smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc([O-])c2c(O)c3cccc(Cl)c3[nH]c-2c1 ZINC000027553927 372343947 /nfs/dbraw/zinc/34/39/47/372343947.db2.gz FNIGHIXUKIHUMN-UHFFFAOYSA-N -1 1 261.664 2.746 10 5 CFBEMM O=C(c1nc2cccc([N+](=O)[O-])c2[n-]1)c1ccccc1 ZINC000089195128 275016193 /nfs/dbraw/zinc/01/61/93/275016193.db2.gz DZYSAELADMINGG-UHFFFAOYSA-N -1 1 267.244 2.702 10 5 CFBEMM COc1cc2c(=O)c3ccccc3oc2c(OC)c1[O-] ZINC000014822043 372073593 /nfs/dbraw/zinc/07/35/93/372073593.db2.gz DQAQTPIWHUEPAU-UHFFFAOYSA-N -1 1 272.256 2.669 10 5 biogenic,in-vitro CFBEMM COc1cc2cc3oc(C)cc(=O)c3c([O-])c2c(OC)c1 ZINC000006069585 170173690 /nfs/dbraw/zinc/17/36/90/170173690.db2.gz HFPQKJMLIONCGP-UHFFFAOYSA-N -1 1 286.283 2.977 10 5 in-vitro CFBEMM COc1cc2cc3oc(C)cc([O-])c-3c(=O)c2c(OC)c1 ZINC000006069585 170173692 /nfs/dbraw/zinc/17/36/92/170173692.db2.gz HFPQKJMLIONCGP-UHFFFAOYSA-N -1 1 286.283 2.977 10 5 in-vitro CFBEMM O=c1[n-]cnc(Oc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040583545 174345793 /nfs/dbraw/zinc/34/57/93/174345793.db2.gz JNSZTRUWSKXAEF-UHFFFAOYSA-N -1 1 283.243 2.624 10 5 CFBEMM Cc1cc(Oc2nc[n-]c(=O)c2[N+](=O)[O-])cc(C)c1Cl ZINC000040659842 174365739 /nfs/dbraw/zinc/36/57/39/174365739.db2.gz WHVPUBSLBLIINZ-UHFFFAOYSA-N -1 1 295.682 2.741 10 5 CFBEMM O=c1[n-]cnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040607768 174353055 /nfs/dbraw/zinc/35/30/55/174353055.db2.gz YLVZGUFBZQXFHH-UHFFFAOYSA-N -1 1 283.696 2.895 10 5 CFBEMM O=[N+]([O-])c1cc([O-])c(OC(F)F)cc1C(F)F ZINC000575662992 382781948 /nfs/dbraw/zinc/78/19/48/382781948.db2.gz NVGZNHPBMJSRMP-UHFFFAOYSA-N -1 1 255.123 2.839 10 5 CFBEMM O=c1[n-]cnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000040586678 174345553 /nfs/dbraw/zinc/34/55/53/174345553.db2.gz UCGVAEHIKCNYOX-UHFFFAOYSA-N -1 1 283.243 2.624 10 5 CFBEMM O=C([O-])CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000050444709 527589738 /nfs/dbraw/zinc/58/97/38/527589738.db2.gz VFSVWFNLQWRYPT-UHFFFAOYSA-N -1 1 298.726 2.687 10 5 CFBEMM O=[N+]([O-])c1cc([O-])cc(C(F)(F)F)c1OC(F)F ZINC000575668728 382783298 /nfs/dbraw/zinc/78/32/98/382783298.db2.gz WTBFMAZEGVZZNE-UHFFFAOYSA-N -1 1 273.113 2.921 10 5 CFBEMM CC(C)c1ccc(Oc2[n-]cnc(=NN)c2[N+](=O)[O-])cc1 ZINC000040611029 174353806 /nfs/dbraw/zinc/35/38/06/174353806.db2.gz IJXCVBIXCVYTOO-UHFFFAOYSA-N -1 1 289.295 2.586 10 5 CFBEMM CCOc1ncnc([N-]c2ccccc2F)c1[N+](=O)[O-] ZINC000040627697 174356933 /nfs/dbraw/zinc/35/69/33/174356933.db2.gz ZWXKVYAVZHWCMH-UHFFFAOYSA-N -1 1 278.243 2.666 10 5 CFBEMM O=[N+]([O-])c1cc(-c2nc(-c3cccs3)n[nH]2)ccc1[O-] ZINC000072237702 176346575 /nfs/dbraw/zinc/34/65/75/176346575.db2.gz LJNCKZQKIJLVKS-UHFFFAOYSA-N -1 1 288.288 2.814 10 5 CFBEMM COc1cccc2c(=O)c3c(OC)cc([O-])cc3oc12 ZINC000142878615 347935248 /nfs/dbraw/zinc/93/52/48/347935248.db2.gz FSKPYZDVBCJCQC-UHFFFAOYSA-N -1 1 272.256 2.669 10 5 CFBEMM O=[N+]([O-])c1cc([O-])c(OC(F)F)cc1C(F)(F)F ZINC000575665504 382782422 /nfs/dbraw/zinc/78/24/22/382782422.db2.gz GCJOEADCCRAPBM-UHFFFAOYSA-N -1 1 273.113 2.921 10 5 CFBEMM Cc1ccc([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000005212395 170076711 /nfs/dbraw/zinc/07/67/11/170076711.db2.gz GRELNDXUCKNMKG-UHFFFAOYSA-N -1 1 272.260 2.861 10 5 CFBEMM CCCNc1ncnc([N-]c2ccc(C)cn2)c1[N+](=O)[O-] ZINC000040597137 174349315 /nfs/dbraw/zinc/34/93/15/174349315.db2.gz MWAAVGYHJFTGLT-UHFFFAOYSA-N -1 1 288.311 2.654 10 5 CFBEMM O=c1ccnc(SCc2cc([N+](=O)[O-])ccc2Cl)[n-]1 ZINC000037404442 173180893 /nfs/dbraw/zinc/18/08/93/173180893.db2.gz MKQNWTADMWRUTC-UHFFFAOYSA-N -1 1 297.723 2.624 10 5 CFBEMM CCNc1ncnc([N-]c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000040596564 174348938 /nfs/dbraw/zinc/34/89/38/174348938.db2.gz INLBMEKUSLOHOF-UHFFFAOYSA-N -1 1 295.249 2.838 10 5 CFBEMM CC(C)Oc1[n-]cnc(=NNc2ccccc2)c1[N+](=O)[O-] ZINC000040624630 174356391 /nfs/dbraw/zinc/35/63/91/174356391.db2.gz FLYSHOGEPSDUJQ-UHFFFAOYSA-N -1 1 289.295 2.611 10 5 CFBEMM COc1cc(O)c2c(=O)c3c([O-])cc(C)oc-3cc2c1C ZINC000014684940 560224367 /nfs/dbraw/zinc/22/43/67/560224367.db2.gz RWYDRASBOZUJPY-UHFFFAOYSA-N -1 1 286.283 2.983 10 5 biogenic,in-vitro CFBEMM O=Cc1c([O-])c(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000136215884 347909286 /nfs/dbraw/zinc/90/92/86/347909286.db2.gz UQYDNANYVIRPNX-UHFFFAOYSA-N -1 1 273.244 2.692 10 5 CFBEMM C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000086791931 179336056 /nfs/dbraw/zinc/33/60/56/179336056.db2.gz UHAXHZHQKOUPCG-CMPLNLGQSA-N -1 1 278.308 2.595 10 5 CFBEMM COc1cc2c(cc1[O-])oc(=O)c1cc(C(C)=O)ccc21 ZINC000013558835 372031511 /nfs/dbraw/zinc/03/15/11/372031511.db2.gz DSJJWYLTABUBAA-UHFFFAOYSA-N -1 1 284.267 2.863 10 5 CFBEMM CSc1c([O-])ccc(Br)c1[N+](=O)[O-] ZINC000575692585 382789485 /nfs/dbraw/zinc/78/94/85/382789485.db2.gz ZLBXGMTUUURASG-UHFFFAOYSA-N -1 1 264.100 2.785 10 5 CFBEMM CCC(CC)(c1ccc([N+](=O)[O-])cc1)[P@](=O)([O-])O ZINC000022129818 171354734 /nfs/dbraw/zinc/35/47/34/171354734.db2.gz KNQFNKAUVYUOIG-UHFFFAOYSA-N -1 1 273.225 2.788 10 5 CFBEMM O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3cccs3)n[nH]2)c1 ZINC000072237768 176346532 /nfs/dbraw/zinc/34/65/32/176346532.db2.gz IMGRVGZAGCXMEK-UHFFFAOYSA-N -1 1 288.288 2.814 10 5 CFBEMM Cc1nc(-c2ccccc2[N+](=O)[O-])[n-]c(=O)c1C(C)C ZINC000061688323 526609201 /nfs/dbraw/zinc/60/92/01/526609201.db2.gz REOZCAMAHOBFMH-UHFFFAOYSA-N -1 1 273.292 2.777 10 5 CFBEMM C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000086791934 179336350 /nfs/dbraw/zinc/33/63/50/179336350.db2.gz UHAXHZHQKOUPCG-ZYHUDNBSSA-N -1 1 278.308 2.595 10 5 CFBEMM O=[N+]([O-])c1cc(Br)cc([O-])c1OC(F)F ZINC000575684470 382787574 /nfs/dbraw/zinc/78/75/74/382787574.db2.gz GOKKWVMFHCISKL-UHFFFAOYSA-N -1 1 284.012 2.664 10 5 CFBEMM CSc1cc([O-])cc([N+](=O)[O-])c1Br ZINC000575692579 382789315 /nfs/dbraw/zinc/78/93/15/382789315.db2.gz ZHYXCMCRUUQOHD-UHFFFAOYSA-N -1 1 264.100 2.785 10 5 CFBEMM O=[N+]([O-])c1cc([O-])c(OC(F)(F)F)c(OC(F)F)c1 ZINC000575668155 382782694 /nfs/dbraw/zinc/78/26/94/382782694.db2.gz RJWVFSMGUVKYLC-UHFFFAOYSA-N -1 1 289.112 2.800 10 5 CFBEMM COc1cc2c(cc1[O-])oc1cccc(OC)c1c2=O ZINC000014822033 372073704 /nfs/dbraw/zinc/07/37/04/372073704.db2.gz GIIJGJLVDMQDQS-UHFFFAOYSA-N -1 1 272.256 2.669 10 5 CFBEMM O=[N+]([O-])c1cc([O-])cc(OC(F)F)c1C(F)(F)F ZINC000575665434 382782412 /nfs/dbraw/zinc/78/24/12/382782412.db2.gz FCHLBMJRCUKNMN-UHFFFAOYSA-N -1 1 273.113 2.921 10 5 CFBEMM O=[N+]([O-])c1cc([O-])c(OC(F)F)c(C(F)(F)F)c1 ZINC000575665198 382782407 /nfs/dbraw/zinc/78/24/07/382782407.db2.gz BUQNMMXAVKPDTJ-UHFFFAOYSA-N -1 1 273.113 2.921 10 5 CFBEMM O=c1ccnc(SCc2ccc(Cl)c([N+](=O)[O-])c2)[n-]1 ZINC000037404444 173180546 /nfs/dbraw/zinc/18/05/46/173180546.db2.gz NVYJILBCFYTVSQ-UHFFFAOYSA-N -1 1 297.723 2.624 10 5 CFBEMM O=[N+]([O-])c1cc(C(F)F)cc([O-])c1OC(F)F ZINC000575662868 382781995 /nfs/dbraw/zinc/78/19/95/382781995.db2.gz LDSFTPMMAUTWID-UHFFFAOYSA-N -1 1 255.123 2.839 10 5 CFBEMM O=[N+]([O-])c1cc(OC(F)F)cc([O-])c1OC(F)(F)F ZINC000575666286 382782381 /nfs/dbraw/zinc/78/23/81/382782381.db2.gz HWVCRPUIXBKNBP-UHFFFAOYSA-N -1 1 289.112 2.800 10 5 CFBEMM O=[N+]([O-])c1cc([O-])c(OC(F)F)cc1Br ZINC000575685894 382787758 /nfs/dbraw/zinc/78/77/58/382787758.db2.gz MKINVEISRYBZAB-UHFFFAOYSA-N -1 1 284.012 2.664 10 5 CFBEMM O=[N+]([O-])c1cc([O-])c(C(F)F)cc1OC(F)F ZINC000575662548 382781860 /nfs/dbraw/zinc/78/18/60/382781860.db2.gz AEMQHOYTUKQSRJ-UHFFFAOYSA-N -1 1 255.123 2.839 10 5 CFBEMM CCOc1cc(/C=C\[N+](=O)[O-])cc(Br)c1[O-] ZINC000006498099 170207270 /nfs/dbraw/zinc/20/72/70/170207270.db2.gz CCDAKERDCYBSDH-ARJAWSKDSA-N -1 1 288.097 2.801 10 5 CFBEMM O=c1cc([O-])c([N+](=O)[O-])c2oc(-c3ccccc3)cc(O)c1-2 ZINC000006582553 170215868 /nfs/dbraw/zinc/21/58/68/170215868.db2.gz OKXTXFWJUDLXKG-UHFFFAOYSA-N -1 1 299.238 2.779 10 5 CFBEMM O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)[nH]2)ccc1[O-] ZINC000072237701 176346710 /nfs/dbraw/zinc/34/67/10/176346710.db2.gz MXLUOBOJTXMNEY-UHFFFAOYSA-N -1 1 282.259 2.753 10 5 CFBEMM O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)n[nH]2)ccc1[O-] ZINC000072237701 176346711 /nfs/dbraw/zinc/34/67/11/176346711.db2.gz MXLUOBOJTXMNEY-UHFFFAOYSA-N -1 1 282.259 2.753 10 5 CFBEMM O=[N+]([O-])c1cc([O-])cc(C(F)F)c1OC(F)F ZINC000575662985 382781819 /nfs/dbraw/zinc/78/18/19/382781819.db2.gz NRVNZJTWKFDAKE-UHFFFAOYSA-N -1 1 255.123 2.839 10 5 CFBEMM CC(C)c1ccc(Nc2nc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000040594746 174348260 /nfs/dbraw/zinc/34/82/60/174348260.db2.gz UARJVJSBQGBVJV-UHFFFAOYSA-N -1 1 274.280 2.545 10 5 CFBEMM Cc1ccc([N-]c2ncnc(NC(C)C)c2[N+](=O)[O-])nc1 ZINC000040597734 174349731 /nfs/dbraw/zinc/34/97/31/174349731.db2.gz IUJZEYNEPNXISQ-UHFFFAOYSA-N -1 1 288.311 2.652 10 5 CFBEMM O=[N+]([O-])c1cc([O-])c(OC(F)F)c(C(F)F)c1 ZINC000575662859 382782007 /nfs/dbraw/zinc/78/20/07/382782007.db2.gz KWCMUKWZAPSOLD-UHFFFAOYSA-N -1 1 255.123 2.839 10 5 CFBEMM O=C(Nc1ccc([O-])cc1[N+](=O)[O-])c1cccc(Cl)n1 ZINC000051073303 527239299 /nfs/dbraw/zinc/23/92/99/527239299.db2.gz IFSCXJWCRLJHEV-UHFFFAOYSA-N -1 1 293.666 2.601 10 5 CFBEMM CCOC(=O)c1cc([O-])c2cc([N+](=O)[O-])ccc2c1 ZINC000095937648 185034558 /nfs/dbraw/zinc/03/45/58/185034558.db2.gz UPRMWVUIGCNYFQ-UHFFFAOYSA-N -1 1 261.233 2.630 10 5 CFBEMM O=C(Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000584614433 348689973 /nfs/dbraw/zinc/68/99/73/348689973.db2.gz XOVMAPPNDDAAHN-UHFFFAOYSA-N -1 1 259.217 2.520 10 5 CFBEMM Cc1ccc(Sc2nc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000040650332 174365080 /nfs/dbraw/zinc/36/50/80/174365080.db2.gz ARVDHGWXKYYTKK-UHFFFAOYSA-N -1 1 263.278 2.550 10 5 CFBEMM Cc1nc(-c2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C(C)C ZINC000061688233 526595075 /nfs/dbraw/zinc/59/50/75/526595075.db2.gz GORYMCCQKQLCSJ-UHFFFAOYSA-N -1 1 273.292 2.777 10 5 CFBEMM O=C([O-])C[C@@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444739 527629025 /nfs/dbraw/zinc/62/90/25/527629025.db2.gz LRSAKDYLGWDUDI-NSHDSACASA-N -1 1 298.726 2.687 10 5 CFBEMM CC(C)(C)c1cc(=O)[n-]c(-c2ccccc2[N+](=O)[O-])n1 ZINC000044732057 175241029 /nfs/dbraw/zinc/24/10/29/175241029.db2.gz YKIOALYMVJZPKL-UHFFFAOYSA-N -1 1 273.292 2.643 10 5 CFBEMM NN=c1nc[n-]c(Oc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040583509 174345843 /nfs/dbraw/zinc/34/58/43/174345843.db2.gz IFCBYPKQHBUVBB-UHFFFAOYSA-N -1 1 297.274 2.616 10 5 CFBEMM O=c1c2ccccc2oc2c(C[P@@](=O)([O-])O)cccc12 ZINC000026732621 372328133 /nfs/dbraw/zinc/32/81/33/372328133.db2.gz WZJDLJUDKKDPLH-UHFFFAOYSA-N -1 1 290.211 2.624 10 5 CFBEMM O=c1[n-]cnc(Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040627272 174356956 /nfs/dbraw/zinc/35/69/56/174356956.db2.gz RAJARXMMFSOPNM-UHFFFAOYSA-N -1 1 282.259 2.575 10 5 CFBEMM Cc1nc(-c2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C(C)C ZINC000061688232 526578800 /nfs/dbraw/zinc/57/88/00/526578800.db2.gz JUOTVJZKVCJDSD-UHFFFAOYSA-N -1 1 273.292 2.777 10 5 CFBEMM CCOC(=O)c1cc([N+](=O)[O-])c(=O)[n-]c1-c1ccccc1 ZINC000575434099 382770874 /nfs/dbraw/zinc/77/08/74/382770874.db2.gz FUAZJPFJBUMYSU-UHFFFAOYSA-N -1 1 288.259 2.539 10 5 CFBEMM O=[N+]([O-])c1cc([O-])cc(OC(F)F)c1C(F)F ZINC000575663214 382782023 /nfs/dbraw/zinc/78/20/23/382782023.db2.gz TUAOUMTZQQBLPV-UHFFFAOYSA-N -1 1 255.123 2.839 10 5 CFBEMM O=[N+]([O-])c1c(Cl)ncnc1[N-]c1ccccc1F ZINC000040571273 174338602 /nfs/dbraw/zinc/33/86/02/174338602.db2.gz GXBUOEVWVMCQAQ-UHFFFAOYSA-N -1 1 268.635 2.921 10 5 CFBEMM CCC1(C(=O)[O-])CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000086788394 179333834 /nfs/dbraw/zinc/33/38/34/179333834.db2.gz FURFCLPDBVEAES-UHFFFAOYSA-N -1 1 298.364 2.733 10 5 CFBEMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1F ZINC000070269146 374159849 /nfs/dbraw/zinc/15/98/49/374159849.db2.gz LCDXDBORMPEVKH-UHFFFAOYSA-N -1 1 296.279 2.535 10 5 CFBEMM O=[N+]([O-])c1cc([O-])cc(Br)c1OC(F)F ZINC000575684528 382787594 /nfs/dbraw/zinc/78/75/94/382787594.db2.gz GYYDDGRTBXUIGZ-UHFFFAOYSA-N -1 1 284.012 2.664 10 5 CFBEMM Cc1ccc([N+](=O)[O-])cc1-c1nc2c(c(=O)[n-]1)CCCC2 ZINC000050441255 526066350 /nfs/dbraw/zinc/06/63/50/526066350.db2.gz JTNGWNPBBRUCLC-UHFFFAOYSA-N -1 1 285.303 2.532 10 5 CFBEMM O=C(Nc1ccc2c(c1)CCCN2)c1ccc([N+](=O)[O-])[n-]1 ZINC000071214758 527274358 /nfs/dbraw/zinc/27/43/58/527274358.db2.gz JSJNERUSWFPFCM-UHFFFAOYSA-N -1 1 286.291 2.533 10 5 CFBEMM CCc1c(C)nc(-c2cc([N+](=O)[O-])ccc2C)[n-]c1=O ZINC000050441253 523708814 /nfs/dbraw/zinc/70/88/14/523708814.db2.gz MXPLELXQNYAKQB-UHFFFAOYSA-N -1 1 273.292 2.524 10 5 CFBEMM O=C([O-])C[C@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444738 527636001 /nfs/dbraw/zinc/63/60/01/527636001.db2.gz LRSAKDYLGWDUDI-LLVKDONJSA-N -1 1 298.726 2.687 10 5 CFBEMM CC(C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1)=Cc1ccccc1 ZINC000020157341 372234722 /nfs/dbraw/zinc/23/47/22/372234722.db2.gz NQLCPPMQXFYLQK-XBLVEGMJSA-N -1 1 299.286 2.500 10 5 CFBEMM NN=c1nc[n-]c(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000040586642 174345634 /nfs/dbraw/zinc/34/56/34/174345634.db2.gz WUGJLJNIMLNWOQ-UHFFFAOYSA-N -1 1 297.274 2.616 10 5 CFBEMM O=[N+]([O-])c1cc([O-])c(OC(F)F)c(Br)c1 ZINC000575686958 382788142 /nfs/dbraw/zinc/78/81/42/382788142.db2.gz QERKWRLTNOBSRD-UHFFFAOYSA-N -1 1 284.012 2.664 10 5 CFBEMM CSc1c(Br)cc([O-])cc1[N+](=O)[O-] ZINC000575692562 382789609 /nfs/dbraw/zinc/78/96/09/382789609.db2.gz YWISFLLSPZCWHW-UHFFFAOYSA-N -1 1 264.100 2.785 10 5 CFBEMM Cc1nc2c(cnn2-c2ccc([N+](=O)[O-])cc2)c(=S)[n-]1 ZINC000008375092 282094633 /nfs/dbraw/zinc/09/46/33/282094633.db2.gz RRFCPQGERFLAEP-UHFFFAOYSA-N -1 1 287.304 2.646 10 5 CFBEMM O=[N+]([O-])c1cc(C(F)(F)F)cc([O-])c1OC(F)F ZINC000575665303 382782376 /nfs/dbraw/zinc/78/23/76/382782376.db2.gz CHEKAWZSIVWMHK-UHFFFAOYSA-N -1 1 273.113 2.921 10 5 CFBEMM O=[N+]([O-])c1c(Br)ccc([O-])c1OC(F)F ZINC000575688384 382788650 /nfs/dbraw/zinc/78/86/50/382788650.db2.gz ZAJCYIKSZUVDPY-UHFFFAOYSA-N -1 1 284.012 2.664 10 5 CFBEMM CCCCc1ccc(Nc2nc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000040581332 174344884 /nfs/dbraw/zinc/34/48/84/174344884.db2.gz OQTHUOQAXSBEAJ-UHFFFAOYSA-N -1 1 288.307 2.764 10 5 CFBEMM