smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(CN=Nc2nn[n-]n2)cc(Cl)c1OCC ZINC000006350953 181333416 /nfs/dbraw/zinc/33/34/16/181333416.db2.gz LMTFPJQQEWHIKV-VGOFMYFVSA-N -1 1 310.745 2.097 40 30 DEEBMM CCOC(=O)C(Br)=N[N-]c1ccc([N+](=O)[O-])cc1 ZINC000039268974 183015841 /nfs/dbraw/zinc/01/58/41/183015841.db2.gz YMSGGNAAHDVJMH-LCYFTJDESA-N -1 1 316.111 2.278 40 30 DEEBMM Cc1cc(=O)[n-]c(NN=Cc2c(F)c(F)c(F)c(F)c2F)n1 ZINC000013302187 401798383 /nfs/dbraw/zinc/79/83/83/401798383.db2.gz VSGZVEUBAAEZPM-JFQJCAQQSA-N -1 1 318.205 2.220 40 30 DEEBMM C=CCN1C(=O)/C(=C/C(C)=C/c2ccco2)C(=O)[N-]C1=S ZINC000231263809 356284419 /nfs/dbraw/zinc/28/44/19/356284419.db2.gz QERLCFMKZHRNNS-AXDLQRQNSA-N -1 1 302.355 2.039 40 30 DEEBMM Cc1cc(=O)[n-]c(NN[C@H](C#N)c2c(O)ccc3ccccc32)n1 ZINC000017219221 182080290 /nfs/dbraw/zinc/08/02/90/182080290.db2.gz BITKFFANZCHSPD-CYBMUJFWSA-N -1 1 321.340 2.119 40 30 DEEBMM C=CCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1 ZINC000009234962 401760697 /nfs/dbraw/zinc/76/06/97/401760697.db2.gz FYYASFDXWNDWPP-VMPITWQZSA-N -1 1 315.285 2.119 40 30 DEEBMM CCOC(=O)N=C([N-]C(=O)OCC)c1cccc([N+](=O)[O-])c1 ZINC000005717067 181276073 /nfs/dbraw/zinc/27/60/73/181276073.db2.gz XHPIDSKOCQRTKY-UHFFFAOYSA-N -1 1 309.278 2.244 40 30 DEEBMM [O-]/N=C/c1nnc2sc(-c3ccc(/C=N/O)c(Cl)c3)nn12 ZINC000041127189 401927896 /nfs/dbraw/zinc/92/78/96/401927896.db2.gz JBQHNXBETNAMNJ-PCSLFHOQSA-N -1 1 322.737 2.122 40 30 DEEBMM COc1ccc(/C(C[C@]2(O)C(=O)Nc3ccccc32)=N\[O-])cc1 ZINC000013409596 401799455 /nfs/dbraw/zinc/79/94/55/401799455.db2.gz FAWHICXLSKPQDK-JFPYRBRCSA-N -1 1 312.325 2.104 40 30 DEEBMM C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1C(=O)[O-] ZINC000008300564 565095867 /nfs/dbraw/zinc/09/58/67/565095867.db2.gz DZLCBOWVRMHHDJ-MELADBBJSA-N -1 1 314.385 2.011 40 30 biogenic,in-vitro DEEBMM Cc1ccc(S(=O)(=O)[N-]C(=O)NNc2ccc(F)cc2)cc1 ZINC000001857852 401711069 /nfs/dbraw/zinc/71/10/69/401711069.db2.gz LRIYKBIMNVLNTR-UHFFFAOYSA-N -1 1 323.349 2.354 40 30 DEEBMM Cc1ccc(S(=O)(=O)N=C([O-])NNc2ccc(F)cc2)cc1 ZINC000001857852 401711071 /nfs/dbraw/zinc/71/10/71/401711071.db2.gz LRIYKBIMNVLNTR-UHFFFAOYSA-N -1 1 323.349 2.354 40 30 DEEBMM COc1cc([O-])cc2c1C(=O)/C(=C/c1ccc(O)c(O)c1)O2 ZINC000139377346 333216875 /nfs/dbraw/zinc/21/68/75/333216875.db2.gz ZUJPCSCNGYJPAF-RZNTYIFUSA-N -1 1 300.266 2.428 40 30 DEEBMM C=CC(C)(C)c1[nH]c2ccccc2c1C=c1[nH]c(=O)c(=C)[n-]c1=O ZINC000253534716 563814695 /nfs/dbraw/zinc/81/46/95/563814695.db2.gz GVVVEKSVCAGUTP-UHFFFAOYSA-N -1 1 321.380 2.072 40 30 biogenic,in-vitro DEEBMM CCOC(=O)N=C([N-]C(=O)OCC)c1ccccc1[N+](=O)[O-] ZINC000005717078 181276563 /nfs/dbraw/zinc/27/65/63/181276563.db2.gz BSQDAQZRGLFEJO-UHFFFAOYSA-N -1 1 309.278 2.244 40 30 DEEBMM CC(=NNc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000016137183 401819105 /nfs/dbraw/zinc/81/91/05/401819105.db2.gz LKPZEOQEIVZAJJ-VZUCSPMQSA-N -1 1 302.084 2.230 40 30 DEEBMM O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc([O-])c(Cl)c1 ZINC000409348733 227250673 /nfs/dbraw/zinc/25/06/73/227250673.db2.gz SKPKOGHJTGWLOB-UHFFFAOYSA-N -1 1 315.716 2.343 40 30 DEEBMM C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2)C(=O)[N-]C1=S ZINC000016138333 401818804 /nfs/dbraw/zinc/81/88/04/401818804.db2.gz JDIFEOKOJPESSS-FLIBITNWSA-N -1 1 306.774 2.153 40 30 DEEBMM C=CCN1C(=O)/C(=C/c2c(F)cccc2Cl)C(=O)[N-]C1=S ZINC000408966768 526388212 /nfs/dbraw/zinc/38/82/12/526388212.db2.gz QIBDEOKMHSQVSB-VQHVLOKHSA-N -1 1 324.764 2.292 40 30 DEEBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC#N ZINC000409326360 528196031 /nfs/dbraw/zinc/19/60/31/528196031.db2.gz AXGKLTMSXANHHJ-XYOKQWHBSA-N -1 1 320.395 2.476 40 30 DEEBMM C=CCN1C(=O)C(=Cc2ccc(OC)cc2)C(=O)[N-]C1=S ZINC000000496288 401699681 /nfs/dbraw/zinc/69/96/81/401699681.db2.gz JOERLLOSCJBBPG-FMIVXFBMSA-N -1 1 302.355 2.348 40 30 DEEBMM CC(C)c1ccc(/C=N\N=C2/NC(=O)C(CC(=O)[O-])S2)cc1 ZINC000009189431 401759749 /nfs/dbraw/zinc/75/97/49/401759749.db2.gz DTEAZCJUKPARQD-LUMBYOQCSA-N -1 1 319.386 2.206 40 30 DEEBMM O=c1[nH]c2cc([N+](=O)[O-])ccc2nc1C=C([O-])c1cccnc1 ZINC000104237949 402201687 /nfs/dbraw/zinc/20/16/87/402201687.db2.gz DBFGRTWTNAULSK-NTUHNPAUSA-N -1 1 310.269 2.121 40 30 DEEBMM CC(=O)/C(=N\[N-]c1cccc(O)c1)S(=O)(=O)c1ccccc1 ZINC000005726015 401731072 /nfs/dbraw/zinc/73/10/72/401731072.db2.gz ZCRNWFXHZHIFCV-BMRADRMJSA-N -1 1 318.354 2.181 40 30 DEEBMM CC(C)=N/N=C1\SC(CC(=O)[O-])C(=O)N1Cc1ccccc1 ZINC000001466317 401707692 /nfs/dbraw/zinc/70/76/92/401707692.db2.gz OEHNDTPTUSSVGQ-JTFSYWPOSA-N -1 1 319.386 2.357 40 30 DEEBMM O=C(C=Cc1c(=O)[nH]c2ncccc2c1[O-])c1ccccc1O ZINC000006382965 181335850 /nfs/dbraw/zinc/33/58/50/181335850.db2.gz JCVVCLLMMPPFTM-BQYQJAHWSA-N -1 1 308.293 2.230 40 30 DEEBMM Nc1nc2c(c(=O)[n-]1)[C@H]([C@@H]1CC=CCC1)C1=C(CCCC1=O)N2 ZINC000020673898 303504105 /nfs/dbraw/zinc/50/41/05/303504105.db2.gz ZKPLFAIWQXDXGQ-BXKDBHETSA-N -1 1 312.373 2.225 40 30 DEEBMM C=CCNc1nc([O-])c(CC(=O)Nc2cccc(Cl)c2)s1 ZINC000001622432 401709276 /nfs/dbraw/zinc/70/92/76/401709276.db2.gz GYUBDLAWWGIGOY-LLVKDONJSA-N -1 1 323.805 2.442 40 30 DEEBMM C=CCN1C(=O)/C(=C/c2cccc(Cl)c2)C(=O)[N-]C1=S ZINC000000446960 401698360 /nfs/dbraw/zinc/69/83/60/401698360.db2.gz UBQKURQFJVUKLQ-DHZHZOJOSA-N -1 1 306.774 2.153 40 30 DEEBMM Cc1cc(=O)[n-]c(NN[C@@H](C#N)c2c(O)ccc3ccccc32)n1 ZINC000016958271 182066680 /nfs/dbraw/zinc/06/66/80/182066680.db2.gz BITKFFANZCHSPD-ZDUSSCGKSA-N -1 1 321.340 2.119 40 30 DEEBMM C=CCN1C(=O)/C(=C/c2c(C)cc(C)cc2C)C(=O)[N-]C1=S ZINC000408902842 276893454 /nfs/dbraw/zinc/89/34/54/276893454.db2.gz MBVZENUWOYSBBV-NTEUORMPSA-N -1 1 314.410 2.425 40 30 DEEBMM COc1c(Cl)cc(CN=Nc2nn[n-]n2)cc1OC(C)C ZINC000006762715 181384517 /nfs/dbraw/zinc/38/45/17/181384517.db2.gz WFXPHTOJUUXZDY-MKMNVTDBSA-N -1 1 310.745 2.095 40 30 DEEBMM COc1cc(CN=Nc2nn[n-]n2)ccc1OCCC(C)C ZINC000005380470 521995192 /nfs/dbraw/zinc/99/51/92/521995192.db2.gz LMAZMENBVDDSGB-OQLLNIDSSA-N -1 1 304.354 2.079 40 30 DEEBMM Cc1ccc2c(C)nc(Nc3nc(C)c(CC#N)c(=O)[n-]3)nc2c1 ZINC000020673263 182242351 /nfs/dbraw/zinc/24/23/51/182242351.db2.gz YCIKKONIXAWJPK-UHFFFAOYSA-N -1 1 320.356 2.448 40 30 DEEBMM CCOc1cc(/C=N/n2cnnc2)cc(Br)c1[O-] ZINC000003251421 401723460 /nfs/dbraw/zinc/72/34/60/401723460.db2.gz JXFDBLZYQDOQSY-PJQLUOCWSA-N -1 1 311.139 2.027 40 30 DEEBMM CCOC(=O)C(Cl)=N[N-]c1ccc(OC)cc1[N+](=O)[O-] ZINC000252474611 528572019 /nfs/dbraw/zinc/57/20/19/528572019.db2.gz IGYCEGYJFMGCFG-UHFFFAOYSA-N -1 1 301.686 2.131 40 30 DEEBMM CCOC(=O)N=C([N-]C(=O)OCC)c1ccc([N+](=O)[O-])cc1 ZINC000005717049 181276492 /nfs/dbraw/zinc/27/64/92/181276492.db2.gz ZYTIBEDDRAPSAI-UHFFFAOYSA-N -1 1 309.278 2.244 40 30 DEEBMM CCOc1ccc(C=NNc2nc(C)cc(=O)[n-]2)cc1OCC ZINC000031667479 401873048 /nfs/dbraw/zinc/87/30/48/401873048.db2.gz CBENQDZVPFFLNL-YVLHZVERSA-N -1 1 316.361 2.322 40 30 DEEBMM Cc1cccc2c(C)nc(Nc3nc(C)c(CC#N)c(=O)[n-]3)nc12 ZINC000020673254 182242201 /nfs/dbraw/zinc/24/22/01/182242201.db2.gz UBIWSERJDLTXNN-UHFFFAOYSA-N -1 1 320.356 2.448 40 30 DEEBMM C=CCn1c(CCNC(=O)c2ccc(F)cc2)n[n-]c1=S ZINC000085400192 401915564 /nfs/dbraw/zinc/91/55/64/401915564.db2.gz BSUMQECIURFNJT-UHFFFAOYSA-N -1 1 306.366 2.238 40 30 DEEBMM c1c(CN=Nc2nn[n-]n2)c2ccccc2n1Cc1ccccc1 ZINC000408974013 424934416 /nfs/dbraw/zinc/93/44/16/424934416.db2.gz UOCOGDRKCSPCPS-VCHYOVAHSA-N -1 1 317.356 2.649 40 30 DEEBMM C=CCc1c(C)nc(N2CCN(c3ccccc3)CC2)[n-]c1=O ZINC000013611865 401801376 /nfs/dbraw/zinc/80/13/76/401801376.db2.gz LQYCETRATYYISP-UHFFFAOYSA-N -1 1 310.401 2.133 40 30 DEEBMM CCc1n[nH]c(=S)n1N=Cc1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000020164010 333308636 /nfs/dbraw/zinc/30/86/36/333308636.db2.gz JZCIZXREOZVTQN-AWNIVKPZSA-N -1 1 323.334 2.008 40 30 DEEBMM N#CCSc1nnc(NN=Cc2cc(Cl)ccc2O)[n-]1 ZINC000020435797 182217008 /nfs/dbraw/zinc/21/70/08/182217008.db2.gz RFQMXPQLCUZIDM-MKMNVTDBSA-N -1 1 308.754 2.225 40 30 DEEBMM CCOc1ccc(/N=C2/SC(CC(=O)[O-])C(=O)N2C)cc1 ZINC000059254520 184136039 /nfs/dbraw/zinc/13/60/39/184136039.db2.gz FVYVEGXVNYHXEX-BFWGRDPESA-N -1 1 308.359 2.121 40 30 DEEBMM Cc1cc(=O)[n-]c(NN=Cc2cc(Br)ccc2O)n1 ZINC000008619256 401754764 /nfs/dbraw/zinc/75/47/64/401754764.db2.gz FUEYAMPVHZVECP-NSIKDUERSA-N -1 1 323.150 2.405 40 30 DEEBMM Cc1cc(=O)[n-]c(NN=Cc2ccc(N(C)C)cc2Cl)n1 ZINC000031667471 401872985 /nfs/dbraw/zinc/87/29/85/401872985.db2.gz WRMOELYPZBAENA-PXNMLYILSA-N -1 1 305.769 2.244 40 30 DEEBMM CC[C@@H](/C(=N/[O-])c1ccc(Br)cc1)S(C)(=O)=O ZINC000096524551 402098534 /nfs/dbraw/zinc/09/85/34/402098534.db2.gz JUMOSLJAUNBXLR-GYXQTMOZSA-N -1 1 320.208 2.451 40 30 DEEBMM O=c1[nH]c2cc([N+](=O)[O-])ccc2nc1C=C([O-])c1ccncc1 ZINC000104237940 402201337 /nfs/dbraw/zinc/20/13/37/402201337.db2.gz QGCYCZQANJMGIB-JYRVWZFOSA-N -1 1 310.269 2.121 40 30 DEEBMM CCS(=O)(=O)[C@H](C)/C(=N/[O-])c1ccc(Br)cc1 ZINC000096524512 402098386 /nfs/dbraw/zinc/09/83/86/402098386.db2.gz NPKSZLFAFPTLIS-KXVPCBDSSA-N -1 1 320.208 2.451 40 30 DEEBMM C[C@@H](/C(=N/[O-])c1ccc(Br)cc1)S(C)(=O)=O ZINC000096524473 402098570 /nfs/dbraw/zinc/09/85/70/402098570.db2.gz SBJGHSFORIEEIY-PCWSUNNMSA-N -1 1 306.181 2.061 40 30 DEEBMM COc1cc(C=NNc2nc(C)cc(=O)[n-]2)ccc1OC(F)F ZINC000007891663 521996736 /nfs/dbraw/zinc/99/67/36/521996736.db2.gz HQMSNISXFZXZMM-REZTVBANSA-N -1 1 324.287 2.134 40 30 DEEBMM COC(=O)N=C([N-]C(=O)OC)c1ccccc1Br ZINC000005719894 181276449 /nfs/dbraw/zinc/27/64/49/181276449.db2.gz WAHSCIKCSOTKMO-UHFFFAOYSA-N -1 1 315.123 2.318 40 30 DEEBMM COC(=O)c1ccc(C(=O)OC)c(-c2ccc(/C=N/[O-])o2)c1 ZINC000216772223 257230741 /nfs/dbraw/zinc/23/07/41/257230741.db2.gz YWIXGQDMSCCKPC-LZYBPNLTSA-N -1 1 303.270 2.328 40 30 DEEBMM O=C1C(=O)C(S(=O)(=O)c2ccccc2)=C([O-])c2ccccc21 ZINC000255189056 402681302 /nfs/dbraw/zinc/68/13/02/402681302.db2.gz NKPLUVUUDBGIFK-UHFFFAOYSA-N -1 1 314.318 2.309 40 30 DEEBMM COc1c(Cl)cc(CN=Nc2nn[n-]n2)cc1OC(C)C ZINC000035189307 521835871 /nfs/dbraw/zinc/83/58/71/521835871.db2.gz WFXPHTOJUUXZDY-NSIKDUERSA-N -1 1 310.745 2.095 40 30 DEEBMM COC(=O)N=C([N-]C(=O)OC)c1cccc(Br)c1 ZINC000005719891 181276466 /nfs/dbraw/zinc/27/64/66/181276466.db2.gz QWWXDHRNTJBZPS-UHFFFAOYSA-N -1 1 315.123 2.318 40 30 DEEBMM CC[C@H](/C(=N/[O-])c1ccc(Br)cc1)S(C)(=O)=O ZINC000096524552 193675749 /nfs/dbraw/zinc/67/57/49/193675749.db2.gz JUMOSLJAUNBXLR-IMTQZCPYSA-N -1 1 320.208 2.451 40 30 DEEBMM CS[C@H]1C(C(=O)C(C)C)C(=CC(=O)[O-])C(=O)N1CC(C)C ZINC000062716462 257128792 /nfs/dbraw/zinc/12/87/92/257128792.db2.gz NPKYONVXYURUGK-HNNXBMFYSA-N -1 1 313.419 2.170 40 30 DEEBMM COc1ccc(/C(C[C@@]2(O)C(=O)Nc3ccccc32)=N\[O-])cc1 ZINC000013409592 401799223 /nfs/dbraw/zinc/79/92/23/401799223.db2.gz FAWHICXLSKPQDK-STZPCZCHSA-N -1 1 312.325 2.104 40 30 DEEBMM Nc1nc2c(c(=O)[n-]1)[C@H]([C@H]1CC=CCC1)C1=C(CCCC1=O)N2 ZINC000020673892 401824388 /nfs/dbraw/zinc/82/43/88/401824388.db2.gz ZKPLFAIWQXDXGQ-JOYOIKCWSA-N -1 1 312.373 2.225 40 30 DEEBMM CCOC(=O)C(Br)=N[N-]c1ccc([N+](=O)[O-])cc1 ZINC000068602753 402202758 /nfs/dbraw/zinc/20/27/58/402202758.db2.gz YMSGGNAAHDVJMH-UKTHLTGXSA-N -1 1 316.111 2.278 40 30 DEEBMM COc1cc(C=Nn2c(C)n[n-]c2=S)c([N+](=O)[O-])cc1OC ZINC000045926704 354267920 /nfs/dbraw/zinc/26/79/20/354267920.db2.gz ORCDBIREYJNSPM-AWNIVKPZSA-N -1 1 323.334 2.057 40 30 DEEBMM C=CCN1C(=O)/C(=C\c2ccccc2Cl)C(=O)[N-]C1=S ZINC000015012424 401815439 /nfs/dbraw/zinc/81/54/39/401815439.db2.gz OYKZESVIFMDMSC-NTMALXAHSA-N -1 1 306.774 2.153 40 30 DEEBMM CCS(=O)(=O)[C@@H](C)/C(=N/[O-])c1ccc(Br)cc1 ZINC000096524511 402098600 /nfs/dbraw/zinc/09/86/00/402098600.db2.gz NPKSZLFAFPTLIS-WBGQNJONSA-N -1 1 320.208 2.451 40 30 DEEBMM COc1cc(C([O-])=C(C(C)=O)C(C)=O)c([N+](=O)[O-])cc1OC ZINC000100988227 402143298 /nfs/dbraw/zinc/14/32/98/402143298.db2.gz OARHPSUMOFYSCV-NTUHNPAUSA-N -1 1 309.274 2.216 40 30 DEEBMM C=CCN1C(=O)/C(=C/c2ccc(Cl)s2)C(=O)[N-]C1=S ZINC000219967131 402300262 /nfs/dbraw/zinc/30/02/62/402300262.db2.gz ZGRBGHUEFLHFQK-SOFGYWHQSA-N -1 1 312.803 2.214 40 30 DEEBMM C=CCN1C(=O)/C(=C/C(C)=C/c2ccccc2)C(=O)[N-]C1=S ZINC000408901663 273485090 /nfs/dbraw/zinc/48/50/90/273485090.db2.gz AEUDLJQQEWSJDT-NCPBJGSTSA-N -1 1 312.394 2.446 40 30 DEEBMM COc1cc(CN=Nc2nn[n-]n2)ccc1OCc1ccccc1 ZINC000035188668 522008101 /nfs/dbraw/zinc/00/81/01/522008101.db2.gz NGARNXYMRSAUOW-YVLHZVERSA-N -1 1 324.344 2.233 40 30 DEEBMM CCN(CC)c1ccc(C=Nn2c(=O)cn[n-]c2=S)cc1 ZINC000005008997 353992984 /nfs/dbraw/zinc/99/29/84/353992984.db2.gz STDCJLOIOBQBGB-CXUHLZMHSA-N -1 1 303.391 2.029 40 30 DEEBMM COc1ccc(C=NC(=S)Nc2nc(C)cc(=O)[n-]2)cc1 ZINC000005401686 418413207 /nfs/dbraw/zinc/41/32/07/418413207.db2.gz BXQKFLQHLAVEHB-OVCLIPMQSA-N -1 1 302.359 2.315 40 30 DEEBMM CCOC(=O)C(Br)=N[N-]c1ccc([N+](=O)[O-])cc1 ZINC000245241176 528548034 /nfs/dbraw/zinc/54/80/34/528548034.db2.gz YMSGGNAAHDVJMH-UHFFFAOYSA-N -1 1 316.111 2.278 40 30 DEEBMM O=C([O-])[C@@H](Cc1cnc[nH]1)N=Cc1c(O)ccc2ccccc21 ZINC000034762318 527648394 /nfs/dbraw/zinc/64/83/94/527648394.db2.gz VNUQLWYTGZQBME-VTNJTDAWSA-N -1 1 309.325 2.383 40 30 DEEBMM CC(C)c1ccc(/C=N\N=C2/NC(=O)C(CC(=O)[O-])S2)cc1 ZINC000012368520 401783999 /nfs/dbraw/zinc/78/39/99/401783999.db2.gz DTEAZCJUKPARQD-VJMCZWTHSA-N -1 1 319.386 2.206 40 30 DEEBMM CCCCC1=C([O-])c2ccccc2C(=NNC(N)=S)C1=O ZINC000018251935 401821812 /nfs/dbraw/zinc/82/18/12/401821812.db2.gz HPXRYRMITFPDFP-ATVHPVEESA-N -1 1 303.387 2.423 40 30 DEEBMM CCCCC1=C([O-])c2ccccc2C(=NNC(N)=S)C1=O ZINC000104230781 402201632 /nfs/dbraw/zinc/20/16/32/402201632.db2.gz HPXRYRMITFPDFP-SFQUDFHCSA-N -1 1 303.387 2.423 40 30 DEEBMM O=[N+]([O-])c1ccc(N=NCc2ccc([O-])c([N+](=O)[O-])c2)nc1 ZINC000408750750 227246752 /nfs/dbraw/zinc/24/67/52/227246752.db2.gz RHKHESWMUHBTQH-NSIKDUERSA-N -1 1 303.234 2.050 40 30 DEEBMM C=CCOc1cc(N(CC)CC)ccc1C=[NH+][N-]c1nnn[n-]1 ZINC000006386891 181336444 /nfs/dbraw/zinc/33/64/44/181336444.db2.gz HNPGAQVXJQQBCK-LFIBNONCSA-N -1 1 315.381 2.057 40 30 DEEBMM C=CCOc1cc(N(CC)CC)ccc1CN=Nc1nn[n-]n1 ZINC000006386891 181336447 /nfs/dbraw/zinc/33/64/47/181336447.db2.gz HNPGAQVXJQQBCK-LFIBNONCSA-N -1 1 315.381 2.057 40 30 DEEBMM 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