smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 ZINC000022937769 202095144 /nfs/dbraw/zinc/09/51/44/202095144.db2.gz JBFVCXODUHNOEN-AZUAARDMSA-N 0 1 344.861 4.303 1 0 EIAFMN CCCOC(=O)c1[nH]c(Cl)c(C(=O)O[C@@H](C)C(C)(C)C)c1C ZINC000026254097 202139785 /nfs/dbraw/zinc/13/97/85/202139785.db2.gz FSVMPHLKSONXJU-JTQLQIEISA-N 0 1 329.824 4.135 1 0 EIAFMN COc1cc(C=Cc2cc(C=Cc3ccc(O)cc3)n[nH]2)ccc1O ZINC000028128033 202166078 /nfs/dbraw/zinc/16/60/78/202166078.db2.gz BSYXTLLMKFYJQV-ZESFLVPWSA-N 0 1 334.375 4.170 1 0 EIAFMN OCc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)cc1O ZINC000028564067 202173243 /nfs/dbraw/zinc/17/32/43/202173243.db2.gz XSPXTJQCESOGST-UHFFFAOYSA-N 0 1 343.386 4.004 1 0 EIAFMN Clc1ccc(CN2CCC(Nc3ccc4n[nH]cc4c3)CC2)cc1 ZINC000028642013 202174082 /nfs/dbraw/zinc/17/40/82/202174082.db2.gz BRYHDLMQBIINCD-UHFFFAOYSA-N 0 1 340.858 4.293 1 0 EIAFMN O[C@@H]1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2 ZINC000028826479 202178034 /nfs/dbraw/zinc/17/80/34/202178034.db2.gz QSSJQRUIQVSAQK-SINAZASISA-N 0 1 344.458 4.117 1 0 EIAFMN c1ccc(C(NC[C@@H]2CCO2)(c2ccccc2)c2ccccc2)cc1 ZINC000073351325 203264054 /nfs/dbraw/zinc/26/40/54/203264054.db2.gz BUTSHKRIRGZUNO-QFIPXVFZSA-N 0 1 329.443 4.357 1 0 EIAFMN COc1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)c(Cl)c1 ZINC000103250541 204068762 /nfs/dbraw/zinc/06/87/62/204068762.db2.gz YJIODQXQURPDDG-UHFFFAOYSA-N 0 1 339.786 4.359 1 0 EIAFMN COc1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)cc1 ZINC000027303675 202154328 /nfs/dbraw/zinc/15/43/28/202154328.db2.gz YQNJFQHTYQEYKH-CAPFRKAQSA-N 0 1 347.458 4.355 1 0 EIAFMN C=C1c2ccc(Cl)cc2C=C(N2CCN(C)CC2)c2ccccc21 ZINC000027892892 202161791 /nfs/dbraw/zinc/16/17/91/202161791.db2.gz PRRVUGWDILXJOU-UHFFFAOYSA-N 0 1 336.866 4.460 1 0 EIAFMN CC(C)CC[NH2+]c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc12 ZINC000027978410 202162678 /nfs/dbraw/zinc/16/26/78/202162678.db2.gz QLHUWGJZHKNWKG-UHFFFAOYSA-N 0 1 339.391 4.329 1 0 EIAFMN CCCCc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)C4(C)C)nc1 ZINC000028755509 202177062 /nfs/dbraw/zinc/17/70/62/202177062.db2.gz CMFKHTMJABDHJT-UHFFFAOYSA-N 0 1 334.423 4.197 1 0 EIAFMN C=C1N=C(C)C(C(=O)OCC)[C@@H](c2cccc(C)c2)C1C(=O)OCC ZINC000029335013 202185769 /nfs/dbraw/zinc/18/57/69/202185769.db2.gz GDGRKKVXLYXCIV-BDBAMQCISA-N 0 1 343.423 4.196 1 0 EIAFMN Cc1cccc2sc(N3N=C4CCc5ccccc5C4C3=O)nc21 ZINC000101463421 204008089 /nfs/dbraw/zinc/00/80/89/204008089.db2.gz ISWQZYKWVKRUPV-UHFFFAOYSA-N 0 1 333.416 4.262 1 0 EIAFMN CCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(C)CC1)=N2 ZINC000101771718 204022332 /nfs/dbraw/zinc/02/23/32/204022332.db2.gz YWGJDMHPINTLKT-UHFFFAOYSA-N 0 1 345.490 4.166 1 0 EIAFMN Fc1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccc3Cl)CC2)cc1 ZINC000013814487 135703744 /nfs/dbraw/zinc/70/37/44/135703744.db2.gz QMFFGHVNSGLLRV-SJLPKXTDSA-N 0 1 344.861 4.405 1 0 EIAFMN CCn1c2ccc(-c3[nH]cnc3-c3cccc(C)c3)cc2n(CC)c1=O ZINC000014958446 581095787 /nfs/dbraw/zinc/09/57/87/581095787.db2.gz CLUFFZOVORVVIN-UHFFFAOYSA-N 0 1 346.434 4.208 1 0 EIAFMN Oc1cccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c32)c1 ZINC000003815213 210076934 /nfs/dbraw/zinc/07/69/34/210076934.db2.gz DVMBLTDKHALLLH-UHFFFAOYSA-N 0 1 337.770 4.123 1 0 EIAFMN CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 ZINC000022937776 202095227 /nfs/dbraw/zinc/09/52/27/202095227.db2.gz JBFVCXODUHNOEN-UYAOXDASSA-N 0 1 344.861 4.303 1 0 EIAFMN CN1Cc2ccccc2[C@@H]2c3cc(O)c(Br)cc3CC[C@H]21 ZINC000026274927 202141006 /nfs/dbraw/zinc/14/10/06/202141006.db2.gz LGYJRJSIABNMNK-SJLPKXTDSA-N 0 1 344.252 4.047 1 0 EIAFMN CCCN1CCN(CCC)[C@H]2CCn3c4ccccc4c(C)c3[C@@H]21 ZINC000027307370 202154285 /nfs/dbraw/zinc/15/42/85/202154285.db2.gz RFFFXCJAXQLALO-PZJWPPBQSA-N 0 1 325.500 4.201 1 0 EIAFMN COc1ccc(C[C@@H]2c3cccc(Cl)c3CCN2C)cc1OC ZINC000028461972 202171872 /nfs/dbraw/zinc/17/18/72/202171872.db2.gz QVFKFMGADFIGEA-QGZVFWFLSA-N 0 1 331.843 4.129 1 0 EIAFMN O=C(Nc1ccccc1)c1ccc(O)c2nc(-c3ccccc3)[nH]c21 ZINC000028950401 202179464 /nfs/dbraw/zinc/17/94/64/202179464.db2.gz ZWSLNVNNPVKSIC-UHFFFAOYSA-N 0 1 329.359 4.188 1 0 EIAFMN O=C([O-])[C@H]1CC[C@@H]2CC(=C(c3ccccc3)c3ccccc3)CC[N@H+]2C1 ZINC000029328946 202185532 /nfs/dbraw/zinc/18/55/32/202185532.db2.gz VAKLFDOSONDEFA-LEWJYISDSA-N 0 1 347.458 4.448 1 0 EIAFMN CN(Cc1nc2ccc(Cl)cc2[nH]1)Cc1cccc2cccnc21 ZINC000103275923 204071349 /nfs/dbraw/zinc/07/13/49/204071349.db2.gz MLWYWTOZLOQOFG-UHFFFAOYSA-N 0 1 336.826 4.397 1 0 EIAFMN C=C1c2ccccc2C=C(N2CCN(C)CC2)c2cc(Cl)ccc21 ZINC000026379106 202142345 /nfs/dbraw/zinc/14/23/45/202142345.db2.gz YVKWMORDCBVMMB-UHFFFAOYSA-N 0 1 336.866 4.460 1 0 EIAFMN Cc1cc(O)cc2c1N=C(c1ccc(O)c(Br)c1)[C@H](C)O2 ZINC000026392041 202142803 /nfs/dbraw/zinc/14/28/03/202142803.db2.gz WWJZJWIIIZNMSR-VIFPVBQESA-N 0 1 348.196 4.070 1 0 EIAFMN Clc1cccc(CN2CCC(Nc3ccc4n[nH]cc4c3)CC2)c1 ZINC000028641817 202174129 /nfs/dbraw/zinc/17/41/29/202174129.db2.gz ZIPOUVFKEPVZER-UHFFFAOYSA-N 0 1 340.858 4.293 1 0 EIAFMN c1ccc2c(c1)cccc2CCO[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000028653618 202174184 /nfs/dbraw/zinc/17/41/84/202174184.db2.gz JQQLXARPNNPHPC-FGZHOGPDSA-N 0 1 339.479 4.042 1 0 EIAFMN Cc1nc2ccc(N3C(=O)CS[C@@H]3c3c[nH]c4ccccc43)cc2[nH]1 ZINC000028652022 202174256 /nfs/dbraw/zinc/17/42/56/202174256.db2.gz LPWPNHIFDAWDEW-LJQANCHMSA-N 0 1 348.431 4.131 1 0 EIAFMN CC(C)Oc1ccc(CC[C@@]2(C3CCCC3)CC(=O)CC(=O)O2)cc1 ZINC000035013123 202284045 /nfs/dbraw/zinc/28/40/45/202284045.db2.gz AOHJXXIVPFBPJN-NRFANRHFSA-N 0 1 344.451 4.242 1 0 EIAFMN C=C1N=C(C)C(C(=O)OCC(C)C)[C@@H](c2ccccc2)C1C(=O)OC ZINC000021981279 202075998 /nfs/dbraw/zinc/07/59/98/202075998.db2.gz YGODTRTXGSNAQE-BDBAMQCISA-N 0 1 343.423 4.134 1 0 EIAFMN Cc1cc(O)cc2c1N=C(c1ccc(O)c(Br)c1)[C@@H](C)O2 ZINC000026392045 202143044 /nfs/dbraw/zinc/14/30/44/202143044.db2.gz WWJZJWIIIZNMSR-SECBINFHSA-N 0 1 348.196 4.070 1 0 EIAFMN CCCCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000029464421 202186766 /nfs/dbraw/zinc/18/67/66/202186766.db2.gz FQBYYGDIAZGNSO-UHFFFAOYSA-N 0 1 339.844 4.189 1 0 EIAFMN O=C1OCC2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C12 ZINC000101468261 204007615 /nfs/dbraw/zinc/00/76/15/204007615.db2.gz UVBVZIZPWRFCLJ-KRWDZBQOSA-N 0 1 339.372 4.135 1 0 EIAFMN CCCCc1[nH+]cc(/C=C(\C)C(=O)[O-])n1Cc1ccccc1Cl ZINC000013728083 201912280 /nfs/dbraw/zinc/91/22/80/201912280.db2.gz AMJFHPJFNAOTEM-JLHYYAGUSA-N 0 1 332.831 4.415 1 0 EIAFMN CCCCS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000028218717 202166958 /nfs/dbraw/zinc/16/69/58/202166958.db2.gz TWFAAJVSGLATQX-UHFFFAOYSA-N 0 1 340.448 4.318 1 0 EIAFMN O=S(=O)(Nc1cccc2cc(Cl)[nH]c21)c1ccc(Cl)cc1 ZINC000028233847 202167989 /nfs/dbraw/zinc/16/79/89/202167989.db2.gz BZEQMUFZZLPAIO-UHFFFAOYSA-N 0 1 341.219 4.276 1 0 EIAFMN OCc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000028563954 202172525 /nfs/dbraw/zinc/17/25/25/202172525.db2.gz XZNBYPWHHNKCLM-UHFFFAOYSA-N 0 1 327.387 4.298 1 0 EIAFMN Cc1c2ccccc2n2c1[C@@H](c1ccc(Br)cc1)NCC2 ZINC000028566706 202172752 /nfs/dbraw/zinc/17/27/52/202172752.db2.gz CKABFUPLAGCURL-QGZVFWFLSA-N 0 1 341.252 4.405 1 0 EIAFMN CCCN1CCc2cc(OC)c(OC)c3c2[C@H]1Cc1ccccc1C3 ZINC000029041762 202180917 /nfs/dbraw/zinc/18/09/17/202180917.db2.gz NKKUZNDFNOKSJF-LJQANCHMSA-N 0 1 337.463 4.160 1 0 EIAFMN Clc1cccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1Cl ZINC000029050287 202181014 /nfs/dbraw/zinc/18/10/14/202181014.db2.gz PPEMPAPSRLGSIO-RDJZCZTQSA-N 0 1 338.234 4.102 1 0 EIAFMN c1ccc([C@@H]2N3CCCC[C@@H]3[C@@H]3c4[nH]c5ccccc5c4CCN32)nc1 ZINC000019328152 202003675 /nfs/dbraw/zinc/00/36/75/202003675.db2.gz VZXICYSIGYOTKX-CEMLEFRQSA-N 0 1 344.462 4.029 1 0 EIAFMN O=C([O-])[C@@H]1CC[C@H]2CC(=C(c3ccccc3)c3ccccc3)CC[N@H+]2C1 ZINC000029328951 202185058 /nfs/dbraw/zinc/18/50/58/202185058.db2.gz VAKLFDOSONDEFA-RTWAWAEBSA-N 0 1 347.458 4.448 1 0 EIAFMN c1ccc2c(c1)[nH]c1c2CN(CCc2ccc3ccccc3n2)CC1 ZINC000029486936 202188068 /nfs/dbraw/zinc/18/80/68/202188068.db2.gz AIQHLPHYTDDMQV-UHFFFAOYSA-N 0 1 327.431 4.317 1 0 EIAFMN CN1CC[C@@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3[C@@H]1C2 ZINC000036215686 202318693 /nfs/dbraw/zinc/31/86/93/202318693.db2.gz JNYHIUUHNNPPEZ-FCHUYYIVSA-N 0 1 330.431 4.201 1 0 EIAFMN O=C([O-])[C@@H]1CCC[N@@H+](CCCC(c2ccccc2)c2ccccc2)C1 ZINC000027733499 212575054 /nfs/dbraw/zinc/57/50/54/212575054.db2.gz PWMJNBMJVCFOLC-HXUWFJFHSA-N 0 1 337.463 4.395 1 0 EIAFMN O=C1C2C(=NN1c1nc3ccc(F)cc3s1)CCc1ccccc12 ZINC000101463410 219128233 /nfs/dbraw/zinc/12/82/33/219128233.db2.gz ZQJUJMXDLRLPPN-UHFFFAOYSA-N 0 1 337.379 4.092 1 0 EIAFMN COc1ccc(C=Cc2nc3ccc(Cl)cc3[nH]2)c(OC)c1OC ZINC000103209862 219270818 /nfs/dbraw/zinc/27/08/18/219270818.db2.gz HRUZOVTWMYHUPH-WEVVVXLNSA-N 0 1 344.798 4.413 1 0 EIAFMN Nc1ccc(-c2cc(=O)c3cc(CN4CCCCC4)ccc3o2)cc1 ZINC000103217846 219271447 /nfs/dbraw/zinc/27/14/47/219271447.db2.gz WXXIQUCIQOPODU-UHFFFAOYSA-N 0 1 334.419 4.028 1 0 EIAFMN Fc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000073239729 216368434 /nfs/dbraw/zinc/36/84/34/216368434.db2.gz TYJIKVPYZAVEMZ-UHFFFAOYSA-N 0 1 348.849 4.070 1 0 EIAFMN Cc1ccc(Nc2c3ccncc3oc2-c2ncccn2)c2cn[nH]c21 ZINC000066074451 215007105 /nfs/dbraw/zinc/00/71/05/215007105.db2.gz RNSNOEBDSVXMIU-UHFFFAOYSA-N 0 1 342.362 4.213 1 0 EIAFMN O=C(c1cc(-c2ccc(Cl)cc2Cl)[nH]n1)N1CCCCCC1 ZINC000040896910 213398331 /nfs/dbraw/zinc/39/83/31/213398331.db2.gz CFIVKPWBLSPJTC-UHFFFAOYSA-N 0 1 338.238 4.400 1 0 EIAFMN CCOc1ccccc1-c1nc2c(C3CCCC3)noc2c(=O)[nH]1 ZINC000028357750 581098249 /nfs/dbraw/zinc/09/82/49/581098249.db2.gz GOESVWYTXYEMCF-UHFFFAOYSA-N 0 1 325.368 4.047 1 0 EIAFMN C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(-c2cccc3ccccc32)c1 ZINC000053243061 214173184 /nfs/dbraw/zinc/17/31/84/214173184.db2.gz FZKVHQCDVIXSMY-QMHKHESXSA-N 0 1 347.458 4.439 1 0 EIAFMN O=C1OCC2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C12 ZINC000101468265 219128278 /nfs/dbraw/zinc/12/82/78/219128278.db2.gz UVBVZIZPWRFCLJ-QGZVFWFLSA-N 0 1 339.372 4.135 1 0 EIAFMN Clc1ccc2nc(COc3cc4c(cc3Cl)OCO4)[nH]c2c1 ZINC000040893389 213397683 /nfs/dbraw/zinc/39/76/83/213397683.db2.gz LHCULFZWMDQBLT-UHFFFAOYSA-N 0 1 337.162 4.177 1 0 EIAFMN CN1CCN([C@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1 ZINC000022937759 212338515 /nfs/dbraw/zinc/33/85/15/212338515.db2.gz OUTQVQKOJHLKNN-ICSRJNTNSA-N 0 1 326.871 4.164 1 0 EIAFMN CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1 ZINC000022937773 212337326 /nfs/dbraw/zinc/33/73/26/212337326.db2.gz JBFVCXODUHNOEN-ICSRJNTNSA-N 0 1 344.861 4.303 1 0 EIAFMN COc1cc2nc(-c3ccccc3)cc(-n3ccnc3)c2c(OC)c1 ZINC000098085123 219081127 /nfs/dbraw/zinc/08/11/27/219081127.db2.gz TZSRESUMYOIXEO-UHFFFAOYSA-N 0 1 331.375 4.105 1 0 EIAFMN CC[N@H+]1CC[C@H]2[C@H](c3ccc(C(=O)[O-])cc3)c3cc(C)ccc3[C@H]2C1 ZINC000003810799 210077085 /nfs/dbraw/zinc/07/70/85/210077085.db2.gz GYCXUDLLLXQSNR-NRSPTQNISA-N 0 1 335.447 4.264 1 0 EIAFMN CCCc1ccc(S(=O)(=O)c2cc(O)c3ccccc3c2O)cc1 ZINC000040834086 213391572 /nfs/dbraw/zinc/39/15/72/213391572.db2.gz BCECDLBGKYFWCS-UHFFFAOYSA-N 0 1 342.416 4.036 1 0 in-vivo EIAFMN Cc1cc(-c2ccncc2)cc2nc([C@@H]3COc4ccccc4O3)[nH]c21 ZINC000049070365 213984507 /nfs/dbraw/zinc/98/45/07/213984507.db2.gz KFPKDUCXKUGLED-IBGZPJMESA-N 0 1 343.386 4.446 1 0 EIAFMN CN1C[C@H](CSc2ccccn2)C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000004217573 210144753 /nfs/dbraw/zinc/14/47/53/210144753.db2.gz VCRAKEDGLIINLR-AUUYWEPGSA-N 0 1 347.487 4.225 1 0 in-man EIAFMN O=C(NCc1ccccc1F)c1nc2cccc(-c3ccccc3)c2[nH]1 ZINC000103268341 219278549 /nfs/dbraw/zinc/27/85/49/219278549.db2.gz ADRLYNCWOAOXPX-UHFFFAOYSA-N 0 1 345.377 4.299 1 0 EIAFMN COc1ccc2nc([C@@H](C)Cc3cc4c(cc3Cl)OCO4)[nH]c2c1 ZINC000040829396 213392191 /nfs/dbraw/zinc/39/21/91/213392191.db2.gz VACYETCMLUVLRU-JTQLQIEISA-N 0 1 344.798 4.300 1 0 EIAFMN O=S(=O)(Nc1cccc2c(-c3ccncc3)c[nH]c21)c1ccccc1 ZINC000036338563 213085323 /nfs/dbraw/zinc/08/53/23/213085323.db2.gz CUXHGUUKNRNHJA-UHFFFAOYSA-N 0 1 349.415 4.031 1 0 EIAFMN O=C(NCc1ccccc1)c1nc2cccc(-c3ccccc3)c2[nH]1 ZINC000103268349 219278838 /nfs/dbraw/zinc/27/88/38/219278838.db2.gz AIFHFYUGIKYJLC-UHFFFAOYSA-N 0 1 327.387 4.160 1 0 EIAFMN Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000040917767 213399272 /nfs/dbraw/zinc/39/92/72/213399272.db2.gz JEDPEVNXTDJRFP-UHFFFAOYSA-N 0 1 346.365 4.325 1 0 EIAFMN COc1cc2c(ccn2-c2ccnc3ccccc32)c(OC)c1OC ZINC000072114163 216011103 /nfs/dbraw/zinc/01/11/03/216011103.db2.gz CRFKOOYXHBOTKE-UHFFFAOYSA-N 0 1 334.375 4.205 1 0 EIAFMN c1ccc2c(c1)[nH]c1c2CCN2[C@@H]1[C@H]1CCCCN1[C@H]2c1cccnc1 ZINC000019328155 212016890 /nfs/dbraw/zinc/01/68/90/212016890.db2.gz UNYHVNRWJOVJSI-CEMLEFRQSA-N 0 1 344.462 4.029 1 0 EIAFMN CC(C)CN1C(=O)C(c2ccc(F)c(F)c2)C(=O)[C@@H]1c1ccccc1 ZINC000101778612 219163819 /nfs/dbraw/zinc/16/38/19/219163819.db2.gz VPYHAOJKKWYIJU-SFHVURJKSA-N 0 1 343.373 4.473 1 0 EIAFMN CCc1cccc(C)c1NC(=O)C(O)=CC(=O)c1ccc(Cl)s1 ZINC000102980995 219245994 /nfs/dbraw/zinc/24/59/94/219245994.db2.gz IREFLQCAAHMAHE-UHFFFAOYSA-N 0 1 349.839 4.053 1 0 EIAFMN O=C([O-])C[C@@H]1CC[N@@H+](CCC=C(c2ccccc2)c2ccccc2)C1 ZINC000027721205 212573924 /nfs/dbraw/zinc/57/39/24/212573924.db2.gz HRUMHKUKZIRPBA-SFHVURJKSA-N 0 1 335.447 4.305 1 0 EIAFMN c1ccc(C(NC[C@H]2CCO2)(c2ccccc2)c2ccccc2)cc1 ZINC000073351326 216379929 /nfs/dbraw/zinc/37/99/29/216379929.db2.gz BUTSHKRIRGZUNO-JOCHJYFZSA-N 0 1 329.443 4.357 1 0 EIAFMN CN1C[C@@H](CSc2ccccn2)C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000004632459 210235278 /nfs/dbraw/zinc/23/52/78/210235278.db2.gz VCRAKEDGLIINLR-IFXJQAMLSA-N 0 1 347.487 4.225 1 0 EIAFMN Oc1c2nc(-c3ccccc3)nc-2c2cccnc2n1-c1ccccc1 ZINC000100929903 219111922 /nfs/dbraw/zinc/11/19/22/219111922.db2.gz ABOJRGJJOPCBMM-UHFFFAOYSA-N 0 1 338.370 4.293 1 0 EIAFMN Cc1ccc2nc(N3N=C4CCc5ccccc5C4C3=O)sc2c1 ZINC000101463405 219128484 /nfs/dbraw/zinc/12/84/84/219128484.db2.gz JKBISHTZYGQVHN-UHFFFAOYSA-N 0 1 333.416 4.262 1 0 EIAFMN c1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)nc2Nc1ccncc1 ZINC000004258512 210153861 /nfs/dbraw/zinc/15/38/61/210153861.db2.gz IGCGUEWRPBJQQD-UHFFFAOYSA-N 0 1 342.358 4.164 1 0 EIAFMN COc1ccc2nc([C@H](C)Cc3cc4c(cc3Cl)OCO4)[nH]c2c1 ZINC000040829398 213392053 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