smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]Cc1cc(Br)ccc1[O-] ZINC000001871326 383939416 /nfs/dbraw/zinc/93/94/16/383939416.db2.gz HGJUESRQRPWOTN-UHFFFAOYSA-N 0 1 202.051 1.613 50 10 BDCAMN O=C1NC(=O)C(=Cc2ccccc2)C(=O)N1 ZINC000018202813 342934774 /nfs/dbraw/zinc/93/47/74/342934774.db2.gz CMWDWOZYVQQAMI-UHFFFAOYSA-N 0 1 216.196 1.276 50 10 BDCAMN Cc1nn(C)c(C)c1N=Nc1[nH]cnc1C(N)=O ZINC000252634633 364628353 /nfs/dbraw/zinc/62/83/53/364628353.db2.gz WPMYXHVLNJJYDY-UHFFFAOYSA-N 0 1 247.262 1.274 50 10 BDCAMN CCN(CC)CC(=O)Nc1ccc(N)cc1 ZINC000008703588 346681913 /nfs/dbraw/zinc/68/19/13/346681913.db2.gz GVHLGRUOHQCCLA-UHFFFAOYSA-N 0 1 221.304 1.549 50 10 BDCAMN O=c1cc(O)cc(/C=C/c2ccc(O)c(O)c2)o1 ZINC000100031035 384610572 /nfs/dbraw/zinc/61/05/72/384610572.db2.gz SGJNQVTUYXCBKH-HNQUOIGGSA-N 0 1 246.218 1.927 50 10 biogenic,in-vitro BDCAMN NC1=C2C(=CC(=O)NC2=O)[N-][N@H+]1c1ccccc1 ZINC000100254451 387284745 /nfs/dbraw/zinc/28/47/45/387284745.db2.gz QDQPFDKWYQPJRB-UHFFFAOYSA-N 0 1 242.238 1.414 50 10 BDCAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1CN=O ZINC000008553261 168134001 /nfs/dbraw/zinc/13/40/01/168134001.db2.gz YGNRXUWALJNDHK-YRNVUSSQSA-N 0 1 231.255 1.580 50 10 BDCAMN COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000003896836 175048439 /nfs/dbraw/zinc/04/84/39/175048439.db2.gz IWKTUKNFSHWMNP-UHFFFAOYSA-N 0 1 246.222 1.285 50 10 BDCAMN CC[C@H]1C(=O)NCCN1Cc1c(C)cccc1O ZINC000585117372 961858490 /nfs/dbraw/zinc/85/84/90/961858490.db2.gz ZRRCKQOBFCCWDS-LBPRGKRZSA-N 0 1 248.326 1.411 50 10 BDCAMN Nc1ccc(NC(=O)CN2CCCC2)cc1 ZINC000008703590 342803001 /nfs/dbraw/zinc/80/30/01/342803001.db2.gz XOUXKZYAZIUGDV-UHFFFAOYSA-N 0 1 219.288 1.303 50 10 BDCAMN COC(=O)c1sc(-n2cccn2)cc1O ZINC000012394575 342851049 /nfs/dbraw/zinc/85/10/49/342851049.db2.gz UQUBVSSBJVKZNS-UHFFFAOYSA-N 0 1 224.241 1.426 50 10 BDCAMN CC(C)=C1C(=O)NN(c2ccc(F)cc2)C1=O ZINC000059416944 188049821 /nfs/dbraw/zinc/04/98/21/188049821.db2.gz DXBGYYGDOOJVNI-UHFFFAOYSA-N 0 1 234.230 1.540 50 10 BDCAMN C[C@@H]1CN(Cc2ccc(N)cc2)C[C@@H](C)O1 ZINC000019798427 176304685 /nfs/dbraw/zinc/30/46/85/176304685.db2.gz BRINXNYVAZTPDR-GHMZBOCLSA-N 0 1 220.316 1.878 50 10 BDCAMN CC(C)(C)OC(=O)N1CCC[C@@H]1C([O-])=C[N+]#N ZINC000071790986 384179812 /nfs/dbraw/zinc/17/98/12/384179812.db2.gz FADVKNFSLDTPFW-MRVPVSSYSA-N 0 1 239.275 1.256 50 10 BDCAMN COc1ccc(N2CCN(C)CC2)c(N)c1 ZINC000045886093 536693141 /nfs/dbraw/zinc/69/31/41/536693141.db2.gz ABCXATWRVDOEFZ-UHFFFAOYSA-N 0 1 221.304 1.029 50 10 BDCAMN Cc1ccc(-n2[nH]c(=O)cc2O)c(C)c1 ZINC000005379865 346615564 /nfs/dbraw/zinc/61/55/64/346615564.db2.gz VDFZUYVVCURXSP-UHFFFAOYSA-N 0 1 204.229 1.071 50 10 BDCAMN Nc1ccc([NH+]2CCC(C(=O)[O-])CC2)cc1 ZINC000061957960 385147122 /nfs/dbraw/zinc/14/71/22/385147122.db2.gz LGEIAIUCXVOVKY-UHFFFAOYSA-N 0 1 220.272 1.570 50 10 BDCAMN COC(=O)c1sc2cccnc2c1O ZINC000052537269 398073227 /nfs/dbraw/zinc/07/32/27/398073227.db2.gz XHUQSLOQAMJFNH-UHFFFAOYSA-N 0 1 209.226 1.789 50 10 BDCAMN C[C@H](O)C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000130740934 411437790 /nfs/dbraw/zinc/43/77/90/411437790.db2.gz IGURAORCGKOJCX-QMMMGPOBSA-N 0 1 229.707 1.858 50 10 BDCAMN Cc1ccc(C=C2C(=O)NC(=O)NC2=O)o1 ZINC000017029298 178355403 /nfs/dbraw/zinc/35/54/03/178355403.db2.gz IHXRUBWAIYFCFU-UHFFFAOYSA-N 0 1 220.184 1.178 50 10 BDCAMN [NH3+]Cc1ccc(Br)cc1[O-] ZINC000082639036 384253786 /nfs/dbraw/zinc/25/37/86/384253786.db2.gz LDTJJRBVBKQOLQ-UHFFFAOYSA-N 0 1 202.051 1.613 50 10 BDCAMN CN(C)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019823754 385315884 /nfs/dbraw/zinc/31/58/84/385315884.db2.gz JGGVOJGVZUEIKM-UHFFFAOYSA-N 0 1 228.723 1.697 50 10 BDCAMN COc1ccc(N2CCN(C)CC2)cc1N ZINC000032013987 175139754 /nfs/dbraw/zinc/13/97/54/175139754.db2.gz SYEDMDVIKBUJET-UHFFFAOYSA-N 0 1 221.304 1.029 50 10 BDCAMN Cc1cc(O)c(CN2CCOCC2)cc1C ZINC000033029234 178195195 /nfs/dbraw/zinc/19/51/95/178195195.db2.gz AOXCBRQKKRUDBF-UHFFFAOYSA-N 0 1 221.300 1.841 50 10 BDCAMN Oc1cc2c(cc1O)[C@H](c1cccnc1)NCC2 ZINC000019691271 183263410 /nfs/dbraw/zinc/26/34/10/183263410.db2.gz INWHESSIQOIMBL-AWEZNQCLSA-N 0 1 242.278 1.728 50 10 BDCAMN Cc1ccc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc1 ZINC000000447200 178355386 /nfs/dbraw/zinc/35/53/86/178355386.db2.gz JPJWJZPIXBFQJZ-YFHOEESVSA-N 0 1 244.250 1.087 50 10 BDCAMN O=C1NC(=O)C(=Cc2cccc(F)c2)C(=O)N1 ZINC000008968678 342806289 /nfs/dbraw/zinc/80/62/89/342806289.db2.gz FNFPBHZOAYXEHJ-UHFFFAOYSA-N 0 1 234.186 1.415 50 10 BDCAMN Cc1ccc(O)c(CN2CCOCC2)c1 ZINC000034559610 350471233 /nfs/dbraw/zinc/47/12/33/350471233.db2.gz BCCOSFYPVNYOMF-UHFFFAOYSA-N 0 1 207.273 1.533 50 10 BDCAMN O=c1[nH][nH]cc1C=Nc1ccc([N+](=O)[O-])cc1 ZINC000004053585 384039021 /nfs/dbraw/zinc/03/90/21/384039021.db2.gz WKZRCOKBOUFSBS-FNORWQNLSA-N 0 1 232.199 1.006 50 10 BDCAMN O=C1NC(=O)C(=Cc2ccsc2)C(=O)N1 ZINC000004114499 342742791 /nfs/dbraw/zinc/74/27/91/342742791.db2.gz XPIZDKMPDWJHGB-UHFFFAOYSA-N 0 1 222.225 1.338 50 10 BDCAMN N#[N+]C=C([O-])CCNC(=S)Nc1ccccc1 ZINC000004794631 183317615 /nfs/dbraw/zinc/31/76/15/183317615.db2.gz HCWCDWBPAGYASS-UHFFFAOYSA-N 0 1 248.311 1.233 50 10 BDCAMN CC[C@H](NC(=O)OC(C)(C)C)C([O-])=C[N+]#N ZINC000216643875 385870268 /nfs/dbraw/zinc/87/02/68/385870268.db2.gz IBBWOEQNMACOPM-ZETCQYMHSA-N 0 1 227.264 1.159 50 10 BDCAMN CC(C)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC000053193262 167096935 /nfs/dbraw/zinc/09/69/35/167096935.db2.gz BIQMIYWSZZTXEX-UHFFFAOYSA-N 0 1 209.245 1.279 50 10 biogenic BDCAMN O=S1(=O)Nc2cccc3cccc(c32)N1 ZINC000000482071 342688488 /nfs/dbraw/zinc/68/84/88/342688488.db2.gz OKJFOLZKZHSIND-UHFFFAOYSA-N 0 1 220.253 1.922 50 10 BDCAMN N#C[N-][N+](=O)c1ccc2oc(=O)ccc2c1 ZINC000100938760 181026594 /nfs/dbraw/zinc/02/65/94/181026594.db2.gz DOFDHEFJHGIYQO-SEYXRHQNSA-N 0 1 215.168 1.868 50 10 BDCAMN Cc1cc(C)c(O)c(CN2CCOCC2)c1 ZINC000012953887 384343700 /nfs/dbraw/zinc/34/37/00/384343700.db2.gz DZKLFCPPSYPMPY-UHFFFAOYSA-N 0 1 221.300 1.841 50 10 BDCAMN CCN1CC[NH+](CCOc2ccc(N)cc2)CC1 ZINC000019201466 342943359 /nfs/dbraw/zinc/94/33/59/342943359.db2.gz CBIUHNVXMPGTQP-UHFFFAOYSA-N 0 1 249.358 1.285 50 10 BDCAMN O=C1NC(=O)C(=Cc2ccco2)C(=S)N1 ZINC000001249582 353108574 /nfs/dbraw/zinc/10/85/74/353108574.db2.gz LHFAFLUHGHYZCS-XQRVVYSFSA-N 0 1 222.225 1.034 50 10 BDCAMN COCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000004700358 174334209 /nfs/dbraw/zinc/33/42/09/174334209.db2.gz KMTLIMAKRCHSII-UHFFFAOYSA-N 0 1 215.680 1.782 50 10 BDCAMN COc1ccccc1N=Cc1c[nH][nH]c1=O ZINC000006294961 175336207 /nfs/dbraw/zinc/33/62/07/175336207.db2.gz QDOXCKCEQKEWGM-SOFGYWHQSA-N 0 1 217.228 1.107 50 10 BDCAMN CCN(CC)N=Nc1[nH]cnc1[N+](=O)[O-] ZINC000008169723 350128228 /nfs/dbraw/zinc/12/82/28/350128228.db2.gz NCDIUSQDEWJYNR-ZHACJKMWSA-N 0 1 212.213 1.658 50 10 BDCAMN C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000011920613 173386196 /nfs/dbraw/zinc/38/61/96/173386196.db2.gz XVEDWUMXQCOGAE-UHFFFAOYSA-N 0 1 216.078 1.874 50 10 BDCAMN COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1 ZINC000004159337 175240717 /nfs/dbraw/zinc/24/07/17/175240717.db2.gz BOLATYDZIJXMRI-UHFFFAOYSA-N 0 1 246.222 1.285 50 10 biogenic BDCAMN Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000036949951 343328281 /nfs/dbraw/zinc/32/82/81/343328281.db2.gz DYDIXKXTRPCMCF-UHFFFAOYSA-N 0 1 245.326 1.556 50 10 BDCAMN C[C@@H]1CN(Cc2ccc(N)cc2)C[C@H](C)O1 ZINC000012418036 177263291 /nfs/dbraw/zinc/26/32/91/177263291.db2.gz BRINXNYVAZTPDR-PHIMTYICSA-N 0 1 220.316 1.878 50 10 BDCAMN O=C1NC(=O)C(=C[C@@H]2CC=CCC2)C(=O)N1 ZINC000000136766 342676580 /nfs/dbraw/zinc/67/65/80/342676580.db2.gz YQCKBDIUSLPKLF-SSDOTTSWSA-N 0 1 220.228 1.475 50 10 BDCAMN Nc1ccc([N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000019088005 132324135 /nfs/dbraw/zinc/32/41/35/132324135.db2.gz RHFGGTHQZGSMPS-SECBINFHSA-N 0 1 220.272 1.570 50 10 BDCAMN Nc1ccc([N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000019088005 132324137 /nfs/dbraw/zinc/32/41/37/132324137.db2.gz RHFGGTHQZGSMPS-SECBINFHSA-N 0 1 220.272 1.570 50 10 BDCAMN C[C@H]1CN(Cc2ccc(N)cc2)C[C@H](C)O1 ZINC000019798428 177263284 /nfs/dbraw/zinc/26/32/84/177263284.db2.gz BRINXNYVAZTPDR-QWRGUYRKSA-N 0 1 220.316 1.878 50 10 BDCAMN Oc1cc2c(cc1O)[C@@H](c1ccncc1)NCC2 ZINC000016546118 183262682 /nfs/dbraw/zinc/26/26/82/183262682.db2.gz TZBPVQNBIUPZMZ-CQSZACIVSA-N 0 1 242.278 1.728 50 10 BDCAMN O=c1[nH][nH]cc1C=Nc1cc(Cl)ccc1O ZINC000095921843 384408120 /nfs/dbraw/zinc/40/81/20/384408120.db2.gz DGKIXVAVKINBRD-GQCTYLIASA-N 0 1 237.646 1.457 50 10 BDCAMN Nc1ccc([N@@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000019088010 132324032 /nfs/dbraw/zinc/32/40/32/132324032.db2.gz RHFGGTHQZGSMPS-VIFPVBQESA-N 0 1 220.272 1.570 50 10 BDCAMN Nc1ccc([N@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000019088010 132324034 /nfs/dbraw/zinc/32/40/34/132324034.db2.gz RHFGGTHQZGSMPS-VIFPVBQESA-N 0 1 220.272 1.570 50 10 BDCAMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1C ZINC000002949564 347519391 /nfs/dbraw/zinc/51/93/91/347519391.db2.gz MLTSEFIKMJOBFA-UHFFFAOYSA-N 0 1 247.254 1.232 50 10 BDCAMN Nc1ccc(CCN2CCOCC2)cc1 ZINC000019623909 181704347 /nfs/dbraw/zinc/70/43/47/181704347.db2.gz LLPIMIMXCXEFER-UHFFFAOYSA-N 0 1 206.289 1.144 50 10 BDCAMN CCc1ccc(-n2[nH]c(=O)cc2O)cc1 ZINC000005954367 385051423 /nfs/dbraw/zinc/05/14/23/385051423.db2.gz ZMDODIJSLJMUJZ-UHFFFAOYSA-N 0 1 204.229 1.017 50 10 BDCAMN CC[C@@H]1C(=O)NCCN1Cc1c(C)cccc1O ZINC000585117371 972150300 /nfs/dbraw/zinc/15/03/00/972150300.db2.gz ZRRCKQOBFCCWDS-GFCCVEGCSA-N 0 1 248.326 1.411 50 10 BDCAMN COC(=O)c1cc(O)c(C(=O)OC)s1 ZINC000000081638 383823959 /nfs/dbraw/zinc/82/39/59/383823959.db2.gz GIBGVHMTXFZCBN-UHFFFAOYSA-N 0 1 216.214 1.027 50 10 BDCAMN Nc1ccc(OCc2nc(C3CC3)n[nH]2)cc1 ZINC000072221226 384200279 /nfs/dbraw/zinc/20/02/79/384200279.db2.gz OAZQWIQVNMCSCL-UHFFFAOYSA-N 0 1 230.271 1.843 50 10 BDCAMN Nc1ccc(OCc2n[nH]c(C3CC3)n2)cc1 ZINC000072221226 384200282 /nfs/dbraw/zinc/20/02/82/384200282.db2.gz OAZQWIQVNMCSCL-UHFFFAOYSA-N 0 1 230.271 1.843 50 10 BDCAMN O=c1[nH][nH]cc1C=Nc1cc(Cl)ccc1O ZINC000095921842 384407473 /nfs/dbraw/zinc/40/74/73/384407473.db2.gz DGKIXVAVKINBRD-XQRVVYSFSA-N 0 1 237.646 1.457 50 10 BDCAMN Cc1nc(COc2ccc(N)cc2)n[nH]1 ZINC000062719597 385184365 /nfs/dbraw/zinc/18/43/65/385184365.db2.gz PJWVOCATJVVPEK-UHFFFAOYSA-N 0 1 204.233 1.274 50 10 BDCAMN Cc1ccc(-n2[nH]c(=O)cc2O)cc1C ZINC000000050792 343138650 /nfs/dbraw/zinc/13/86/50/343138650.db2.gz XWLIFZHBTPRPDW-UHFFFAOYSA-N 0 1 204.229 1.071 50 10 BDCAMN CN1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O ZINC000016996282 362981918 /nfs/dbraw/zinc/98/19/18/362981918.db2.gz WLYFXVUBKUTKOE-RXXVAJQJSA-N 0 1 246.222 1.768 50 10 BDCAMN Cc1cc(C)c(CN2CCOCC2)c(O)c1 ZINC000012953893 384344164 /nfs/dbraw/zinc/34/41/64/384344164.db2.gz YQOZOAAEHOXIRK-UHFFFAOYSA-N 0 1 221.300 1.841 50 10 BDCAMN COCCN1CCN(c2ccc(N)cc2)CC1 ZINC000011756038 132320493 /nfs/dbraw/zinc/32/04/93/132320493.db2.gz LZYIXSDJJBZCEM-UHFFFAOYSA-N 0 1 235.331 1.037 50 10 BDCAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CN=O ZINC000013483320 168133839 /nfs/dbraw/zinc/13/38/39/168133839.db2.gz HMJWZZMTECOVBC-POHAHGRESA-N 0 1 235.218 1.411 50 10 BDCAMN Cc1n[nH]c(C)c1N=Nc1[nH]cnc1C(N)=O ZINC000006187715 386812960 /nfs/dbraw/zinc/81/29/60/386812960.db2.gz HHSGLXXMDRAIII-FOCLMDBBSA-N 0 1 233.235 1.264 50 10 BDCAMN C[N@H+]1CCCC1=CC=C1SC(=S)[N-]C1=O ZINC000100123484 173001340 /nfs/dbraw/zinc/00/13/40/173001340.db2.gz CVJBCVRBBBKQDB-IUNAMMOKSA-N 0 1 240.353 1.628 50 10 BDCAMN COc1cccc(N=Nc2c(N)[nH][nH]c2=O)c1 ZINC000252600427 526165433 /nfs/dbraw/zinc/16/54/33/526165433.db2.gz DREHMIDUIKYIHS-UHFFFAOYSA-N 0 1 233.231 1.709 50 10 BDCAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1CN=O ZINC000005342539 168133923 /nfs/dbraw/zinc/13/39/23/168133923.db2.gz YEEDBNJRBKCICM-GHXNOFRVSA-N 0 1 245.282 1.889 50 10 BDCAMN C[C@@H](O)C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000130741136 411437284 /nfs/dbraw/zinc/43/72/84/411437284.db2.gz IGURAORCGKOJCX-MRVPVSSYSA-N 0 1 229.707 1.858 50 10 BDCAMN O=[N+]([O-])/C=C/c1cc(O)c(O)cc1[N+](=O)[O-] ZINC000036439264 356367958 /nfs/dbraw/zinc/36/79/58/356367958.db2.gz CRZSVYVRNQBKHH-OWOJBTEDSA-N 0 1 226.144 1.253 50 10 BDCAMN CC(C)NC(=O)CNCc1ccc2c(c1)CCO2 ZINC000037363088 133458978 /nfs/dbraw/zinc/45/89/78/133458978.db2.gz ABDRCFHFTOYSGB-UHFFFAOYSA-N 0 1 248.326 1.236 50 10 BDCAMN O=C([O-])[C@@H]1CS[C@@H](c2ccccc2O)[NH2+]1 ZINC000000087075 342673682 /nfs/dbraw/zinc/67/36/82/342673682.db2.gz APAUAYLVDHNFBF-CBAPKCEASA-N 0 1 225.269 1.180 50 10 BDCAMN CN1C(=O)NC(=O)C(=Cc2ccc(F)cc2)C1=O ZINC000008994076 373114925 /nfs/dbraw/zinc/11/49/25/373114925.db2.gz QSEKERIULRAYHL-RMKNXTFCSA-N 0 1 248.213 1.758 50 10 BDCAMN NC(=O)CCSC(=S)NCc1ccco1 ZINC000002703277 181227005 /nfs/dbraw/zinc/22/70/05/181227005.db2.gz IMMLRCZMGUEYTN-UHFFFAOYSA-N 0 1 244.341 1.263 50 10 BDCAMN Cc1ccc(C)c(C=C2C(=O)NC(=O)NC2=O)c1 ZINC000015015574 384415731 /nfs/dbraw/zinc/41/57/31/384415731.db2.gz DFHKZOMEZCFCNE-UHFFFAOYSA-N 0 1 244.250 1.053 50 10 BDCAMN CC(=Cc1ccco1)C=C1C(=O)NC(=O)NC1=O ZINC000044973382 411142996 /nfs/dbraw/zinc/14/29/96/411142996.db2.gz LXOPTDULVOIOBW-FNORWQNLSA-N 0 1 246.222 1.816 50 10 BDCAMN CCOC(C)=C1SC(=S)NC1=O ZINC000012341818 170179236 /nfs/dbraw/zinc/17/92/36/170179236.db2.gz MOWRYXSVQDYHLJ-SNAWJCMRSA-N 0 1 203.288 1.402 50 10 BDCAMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)[nH]1 ZINC000003002706 342729245 /nfs/dbraw/zinc/72/92/45/342729245.db2.gz LCXLZDYBAVKPBT-UHFFFAOYSA-N 0 1 233.227 1.221 50 10 BDCAMN O=C1NC(=O)C(=C[C@H]2CC=CCC2)C(=O)N1 ZINC000003157609 342730872 /nfs/dbraw/zinc/73/08/72/342730872.db2.gz YQCKBDIUSLPKLF-ZETCQYMHSA-N 0 1 220.228 1.475 50 10 BDCAMN Cc1nc2c(ccc([O-])c2C[NH+](C)C)[nH]1 ZINC000000229665 180064595 /nfs/dbraw/zinc/06/45/95/180064595.db2.gz KOXFMYCKLMXBLJ-UHFFFAOYSA-N 0 1 205.261 1.639 50 10 BDCAMN Oc1cc2c(cc1O)[C@@H](c1cccnc1)NCC2 ZINC000019691273 183262287 /nfs/dbraw/zinc/26/22/87/183262287.db2.gz INWHESSIQOIMBL-CQSZACIVSA-N 0 1 242.278 1.728 50 10 BDCAMN O=c1[nH][nH]cc1C=Nc1ccc([N+](=O)[O-])cc1 ZINC000095921841 384408288 /nfs/dbraw/zinc/40/82/88/384408288.db2.gz WKZRCOKBOUFSBS-ALCCZGGFSA-N 0 1 232.199 1.006 50 10 BDCAMN Cc1nn(C)c(C)c1N=Nc1[nH]cnc1C(N)=O 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