smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])ccc4O)ccc3o2)c1 ZINC000000711441 219315954 /nfs/dbraw/zinc/31/59/54/219315954.db2.gz BDXSFQJVJHYVJX-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN Cc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])ccc4O)ccc3o2)cc1 ZINC000000711602 210264386 /nfs/dbraw/zinc/26/43/86/210264386.db2.gz YUCSKYWJZDRDIU-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN Cc1cccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4O)ccc3o2)c1 ZINC000000864763 219333547 /nfs/dbraw/zinc/33/35/47/219333547.db2.gz DBZFJTSTJYQYEK-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN CCc1ccc2oc(-c3cc(/N=C/c4cccc(C)c4O)ccc3O)nc2c1 ZINC000000990005 524060847 /nfs/dbraw/zinc/06/08/47/524060847.db2.gz ZWFLDUOEZJJQLJ-ZMOGYAJESA-N 0 2 372.424 5.527 50 30 FKEALN N#Cc1c(/N=C/c2cc(Cl)cc(Cl)c2O)sc2c1CCCC2 ZINC000001023042 210303591 /nfs/dbraw/zinc/30/35/91/210303591.db2.gz KHWNAJMRMRZOLM-DNTJNYDQSA-N 0 2 351.258 5.262 50 30 FKEALN Cc1cc2ccccc2c(/N=C/c2cc(Cl)cc(Cl)c2O)c1C#N ZINC000001045638 210307694 /nfs/dbraw/zinc/30/76/94/210307694.db2.gz KNTDTLNALDKSKJ-AUEPDCJTSA-N 0 2 355.224 5.783 50 30 FKEALN O=C(c1ccccc1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000001097885 219368662 /nfs/dbraw/zinc/36/86/62/219368662.db2.gz WUEKRVVRFKRWAE-FSJBWODESA-N 0 2 370.235 5.681 50 30 FKEALN Cc1ccc2nc(-c3cc(/N=C/c4cc(C)c(C)cc4O)ccc3O)oc2c1 ZINC000001433545 210353323 /nfs/dbraw/zinc/35/33/23/210353323.db2.gz FLDQYNPGFNQANN-WYMPLXKRSA-N 0 2 372.424 5.582 50 30 FKEALN Cc1cccc2oc(-c3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3O)nc21 ZINC000001435246 571090299 /nfs/dbraw/zinc/09/02/99/571090299.db2.gz LISWKLCQPSFZCL-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN Cc1ccc2nc(-c3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3O)oc2c1 ZINC000001444175 570500267 /nfs/dbraw/zinc/50/02/67/570500267.db2.gz FAEAEOLFGZUQER-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN Oc1c(Cl)cc(Cl)cc1/C=N/c1c(-c2ccco2)nc2ccccn21 ZINC000001446252 206883460 /nfs/dbraw/zinc/88/34/60/206883460.db2.gz OXVZEFVCVHTNFK-UFFVCSGVSA-N 0 2 372.211 5.357 50 30 FKEALN CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000001879409 570509422 /nfs/dbraw/zinc/50/94/22/570509422.db2.gz NEYCKZDEDAFMTA-ODCIPOBUSA-N 0 2 372.679 6.106 50 30 FKEALN CCCCCCCCCCn1cc(C(=O)O)c(=O)c2cc(F)c(F)cc21 ZINC000002188321 520027551 /nfs/dbraw/zinc/02/75/51/520027551.db2.gz SOYHSEDTYGHQGB-UHFFFAOYSA-N 0 2 365.420 5.119 50 30 FKEALN CCCCn1c2ccccc2nc1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000002267039 571293963 /nfs/dbraw/zinc/29/39/63/571293963.db2.gz QAILIFPQCMHGLK-SRZZPIQSSA-N 0 2 362.260 5.599 50 30 FKEALN Oc1c(Cl)cc(Cl)cc1/C=N/n1c2ccccc2c2ccccc21 ZINC000002346130 571318366 /nfs/dbraw/zinc/31/83/66/571318366.db2.gz XYLPBRBHJXODKN-SSDVNMTOSA-N 0 2 355.224 5.689 50 30 FKEALN Cc1cccc2oc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4O)cc3)nc21 ZINC000002490124 571337298 /nfs/dbraw/zinc/33/72/98/571337298.db2.gz OGOXCHTUJDDXPA-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN Cc1cccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])ccc4O)c3)nc21 ZINC000002490174 571337308 /nfs/dbraw/zinc/33/73/08/571337308.db2.gz CRRZMHCTKHPEQW-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN Cc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)cc4)ccc3O)nc2c1 ZINC000003099114 570551332 /nfs/dbraw/zinc/55/13/32/570551332.db2.gz JANSEQUHNPXBAQ-FSJBWODESA-N 0 2 362.816 5.913 50 30 FKEALN Cc1cccc2oc(-c3cc(/N=C/c4ccccc4[N+](=O)[O-])ccc3O)nc21 ZINC000003114128 571344862 /nfs/dbraw/zinc/34/48/62/571344862.db2.gz ULCTZOMKGGFMPC-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1cc(Cl)ccc1Cl ZINC000003114249 570612025 /nfs/dbraw/zinc/61/20/25/570612025.db2.gz UJVDKVZSBIGIDZ-KPSZGOFPSA-N 0 2 373.623 5.628 50 30 FKEALN Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc2ccccc2c1 ZINC000003114303 204077723 /nfs/dbraw/zinc/07/77/23/204077723.db2.gz IRPOTSSEEDZUER-UFFVCSGVSA-N 0 2 354.793 5.474 50 30 FKEALN Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(Cl)cc1Cl ZINC000003115381 570626518 /nfs/dbraw/zinc/62/65/18/570626518.db2.gz XNXATZDRWUYLRR-KPSZGOFPSA-N 0 2 373.623 5.628 50 30 FKEALN Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1cccc2ccccc21 ZINC000003115443 204078656 /nfs/dbraw/zinc/07/86/56/204078656.db2.gz MZLLQXKCALLVHO-UFFVCSGVSA-N 0 2 354.793 5.474 50 30 FKEALN Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(Cl)c(Cl)c1 ZINC000003115456 204078264 /nfs/dbraw/zinc/07/82/64/204078264.db2.gz HXHQGCHNNAPSCU-KPSZGOFPSA-N 0 2 373.623 5.628 50 30 FKEALN Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc(F)c(Cl)c1 ZINC000003115491 204077897 /nfs/dbraw/zinc/07/78/97/204077897.db2.gz QBRUARNFWLVDQJ-KPSZGOFPSA-N 0 2 357.168 5.114 50 30 FKEALN Cc1ccc2nc(-c3cccc(/N=C/c4cccc([N+](=O)[O-])c4O)c3)oc2c1 ZINC000003184593 571345336 /nfs/dbraw/zinc/34/53/36/571345336.db2.gz BBTQVNUFZQEUBI-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN CCCCCCCCn1c(=O)c2c3c(sc2[nH]c1=S)CCCC3 ZINC000003228215 204083285 /nfs/dbraw/zinc/08/32/85/204083285.db2.gz RQDTXBSJQXRPFV-UHFFFAOYSA-N 0 2 350.553 5.360 50 30 FKEALN CCCCCCCCn1c(=O)c2c3c(sc2[nH]c1=S)CCCCC3 ZINC000003228257 570555268 /nfs/dbraw/zinc/55/52/68/570555268.db2.gz MRXPFFWTQRIUJH-UHFFFAOYSA-N 0 2 364.580 5.750 50 30 FKEALN CCCCCCCCn1c(=O)c2c3c(sc2[nH]c1=S)C[C@@H](C)CC3 ZINC000003239382 570555580 /nfs/dbraw/zinc/55/55/80/570555580.db2.gz XHRXDIHZEQCYCO-ZDUSSCGKSA-N 0 2 364.580 5.606 50 30 FKEALN CCCCCCCCn1c(=O)c2c3c(sc2[nH]c1=S)C[C@H](C)CC3 ZINC000003239383 570555685 /nfs/dbraw/zinc/55/56/85/570555685.db2.gz XHRXDIHZEQCYCO-CYBMUJFWSA-N 0 2 364.580 5.606 50 30 FKEALN N#C[C@H](C(=O)C1c2ccccc2-c2ccccc21)c1nc2ccccc2s1 ZINC000003307898 571347087 /nfs/dbraw/zinc/34/70/87/571347087.db2.gz LGUVEVSMSHTXPM-GOSISDBHSA-N 0 2 366.445 5.285 50 30 FKEALN N#CC(C(=O)C1c2ccccc2-c2ccccc21)c1nc2ccccc2s1 ZINC000003307898 571347086 /nfs/dbraw/zinc/34/70/86/571347086.db2.gz LGUVEVSMSHTXPM-GOSISDBHSA-N 0 2 366.445 5.285 50 30 FKEALN N#C[C@@H](C(=O)C1c2ccccc2-c2ccccc21)c1nc2ccccc2s1 ZINC000003307900 571347019 /nfs/dbraw/zinc/34/70/19/571347019.db2.gz LGUVEVSMSHTXPM-SFHVURJKSA-N 0 2 366.445 5.285 50 30 FKEALN N#CC(C(=O)C1c2ccccc2-c2ccccc21)c1nc2ccccc2s1 ZINC000003307900 571347018 /nfs/dbraw/zinc/34/70/18/571347018.db2.gz LGUVEVSMSHTXPM-SFHVURJKSA-N 0 2 366.445 5.285 50 30 FKEALN Cc1cccc2oc(-c3cccc(/N=C/c4cccc([N+](=O)[O-])c4O)c3)nc21 ZINC000003661655 204110670 /nfs/dbraw/zinc/11/06/70/204110670.db2.gz BTCVMIPJCFBRLJ-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN Cc1ccsc1CN=Nc1ccc2c(Cl)cc(Cl)c(O)c2n1 ZINC000003909701 571353196 /nfs/dbraw/zinc/35/31/96/571353196.db2.gz ZFPWOEWFDQASRX-CNHKJKLMSA-N 0 2 352.246 5.063 50 30 FKEALN Cc1ccccc1-c1nc2cc(/N=C/c3cc([N+](=O)[O-])ccc3O)ccc2o1 ZINC000004142353 204123838 /nfs/dbraw/zinc/12/38/38/204123838.db2.gz NNRCOTFLNRTPHM-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN Cc1sc(/N=C/c2cc(Br)cc(Cl)c2O)c(C#N)c1C ZINC000004150682 571356158 /nfs/dbraw/zinc/35/61/58/571356158.db2.gz NQGXKROMJBJWRJ-NGYBGAFCSA-N 0 2 369.671 5.109 50 30 FKEALN Cc1cc2nc(-c3cc(/N=C/c4ccccc4O)ccc3O)oc2cc1C ZINC000004592817 207030683 /nfs/dbraw/zinc/03/06/83/207030683.db2.gz IFUXUIMTMOWHBL-FSJBWODESA-N 0 2 358.397 5.273 50 30 FKEALN Oc1ccc2ccccc2c1CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000004738287 207043502 /nfs/dbraw/zinc/04/35/02/207043502.db2.gz LTOMTZUNJDPJOB-ZVBGSRNCSA-N 0 2 365.647 5.952 50 30 FKEALN O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc(Br)ccc1O ZINC000004898806 570556043 /nfs/dbraw/zinc/55/60/43/570556043.db2.gz FQNBRHPMEPCRGJ-GORDUTHDSA-N 0 2 372.045 5.358 50 30 FKEALN O=[N+]([O-])c1ccc(O)c(/C=N/c2cccc3c(-c4ccccc4)ccnc23)c1 ZINC000004982594 571101062 /nfs/dbraw/zinc/10/10/62/571101062.db2.gz CYHWUBIXJYHVOE-ZVHZXABRSA-N 0 2 369.380 5.266 50 30 FKEALN COc1ccc2sc(Nc3nc(-c4ccc(C#N)cc4)cs3)nc2c1 ZINC000005122778 570586891 /nfs/dbraw/zinc/58/68/91/570586891.db2.gz KXKHNYXOLSFWRP-UHFFFAOYSA-N 0 2 364.455 5.044 50 30 FKEALN Cc1c(/C=C/C(=O)c2cc(Br)ccc2O)oc2cc(C)ccc12 ZINC000005342935 570648269 /nfs/dbraw/zinc/64/82/69/570648269.db2.gz JPVPSVCPMHFIAU-BQYQJAHWSA-N 0 2 371.230 5.414 50 30 FKEALN O=C1c2ccccc2SC1C=Nc1cc(C(F)(F)F)ccc1Cl ZINC000005668434 207110706 /nfs/dbraw/zinc/11/07/06/207110706.db2.gz SDJDDIOFLZKWNL-ODCIPOBUSA-N 0 2 355.768 6.030 50 30 FKEALN Oc1c(C=Nc2cc(C(F)(F)F)ccc2Cl)sc2ccccc12 ZINC000005668434 207110701 /nfs/dbraw/zinc/11/07/01/207110701.db2.gz SDJDDIOFLZKWNL-ODCIPOBUSA-N 0 2 355.768 6.030 50 30 FKEALN Oc1c(Cl)cc(Cl)c(C=NN=c2[nH]c3ccccc3s2)c1Cl ZINC000006244198 204242066 /nfs/dbraw/zinc/24/20/66/204242066.db2.gz NAGAOXVNTNCKSH-NGYBGAFCSA-N 0 2 372.664 5.408 50 30 FKEALN N#CC(C(=O)Cc1c(Cl)cccc1Cl)c1nc2ccccc2s1 ZINC000006649931 571238779 /nfs/dbraw/zinc/23/87/79/571238779.db2.gz XZUMYCJVWDRHCR-NSHDSACASA-N 0 2 361.253 5.022 50 30 FKEALN N#C[C@@H](C(=O)Cc1c(Cl)cccc1Cl)c1nc2ccccc2s1 ZINC000006649931 571238777 /nfs/dbraw/zinc/23/87/77/571238777.db2.gz XZUMYCJVWDRHCR-NSHDSACASA-N 0 2 361.253 5.022 50 30 FKEALN N#CC(C(=O)Cc1c(Cl)cccc1Cl)c1nc2ccccc2s1 ZINC000006649934 571238704 /nfs/dbraw/zinc/23/87/04/571238704.db2.gz XZUMYCJVWDRHCR-LLVKDONJSA-N 0 2 361.253 5.022 50 30 FKEALN N#C[C@H](C(=O)Cc1c(Cl)cccc1Cl)c1nc2ccccc2s1 ZINC000006649934 571238703 /nfs/dbraw/zinc/23/87/03/571238703.db2.gz XZUMYCJVWDRHCR-LLVKDONJSA-N 0 2 361.253 5.022 50 30 FKEALN CCCCCCCCCCCCNC(=O)c1ccc(C)c(O)c1[N+](=O)[O-] ZINC000008397517 520010499 /nfs/dbraw/zinc/01/04/99/520010499.db2.gz IZAITOYWKQRABU-UHFFFAOYSA-N 0 2 364.486 5.260 50 30 FKEALN Cc1ccc2nc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3)oc2c1 ZINC000014920693 570969303 /nfs/dbraw/zinc/96/93/03/570969303.db2.gz NWRLFMSROHBVPA-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN N#CCOc1ccccc1/C=C/c1ccc2c(Cl)cc(Cl)c(O)c2n1 ZINC000016406496 220184512 /nfs/dbraw/zinc/18/45/12/220184512.db2.gz IULAVWKJVSUYSE-AATRIKPKSA-N 0 2 371.223 5.320 50 30 FKEALN N#CC(C(=O)c1cc2c(cccc2F)s1)c1nc2ccccc2s1 ZINC000041504190 571111644 /nfs/dbraw/zinc/11/16/44/571111644.db2.gz RGCOJSRTWACETJ-NSHDSACASA-N 0 2 352.415 5.140 50 30 FKEALN N#C[C@@H](C(=O)c1cc2c(cccc2F)s1)c1nc2ccccc2s1 ZINC000041504190 571111643 /nfs/dbraw/zinc/11/16/43/571111643.db2.gz RGCOJSRTWACETJ-NSHDSACASA-N 0 2 352.415 5.140 50 30 FKEALN N#CC(C(=O)c1cc2c(cccc2F)s1)c1nc2ccccc2s1 ZINC000041504194 571111953 /nfs/dbraw/zinc/11/19/53/571111953.db2.gz RGCOJSRTWACETJ-LLVKDONJSA-N 0 2 352.415 5.140 50 30 FKEALN N#C[C@H](C(=O)c1cc2c(cccc2F)s1)c1nc2ccccc2s1 ZINC000041504194 571111952 /nfs/dbraw/zinc/11/19/52/571111952.db2.gz RGCOJSRTWACETJ-LLVKDONJSA-N 0 2 352.415 5.140 50 30 FKEALN COc1cccc2sc(/N=C/c3cc(Cl)cc(Cl)c3O)nc21 ZINC000048524515 570954950 /nfs/dbraw/zinc/95/49/50/570954950.db2.gz LXHNKFVKBPZISA-CNHKJKLMSA-N 0 2 353.230 5.068 50 30 FKEALN O=C1/C(=C/c2ccc(O)c(Cl)c2)CC/C1=C/c1ccc(O)c(Cl)c1 ZINC000060132421 205284355 /nfs/dbraw/zinc/28/43/55/205284355.db2.gz GHXHTBMFAPVGLX-MFUUIURDSA-N 0 2 361.224 5.235 50 30 FKEALN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000084027028 571066693 /nfs/dbraw/zinc/06/66/93/571066693.db2.gz IQJOASWDZWYCPO-CYBMUJFWSA-N 0 2 365.845 5.230 50 30 FKEALN Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1 ZINC000084027031 571066735 /nfs/dbraw/zinc/06/67/35/571066735.db2.gz IQJOASWDZWYCPO-ZDUSSCGKSA-N 0 2 365.845 5.230 50 30 FKEALN CC(C)Cn1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c2ccccc21 ZINC000084575353 519502020 /nfs/dbraw/zinc/50/20/20/519502020.db2.gz OPCAIYWRLFVILM-MRXNPFEDSA-N 0 2 373.481 5.397 50 30 FKEALN CC(C)Cn1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c2ccccc21 ZINC000084575355 519502186 /nfs/dbraw/zinc/50/21/86/519502186.db2.gz OPCAIYWRLFVILM-INIZCTEOSA-N 0 2 373.481 5.397 50 30 FKEALN Cc1ccc(-c2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3o2)cc1 ZINC000095482068 570461780 /nfs/dbraw/zinc/46/17/80/570461780.db2.gz MNYNHHGEPWMQFV-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN Cc1ccccc1-c1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2o1 ZINC000095482069 571331040 /nfs/dbraw/zinc/33/10/40/571331040.db2.gz ICJVXJQCQDPRAJ-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN CCCCCCCCCCCCSC(=S)Nc1ccc(F)cc1 ZINC000095723014 263429089 /nfs/dbraw/zinc/42/90/89/263429089.db2.gz KBESYQUOUCIXQW-UHFFFAOYSA-N 0 2 355.588 7.177 50 30 FKEALN CCCCCCCCCCCCSC(=S)Nc1ccc(OC)cc1 ZINC000095723018 570471030 /nfs/dbraw/zinc/47/10/30/570471030.db2.gz ONNYMZNAMNKGOH-UHFFFAOYSA-N 0 2 367.624 7.046 50 30 FKEALN O/N=C(\Sc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000100324272 222242027 /nfs/dbraw/zinc/24/20/27/222242027.db2.gz PKVKEZUKWLGLCH-NDENLUEZSA-N 0 2 367.179 5.335 50 30 FKEALN C/C(=N\c1ccccc1C)c1c(O)c2ccccc2n(-c2ccccc2)c1=O ZINC000100370408 209213533 /nfs/dbraw/zinc/21/35/33/209213533.db2.gz UQFWDBTZQWAJLJ-KOEQRZSOSA-N 0 2 368.436 5.145 50 30 FKEALN CCCCCCCCCCSc1nc(O)cc(=O)n1-c1ccccc1 ZINC000100395802 222242766 /nfs/dbraw/zinc/24/27/66/222242766.db2.gz CQCZGDLSXCVSOV-UHFFFAOYSA-N 0 2 360.523 5.171 50 30 FKEALN CCCCCCCCCCCCOc1ccc(C(O)=CC(=O)OC)cc1 ZINC000100815740 520011371 /nfs/dbraw/zinc/01/13/71/520011371.db2.gz OPGXDWXSOXBTNY-UHFFFAOYSA-N 0 2 362.510 5.732 50 30 FKEALN CCOc1ccc2nc(/N=C/c3cc(Cl)cc(Cl)c3O)sc2c1 ZINC000101667560 222281137 /nfs/dbraw/zinc/28/11/37/222281137.db2.gz TYNNEMQEUZLCGE-UFWORHAWSA-N 0 2 367.257 5.458 50 30 FKEALN Cc1cccc(-c2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4O)cc3o2)c1 ZINC000102417516 222296350 /nfs/dbraw/zinc/29/63/50/222296350.db2.gz ORLQEFLTAFFZHE-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN COc1ccc(C(=O)C=C(O)c2ccccc2OCc2ccccc2)cc1 ZINC000103377618 570847817 /nfs/dbraw/zinc/84/78/17/570847817.db2.gz JSRNLSTUUASYGC-QNGOZBTKSA-N 0 2 360.409 5.056 50 30 FKEALN Cc1ccc2nc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3O)oc2c1 ZINC000103753116 209254884 /nfs/dbraw/zinc/25/48/84/209254884.db2.gz WWBPCLHEYGDACN-WSDLNYQXSA-N 0 2 373.368 5.168 50 30 FKEALN COc1ccc(C(=O)C=C(O)c2ccccc2OCc2ccccc2)cc1 ZINC000109978233 571178478 /nfs/dbraw/zinc/17/84/78/571178478.db2.gz JSRNLSTUUASYGC-RCCKNPSSSA-N 0 2 360.409 5.056 50 30 FKEALN Cc1cccc(-c2nc3cc(N=Cc4cc([N+](=O)[O-])ccc4O)ccc3o2)c1 ZINC000252592242 571284161 /nfs/dbraw/zinc/28/41/61/571284161.db2.gz BDXSFQJVJHYVJX-UHFFFAOYSA-N 0 2 373.368 5.168 50 30 FKEALN 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