 3 223.316 2.720 1 0 BFAFHN COc1ccc(C)c2c1OC[C@@H]1[C@@H]2CCCN1C ZINC000027853675 175070395 /nfs/dbraw/zinc/07/03/95/175070395.db2.gz RPENLLADCXGWAG-NWDGAFQWSA-N 0 3 247.338 2.574 1 0 BFAFHN COc1cccc(C(=O)[C@@H](C)NC2CCCC2)c1 ZINC000045339554 175247185 /nfs/dbraw/zinc/24/71/85/175247185.db2.gz ZMRXSORFBXMBCB-LLVKDONJSA-N 0 3 247.338 2.799 1 0 in-vivo BFAFHN O[C@@H]1C[C@H](c2ccco2)NC2(CCCCC2)C1 ZINC000000335496 183211523 /nfs/dbraw/zinc/21/15/23/183211523.db2.gz AIQYSLMWCIICFG-VXGBXAGGSA-N 0 3 235.327 2.768 3 0 BFAFHN CC1=C[C@@H]2c3ccccc3CC[C@H]2N(C)C1 ZINC000027889133 168126655 /nfs/dbraw/zinc/12/66/55/168126655.db2.gz ZUMIIVFYBVDSAZ-HUUCEWRRSA-N 0 3 213.324 2.977 1 0 BFAFHN CC[C@@H]1c2cc(OC)c(OC)cc2CCN1C ZINC000169309107 171162674 /nfs/dbraw/zinc/16/26/74/171162674.db2.gz GMODQPOUSSZBSO-GFCCVEGCSA-N 0 3 235.327 2.643 1 0 BFAFHN CN1CCCC[C@H]1[C@H]1CCc2ccc(O)cc2O1 ZINC000013471330 173009335 /nfs/dbraw/zinc/00/93/35/173009335.db2.gz BWEKAFCCTNIBFD-UONOGXRCSA-N 0 3 247.338 2.570 1 0 BFAFHN CN1[C@H]2C=C(c3ccc(Cl)cn3)C[C@@H]1CC2 ZINC000027653467 173207122 /nfs/dbraw/zinc/20/71/22/173207122.db2.gz MHYACAYHOKNGQE-NEPJUHHUSA-N 0 3 234.730 2.985 1 0 BFAFHN COc1ccc2c(c1)[C@]1(CCN(C)C1)CCC2 ZINC000027733662 175215342 /nfs/dbraw/zinc/21/53/42/175215342.db2.gz WAGQXNPXOFBRMT-HNNXBMFYSA-N 0 3 231.339 2.605 1 0 BFAFHN O[C@H]1C[C@H](c2ccco2)NC2(CCCCC2)C1 ZINC000000335500 183249259 /nfs/dbraw/zinc/24/92/59/183249259.db2.gz AIQYSLMWCIICFG-NWDGAFQWSA-N 0 3 235.327 2.768 3 0 BFAFHN CCCN1CCC[C@@H]2c3c(O)cccc3OC[C@H]21 ZINC000027847602 169198434 /nfs/dbraw/zinc/19/84/34/169198434.db2.gz UKQPRJSOSVDGII-NWDGAFQWSA-N 0 3 247.338 2.743 1 0 BFAFHN CCCOc1cccc(OCCC)c1CN ZINC000103267463 169325958 /nfs/dbraw/zinc/32/59/58/169325958.db2.gz WBJSFNLJWDAPGF-UHFFFAOYSA-N 0 3 223.316 2.723 1 0 BFAFHN CCc1cc2ccccc2c(N2CCNCC2)c1 ZINC000028335820 132334088 /nfs/dbraw/zinc/33/40/88/132334088.db2.gz MHYMDJBUBBVRCW-UHFFFAOYSA-N 0 3 240.350 2.812 1 0 BFAFHN CN1CCCC[C@H]1[C@H]1CCc2cc(O)ccc2O1 ZINC000013471333 173010728 /nfs/dbraw/zinc/01/07/28/173010728.db2.gz OYMKMVHQLKXIBG-DZGCQCFKSA-N 0 3 247.338 2.570 1 0 BFAFHN CN1[C@@H]2CC[C@H]1[C@H](c1ccc(Cl)nc1)C2 ZINC000013479025 173207386 /nfs/dbraw/zinc/20/73/86/173207386.db2.gz HLNPMOXPJPCMLY-VWYCJHECSA-N 0 3 222.719 2.685 1 0 BFAFHN CCCN1CCN(c2cccc3ccoc32)CC1 ZINC000013738322 534935223 /nfs/dbraw/zinc/93/52/23/534935223.db2.gz JSKHWHIBSRDAQC-UHFFFAOYSA-N 0 3 244.338 2.965 1 0 BFAFHN CCCc1cncc(OC[C@@H]2CCCN2C)c1 ZINC000026571793 187255257 /nfs/dbraw/zinc/25/52/57/187255257.db2.gz SCCWLILDZVYJOK-ZDUSSCGKSA-N 0 3 234.343 2.507 1 0 BFAFHN CCCN1CCO[C@@H]2c3ccccc3CC[C@H]21 ZINC000029392762 169205242 /nfs/dbraw/zinc/20/52/42/169205242.db2.gz AWZLBZREVQLYFE-HUUCEWRRSA-N 0 3 231.339 2.785 1 0 BFAFHN CCCN1CCC2=C(CCc3sc(N)nc32)C1 ZINC000013824120 169191912 /nfs/dbraw/zinc/19/19/12/169191912.db2.gz IGLLADILKYAPBC-UHFFFAOYSA-N 0 3 249.383 2.541 1 0 BFAFHN c1c[nH]c([C@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000029332825 183328619 /nfs/dbraw/zinc/32/86/19/183328619.db2.gz LDAHIJXZDXUBBY-OAHLLOKOSA-N 0 3 237.306 2.731 1 0 BFAFHN c1ccc(CN2CCN=C2c2ccccc2)cc1 ZINC000096915310 183399036 /nfs/dbraw/zinc/39/90/36/183399036.db2.gz XECZPMLUVPEPKQ-UHFFFAOYSA-N 0 3 236.318 2.949 1 0 BFAFHN CCCN[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000045245761 169275089 /nfs/dbraw/zinc/27/50/89/169275089.db2.gz PJSOCXYIJJIWHO-VIFPVBQESA-N 0 3 225.719 2.911 1 0 in-vitro BFAFHN CN1CCc2ccc(Cl)c3c2[C@H](CC3)C1 ZINC000027712447 173171684 /nfs/dbraw/zinc/17/16/84/173171684.db2.gz HDFJHMACFRDUNC-SNVBAGLBSA-N 0 3 221.731 2.858 1 0 BFAFHN COc1ccc2c(c1)[C@@]1(CCN(C)C1)CCC2 ZINC000027733669 175217036 /nfs/dbraw/zinc/21/70/36/175217036.db2.gz WAGQXNPXOFBRMT-OAHLLOKOSA-N 0 3 231.339 2.605 1 0 BFAFHN CN1CCC=C(c2c[nH]c3ccc(O)cc32)C1 ZINC000026750054 188283249 /nfs/dbraw/zinc/28/32/49/188283249.db2.gz DJOAYTZWPNZMQY-UHFFFAOYSA-N 0 3 228.295 2.592 1 0 BFAFHN CCCN1CCC=C2c3cc(O)ccc3OC[C@@H]21 ZINC000027849123 169191738 /nfs/dbraw/zinc/19/17/38/169191738.db2.gz GOAIESIEBXUUKO-AWEZNQCLSA-N 0 3 245.322 2.652 1 0 BFAFHN CCCN1CCC[C@@H]2c3cccc(O)c3OC[C@H]21 ZINC000000010956 169198330 /nfs/dbraw/zinc/19/83/30/169198330.db2.gz BJMSUUATNLDQQZ-DGCLKSJQSA-N 0 3 247.338 2.743 1 0 BFAFHN CN1CCCC[C@H]1[C@@H]1CCc2c(O)cccc2O1 ZINC000013471346 173010453 /nfs/dbraw/zinc/01/04/53/173010453.db2.gz SAFAEJVPQFBPCV-WFASDCNBSA-N 0 3 247.338 2.570 1 0 BFAFHN CN=C1Nc2ccccc2[C@H]2CCC[C@@H]12 ZINC000013817903 173322346 /nfs/dbraw/zinc/32/23/46/173322346.db2.gz PVMORZLJCFBESW-MWLCHTKSSA-N 0 3 200.285 2.833 1 0 BFAFHN CCCN1CCC=C2c3nc(N)sc3CC[C@H]21 ZINC000013824112 169190965 /nfs/dbraw/zinc/19/09/65/169190965.db2.gz VOPHHPYKMCJUCP-SNVBAGLBSA-N 0 3 249.383 2.539 1 0 BFAFHN CCCN1CCC=C2c3cccc(O)c3OC[C@H]21 ZINC000027851586 169191774 /nfs/dbraw/zinc/19/17/74/169191774.db2.gz OFJPBUNBLOUSKK-CYBMUJFWSA-N 0 3 245.322 2.652 1 0 BFAFHN CN1C[C@@]23Cc4ccc(O)cc4[C@@](C)(CC[C@@H]12)C3 ZINC000029571021 173189433 /nfs/dbraw/zinc/18/94/33/173189433.db2.gz HUBOTCKKRXYMHW-PMPSAXMXSA-N 0 3 243.350 2.690 1 0 BFAFHN COc1ccc(/C(C)=C/CN(C)C)cc1 ZINC000073163022 175045823 /nfs/dbraw/zinc/04/58/23/175045823.db2.gz KCGUVCXPYIUSBZ-PKNBQFBNSA-N 0 3 205.301 2.660 1 0 BFAFHN COc1ccc2[nH]cc(C3=CCCN(C)C3)c2c1 ZINC000026745214 175202334 /nfs/dbraw/zinc/20/23/34/175202334.db2.gz ISHNBMGHXDIRTF-UHFFFAOYSA-N 0 3 242.322 2.895 1 0 BFAFHN Cc1cc2c3c(n4c2c(c1)CNCC4)CCCC3 ZINC000026578249 178294409 /nfs/dbraw/zinc/29/44/09/178294409.db2.gz JOOZQMAAEHQNSP-UHFFFAOYSA-N 0 3 240.350 2.932 1 0 BFAFHN N=C1N[C@@H](c2ccccc2)Cc2cccc(F)c21 ZINC000025976323 181338975 /nfs/dbraw/zinc/33/89/75/181338975.db2.gz OTLLMGWJZKFCGF-CYBMUJFWSA-N 0 3 240.281 2.828 1 0 BFAFHN CCC[N@H+](CC)CCc1ccc(F)c([O-])c1 ZINC000026483402 169122276 /nfs/dbraw/zinc/12/22/76/169122276.db2.gz QENBOHPMBXBKIA-UHFFFAOYSA-N 0 3 225.307 2.806 1 0 BFAFHN CCC[N@@H+](CC)CCc1ccc(F)c([O-])c1 ZINC000026483402 169122279 /nfs/dbraw/zinc/12/22/79/169122279.db2.gz QENBOHPMBXBKIA-UHFFFAOYSA-N 0 3 225.307 2.806 1 0 BFAFHN CCCN1CCC=C2c3cccc(O)c3OC[C@@H]21 ZINC000027851579 169191575 /nfs/dbraw/zinc/19/15/75/169191575.db2.gz OFJPBUNBLOUSKK-ZDUSSCGKSA-N 0 3 245.322 2.652 1 0 BFAFHN Cc1cc(N)nc(N2CCc3ccccc3C2)c1 ZINC000013488067 132321678 /nfs/dbraw/zinc/32/16/78/132321678.db2.gz MHQJUEQRWCKJRG-UHFFFAOYSA-N 0 3 239.322 2.535 1 0 BFAFHN CN1CCC[C@@H]1c1cc2ncccc2o1 ZINC000004628562 173036824 /nfs/dbraw/zinc/03/68/24/173036824.db2.gz BJFLPKJLIFUESE-SNVBAGLBSA-N 0 3 202.257 2.595 1 0 BFAFHN CN1CCC[C@H]1COc1ccc2cccnc2c1 ZINC000026382674 173056755 /nfs/dbraw/zinc/05/67/55/173056755.db2.gz WWHJVFVUYJMQHP-ZDUSSCGKSA-N 0 3 242.322 2.708 1 0 BFAFHN CN1C[C@@H]2CCC[C@]2(c2ccc(F)c(F)c2)C1 ZINC000072112634 173188810 /nfs/dbraw/zinc/18/88/10/173188810.db2.gz ITPUGBSWGNTRDI-SMDDNHRTSA-N 0 3 237.293 2.948 1 0 BFAFHN COCCNc1[nH]ccc2nc3ccccc3c1-2 ZINC000040429261 174342895 /nfs/dbraw/zinc/34/28/95/174342895.db2.gz LPEINBBGPPSKIU-UHFFFAOYSA-N 0 3 241.294 2.774 1 0 BFAFHN COc1cc2c(cc1OC)[C@H](N(C)C)C(C)=C2 ZINC000169318020 175025973 /nfs/dbraw/zinc/02/59/73/175025973.db2.gz JHGCVNLHWVXBIZ-CQSZACIVSA-N 0 3 233.311 2.723 1 0 BFAFHN Cc1cc2c3c(n4c2c(c1)CNCC4)CCC3 ZINC000026578408 178294049 /nfs/dbraw/zinc/29/40/49/178294049.db2.gz CEQIGJXBXWLXPJ-UHFFFAOYSA-N 0 3 226.323 2.542 1 0 BFAFHN Cc1ccccc1OC1=CCN(C)CC1 ZINC000013603038 179309764 /nfs/dbraw/zinc/30/97/64/179309764.db2.gz AYLNWCAKXDPUDM-UHFFFAOYSA-N 0 3 203.285 2.593 1 0 BFAFHN Cc1nc2ccccc2c2c1C(=O)C(C)C2=O ZINC000103290739 180100966 /nfs/dbraw/zinc/10/09/66/180100966.db2.gz WLISRRRBDMIEGY-ZETCQYMHSA-N 0 3 225.247 2.558 1 0 BFAFHN OC12C[C@H]3CC(C[C@H](C3)C1)N2Cc1ccccc1 ZINC000072105237 183024167 /nfs/dbraw/zinc/02/41/67/183024167.db2.gz MJNYRQGREJARAA-PJPHBNEVSA-N 0 3 243.350 2.770 1 0 BFAFHN CC1CCN(C[C@H]2Cc3ccccc3C2=O)CC1 ZINC000013449581 168182646 /nfs/dbraw/zinc/18/26/46/168182646.db2.gz FBFCEJZVMXVAGL-CQSZACIVSA-N 0 3 243.350 2.774 1 0 BFAFHN CN1CCCC[C@H]1[C@@H]1CCc2cc(O)ccc2O1 ZINC000013471344 173009023 /nfs/dbraw/zinc/00/90/23/173009023.db2.gz OYMKMVHQLKXIBG-ZFWWWQNUSA-N 0 3 247.338 2.570 1 0 BFAFHN CN1[C@@H]2CC[C@H]1C[C@@H]2c1ccc(Cl)nc1 ZINC000013479024 173207163 /nfs/dbraw/zinc/20/71/63/173207163.db2.gz HLNPMOXPJPCMLY-HBNTYKKESA-N 0 3 222.719 2.685 1 0 BFAFHN CN=C1Nc2ccc(Cl)c(Cl)c2[C@@H](C)N1 ZINC000029131609 173321957 /nfs/dbraw/zinc/32/19/57/173321957.db2.gz QZNXPVYAMUSJAD-RXMQYKEDSA-N 0 3 244.125 2.865 1 0 BFAFHN COc1cccc(C(=O)[C@H](C)NC2CCCC2)c1 ZINC000045339552 175246865 /nfs/dbraw/zinc/24/68/65/175246865.db2.gz ZMRXSORFBXMBCB-NSHDSACASA-N 0 3 247.338 2.799 1 0 in-vivo BFAFHN Cc1nc2ccccc2c2c1C(=O)C(C)C2=O ZINC000103290737 180101611 /nfs/dbraw/zinc/10/16/11/180101611.db2.gz WLISRRRBDMIEGY-SSDOTTSWSA-N 0 3 225.247 2.558 1 0 BFAFHN O[C@H]1C[C@@H](c2ccco2)NC2(CCCCC2)C1 ZINC000000335501 183247664 /nfs/dbraw/zinc/24/76/64/183247664.db2.gz AIQYSLMWCIICFG-RYUDHWBXSA-N 0 3 235.327 2.768 3 0 BFAFHN CCCN1CCC[C@@H]2c3cc(O)ccc3OC[C@@H]21 ZINC000011680762 169199098 /nfs/dbraw/zinc/19/90/98/169199098.db2.gz GSLWRDKYYIQKIM-OCCSQVGLSA-N 0 3 247.338 2.743 1 0 in-man BFAFHN CCCN[C@H](C)C(=O)c1cccc(Cl)c1 ZINC000045245762 169286266 /nfs/dbraw/zinc/28/62/66/169286266.db2.gz PJSOCXYIJJIWHO-SECBINFHSA-N 0 3 225.719 2.911 1 0 in-vitro BFAFHN CCN1CCc2cc3ccccc3n2CC1 ZINC000013535375 170025575 /nfs/dbraw/zinc/02/55/75/170025575.db2.gz IVJKWFBLKKLOKL-UHFFFAOYSA-N 0 3 214.312 2.519 1 0 BFAFHN CC[C@@]12CCN(C)C[C@]1(C)Oc1ccc(O)cc12 ZINC000026293222 171218063 /nfs/dbraw/zinc/21/80/63/171218063.db2.gz JLIYLESQEZRJMX-GJZGRUSLSA-N 0 3 247.338 2.527 1 0 BFAFHN CN1CCC[C@H]1c1cc2ncccc2o1 ZINC000003827980 173060047 /nfs/dbraw/zinc/06/00/47/173060047.db2.gz BJFLPKJLIFUESE-JTQLQIEISA-N 0 3 202.257 2.595 1 0 BFAFHN CN1CCc2c3c(ccc2Cl)CC[C@@H]3C1 ZINC000027713550 173167717 /nfs/dbraw/zinc/16/77/17/173167717.db2.gz HSVQHQJUIUIWCQ-SNVBAGLBSA-N 0 3 221.731 2.858 1 0 BFAFHN COc1cccc2c1CCC[C@@]21CCN(C)C1 ZINC000027744953 175301127 /nfs/dbraw/zinc/30/11/27/175301127.db2.gz ZEUWOUFMHOYFEH-HNNXBMFYSA-N 0 3 231.339 2.605 1 0 BFAFHN O=c1c2ccccc2cc2n1[C@H]1CCCC[C@H]1N2 ZINC000102013592 182989339 /nfs/dbraw/zinc/98/93/39/182989339.db2.gz XXEFUOMEJQJRAP-OLZOCXBDSA-N 0 3 240.306 2.911 1 0 BFAFHN O[C@@H]1C[C@@H](c2ccco2)NC2(CCCCC2)C1 ZINC000000335498 183211671 /nfs/dbraw/zinc/21/16/71/183211671.db2.gz AIQYSLMWCIICFG-NEPJUHHUSA-N 0 3 235.327 2.768 3 0 BFAFHN c1oc(-c2ccccc2)nc1CNCC1CC1 ZINC000072182782 183381936 /nfs/dbraw/zinc/38/19/36/183381936.db2.gz YIMFMMMHYKRCTI-UHFFFAOYSA-N 0 3 228.295 2.841 1 0 BFAFHN CN1CCC2(CCc3ccccc3C2=O)CC1 ZINC000013734368 173002999 /nfs/dbraw/zinc/00/29/99/173002999.db2.gz VZOGQOMJBKUSDY-UHFFFAOYSA-N 0 3 229.323 2.528 1 0 BFAFHN CN1CCCC[C@H]1[C@@H]1CCc2ccc(O)cc2O1 ZINC000013471342 173010082 /nfs/dbraw/zinc/01/00/82/173010082.db2.gz BWEKAFCCTNIBFD-KBPBESRZSA-N 0 3 247.338 2.570 1 0 BFAFHN CN1CCC[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000026834156 173062213 /nfs/dbraw/zinc/06/22/13/173062213.db2.gz NNDATQSUZGLGQT-SMDDNHRTSA-N 0 3 226.323 2.902 1 0 BFAFHN CN1[C@@H]2CC[C@H]1CC=C2c1ccc(Cl)nc1 ZINC000026173582 173205266 /nfs/dbraw/zinc/20/52/66/173205266.db2.gz PWTGETLSBCHUOY-ZYHUDNBSSA-N 0 3 234.730 2.985 1 0 BFAFHN COc1cccc(C(=O)[C@@H](C)NC(C)(C)C)c1 ZINC000045385790 175247673 /nfs/dbraw/zinc/24/76/73/175247673.db2.gz DGQVZUDAKWRJPY-SNVBAGLBSA-N 0 3 235.327 2.655 1 0 BFAFHN COc1cccc2c1CCC[C@]21CCN(C)C1 ZINC000027744961 175301004 /nfs/dbraw/zinc/30/10/04/175301004.db2.gz ZEUWOUFMHOYFEH-OAHLLOKOSA-N 0 3 231.339 2.605 1 0 BFAFHN Cc1cccc(C)c1C(=O)OC1CCN(C)CC1 ZINC000029323763 179033836 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