smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H](C(=O)NCc2ccc(O)cc2O)[NH+](C)C)cc1 ZINC000091435327 193055402 /nfs/dbraw/zinc/05/54/02/193055402.db2.gz BRICPXMRAVNEFQ-QGZVFWFLSA-N 1 1 314.385 2.325 50 10 DECAMO O=C1N=C(N2CC[N@H+]3CCC[C@@H]3C2)S/C1=C/c1ccccc1 ZINC000020607876 296355073 /nfs/dbraw/zinc/35/50/73/296355073.db2.gz YQRSFQXYLCBEBA-XDPMZMSMSA-N 1 1 313.426 2.437 50 10 DECAMO CC[N@@H+](CCO)Cc1cc(-c2cccc(OC)n2)ccc1O ZINC000020776581 683859351 /nfs/dbraw/zinc/85/93/51/683859351.db2.gz LOPIAOBRIUYQQR-UHFFFAOYSA-N 1 1 302.374 2.277 50 10 DECAMO COc1ccc(N2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000065625977 184375428 /nfs/dbraw/zinc/37/54/28/184375428.db2.gz RHNZBOIBGDXXJU-UHFFFAOYSA-N 1 1 319.449 2.074 50 10 DECAMO CCOc1cc([N+](=O)[O-])c(N2CC[NH+](C)CC2)cc1OCC ZINC000009378863 276494108 /nfs/dbraw/zinc/49/41/08/276494108.db2.gz QQCPNMLNLBMDCS-UHFFFAOYSA-N 1 1 309.366 2.144 50 10 DECAMO Cc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)C[N+]#N)c1 ZINC000005582671 292161675 /nfs/dbraw/zinc/16/16/75/292161675.db2.gz SNCLWZXIXRLMRJ-UHFFFAOYSA-N 1 1 315.354 2.279 50 10 DECAMO Cc1ccc([C@@H](C(=O)NCc2ccc(O)cc2O)[NH+](C)C)cc1 ZINC000091435326 193054863 /nfs/dbraw/zinc/05/48/63/193054863.db2.gz BRICPXMRAVNEFQ-KRWDZBQOSA-N 1 1 314.385 2.325 50 10 DECAMO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(N2CCN(C)CC2)cc1 ZINC000071825371 402283393 /nfs/dbraw/zinc/28/33/93/402283393.db2.gz MKQVMGRMYKPHTB-AWEZNQCLSA-N 1 1 313.449 2.321 50 10 DECAMO COCCn1cnnc1[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000952975849 792837534 /nfs/dbraw/zinc/83/75/34/792837534.db2.gz XURSWYODGBNGLO-ZDUSSCGKSA-N 1 1 304.394 2.092 50 10 DECAMO Cc1cnc(C)c(-c2ccc(O)c(C[N@H+]3CCC[C@@H](O)C3)c2)n1 ZINC000019114294 182105325 /nfs/dbraw/zinc/10/53/25/182105325.db2.gz DASULEXIUPVVSR-MRXNPFEDSA-N 1 1 313.401 2.423 50 10 DECAMO CCN(CC)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)cc1 ZINC000065506548 184356968 /nfs/dbraw/zinc/35/69/68/184356968.db2.gz OAKGONGKUWLYLU-SJORKVTESA-N 1 1 301.434 2.386 50 10 DECAMO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)on1 ZINC000078553079 401855590 /nfs/dbraw/zinc/85/55/90/401855590.db2.gz SBGWIAALWDSHPR-UHFFFAOYSA-N 1 1 305.353 2.249 50 10 DECAMO Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)C[N+]#N)cc1 ZINC000004869480 539327453 /nfs/dbraw/zinc/32/74/53/539327453.db2.gz KHKSOXMNYWMGSY-UHFFFAOYSA-N 1 1 315.354 2.279 50 10 DECAMO CCOC(=O)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000023624807 182364726 /nfs/dbraw/zinc/36/47/26/182364726.db2.gz TUBJQRGKYSBIBO-UHFFFAOYSA-N 1 1 304.390 2.155 50 10 DECAMO C[NH+](C)[C@@H](C(=O)NCc1ccc(O)cc1O)c1cccc(F)c1 ZINC000095354942 402027274 /nfs/dbraw/zinc/02/72/74/402027274.db2.gz JGPBNXRIGLWBKH-MRXNPFEDSA-N 1 1 318.348 2.156 50 10 DECAMO CC(C)[N@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1CCO ZINC000020452315 683858547 /nfs/dbraw/zinc/85/85/47/683858547.db2.gz BFVHJOGMSZHNBT-HNNXBMFYSA-N 1 1 312.841 2.323 50 10 DECAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000089983568 185274236 /nfs/dbraw/zinc/27/42/36/185274236.db2.gz CVGLKAHNDJUTCO-ZDUSSCGKSA-N 1 1 307.390 2.484 50 10 DECAMO Nc1nc2c(c(-c3cccnc3)n1)C[N@H+](Cc1ccccc1O)C2 ZINC000065425264 184343072 /nfs/dbraw/zinc/34/30/72/184343072.db2.gz QNGMJNFBBXKRAD-UHFFFAOYSA-N 1 1 319.368 2.342 50 10 DECAMO Nc1nc2c(c(-c3cccnc3)n1)C[N@@H+](Cc1ccccc1O)C2 ZINC000065425264 184343074 /nfs/dbraw/zinc/34/30/74/184343074.db2.gz QNGMJNFBBXKRAD-UHFFFAOYSA-N 1 1 319.368 2.342 50 10 DECAMO COc1ccc(N2CCN(C[C@H]3CC[NH2+]C3)CC2(C)C)cc1 ZINC000107120841 402226308 /nfs/dbraw/zinc/22/63/08/402226308.db2.gz PCAPVYMLUTUKNL-HNNXBMFYSA-N 1 1 303.450 2.205 50 10 DECAMO C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000072117694 191038511 /nfs/dbraw/zinc/03/85/11/191038511.db2.gz SQOIXSXAQXHEQR-MRXNPFEDSA-N 1 1 301.434 2.245 50 10 DECAMO CC(C)CC[N@H+]1CCN(Cc2ccccc2O)C[C@H]1CCO ZINC000104538701 194014724 /nfs/dbraw/zinc/01/47/24/194014724.db2.gz CWHJHOGMNUMNRS-QGZVFWFLSA-N 1 1 306.450 2.307 50 10 DECAMO CC(C)CCN1CC[N@H+](Cc2ccccc2O)C[C@H]1CCO ZINC000104538701 194014726 /nfs/dbraw/zinc/01/47/26/194014726.db2.gz CWHJHOGMNUMNRS-QGZVFWFLSA-N 1 1 306.450 2.307 50 10 DECAMO CC(C)CCN1CC[N@@H+](Cc2ccccc2O)C[C@H]1CCO ZINC000104538701 194014729 /nfs/dbraw/zinc/01/47/29/194014729.db2.gz CWHJHOGMNUMNRS-QGZVFWFLSA-N 1 1 306.450 2.307 50 10 DECAMO CN1CCC([N@H+](C)Cc2cc(-c3cnccn3)ccc2O)CC1 ZINC000011966485 401778204 /nfs/dbraw/zinc/77/82/04/401778204.db2.gz ANEYCWKPGQWXCZ-UHFFFAOYSA-N 1 1 312.417 2.375 50 10 DECAMO CN1CCC([N@@H+](C)Cc2cc(-c3cnccn3)ccc2O)CC1 ZINC000011966485 401778205 /nfs/dbraw/zinc/77/82/05/401778205.db2.gz ANEYCWKPGQWXCZ-UHFFFAOYSA-N 1 1 312.417 2.375 50 10 DECAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000089983566 185274589 /nfs/dbraw/zinc/27/45/89/185274589.db2.gz CVGLKAHNDJUTCO-CYBMUJFWSA-N 1 1 307.390 2.484 50 10 DECAMO Cc1cc(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)ccc1N(C)C ZINC000097230257 355703217 /nfs/dbraw/zinc/70/32/17/355703217.db2.gz KDHSCZJJWRQFAY-OAHLLOKOSA-N 1 1 321.490 2.115 50 10 DECAMO OCC[C@H]1CN(Cc2ccccc2O)CC[N@H+]1C1CCCC1 ZINC000023360319 182358060 /nfs/dbraw/zinc/35/80/60/182358060.db2.gz GZBOLFXVYZYZTI-KRWDZBQOSA-N 1 1 304.434 2.203 50 10 DECAMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](O)C2)c1O ZINC000023281727 354058665 /nfs/dbraw/zinc/05/86/65/354058665.db2.gz ZOVHCYNWJLRZTL-NSHDSACASA-N 1 1 316.195 2.120 50 10 DECAMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000012534282 401787594 /nfs/dbraw/zinc/78/75/94/401787594.db2.gz SNMDTCZBIMILPM-UHFFFAOYSA-N 1 1 323.440 2.427 50 10 DECAMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000012534282 401787597 /nfs/dbraw/zinc/78/75/97/401787597.db2.gz SNMDTCZBIMILPM-UHFFFAOYSA-N 1 1 323.440 2.427 50 10 DECAMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000022853450 182337313 /nfs/dbraw/zinc/33/73/13/182337313.db2.gz LUNPGGYLJJSZJV-HNNXBMFYSA-N 1 1 310.825 2.342 50 10 DECAMO C[NH+](C)[C@H](C(=O)NCc1ccc(O)cc1O)c1cccc(F)c1 ZINC000095354941 402026799 /nfs/dbraw/zinc/02/67/99/402026799.db2.gz JGPBNXRIGLWBKH-INIZCTEOSA-N 1 1 318.348 2.156 50 10 DECAMO CC[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1ccccc1O ZINC000095976930 402040525 /nfs/dbraw/zinc/04/05/25/402040525.db2.gz RAKOZVPKWARMHI-TZMCWYRMSA-N 1 1 308.447 2.397 50 10 DECAMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](O)C2)c1O ZINC000023281725 354058165 /nfs/dbraw/zinc/05/81/65/354058165.db2.gz ZOVHCYNWJLRZTL-LLVKDONJSA-N 1 1 316.195 2.120 50 10 DECAMO COc1cccc(CNC(=O)NCC[N@H+]2CCCC[C@H]2C)c1O ZINC000071794526 402278069 /nfs/dbraw/zinc/27/80/69/402278069.db2.gz NDEIXTCIMOHIFV-CYBMUJFWSA-N 1 1 321.421 2.074 50 10 DECAMO CC(C)[N@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO ZINC000828747045 783849119 /nfs/dbraw/zinc/84/91/19/783849119.db2.gz BFVHJOGMSZHNBT-OAHLLOKOSA-N 1 1 312.841 2.323 50 10 DECAMO C[N@H+]1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000072117693 191038743 /nfs/dbraw/zinc/03/87/43/191038743.db2.gz SQOIXSXAQXHEQR-INIZCTEOSA-N 1 1 301.434 2.245 50 10 DECAMO COc1cc(Br)cc(C[N@H+](C)CCN(C)C)c1O ZINC000019632741 683858606 /nfs/dbraw/zinc/85/86/06/683858606.db2.gz SCHHUTYPGYHNHE-UHFFFAOYSA-N 1 1 317.227 2.157 50 10 DECAMO COc1cc(Br)cc(C[N@@H+](C)CCN(C)C)c1O ZINC000019632741 683858609 /nfs/dbraw/zinc/85/86/09/683858609.db2.gz SCHHUTYPGYHNHE-UHFFFAOYSA-N 1 1 317.227 2.157 50 10 DECAMO O=C(N1CCCC1)C1(F)CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000581818363 777842995 /nfs/dbraw/zinc/84/29/95/777842995.db2.gz OPWMVUSPHNKEJF-UHFFFAOYSA-N 1 1 324.371 2.458 50 10 DECAMO COc1ccc(N2CCC([N@@H+](C)CCC3OCCO3)CC2)cc1 ZINC000195565971 356257915 /nfs/dbraw/zinc/25/79/15/356257915.db2.gz TVHRMEJQVZLHHL-UHFFFAOYSA-N 1 1 320.433 2.359 50 10 DECAMO CC(C)([N+](=O)[O-])[N+](=O)Nc1nonc1NCc1ccccc1 ZINC000225415707 402317312 /nfs/dbraw/zinc/31/73/12/402317312.db2.gz DIRAGUOGVIYBAT-UHFFFAOYSA-N 1 1 307.290 2.180 50 10 DECAMO CCOCc1cc(C[NH+]2CCOCC2)c(O)c2ncccc12 ZINC000020439850 182217799 /nfs/dbraw/zinc/21/77/99/182217799.db2.gz ZKVXQPRLXAKKMS-UHFFFAOYSA-N 1 1 302.374 2.309 50 10 DECAMO CCn1ncc(C[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000585087117 540255879 /nfs/dbraw/zinc/25/58/79/540255879.db2.gz GNZBMSVSLGLETM-UHFFFAOYSA-N 1 1 311.183 2.056 50 10 DECAMO Cc1cnc(C)c(-c2ccc(O)c(C[N@H+]3CCC[C@H](O)C3)c2)n1 ZINC000019114297 182105315 /nfs/dbraw/zinc/10/53/15/182105315.db2.gz DASULEXIUPVVSR-INIZCTEOSA-N 1 1 313.401 2.423 50 10 DECAMO Cc1ccccc1[C@H](C(=O)NCc1ccc(O)cc1O)[NH+](C)C ZINC000095496922 185374341 /nfs/dbraw/zinc/37/43/41/185374341.db2.gz FFJIZNGUSSHGAJ-QGZVFWFLSA-N 1 1 314.385 2.325 50 10 DECAMO CCC[N@@H+](CCO)Cc1cc(Br)cc(OC)c1O ZINC000004987770 353993748 /nfs/dbraw/zinc/99/37/48/353993748.db2.gz GJPWXBVTQTZSIE-UHFFFAOYSA-N 1 1 318.211 2.368 50 10 DECAMO O=C1N=C(N2CC[N@H+]3CCC[C@H]3C2)S/C1=C/c1ccccc1 ZINC000020607878 296354903 /nfs/dbraw/zinc/35/49/03/296354903.db2.gz YQRSFQXYLCBEBA-AYYGCFCKSA-N 1 1 313.426 2.437 50 10 DECAMO Cc1cccc([C@H](C(=O)NCc2ccc(O)cc2O)[NH+](C)C)c1 ZINC000095382729 402031091 /nfs/dbraw/zinc/03/10/91/402031091.db2.gz ZLPNTUWBOUAETE-QGZVFWFLSA-N 1 1 314.385 2.325 50 10 DECAMO Cc1ccccc1[C@@H](C(=O)NCc1ccc(O)cc1O)[NH+](C)C ZINC000095496921 185374356 /nfs/dbraw/zinc/37/43/56/185374356.db2.gz FFJIZNGUSSHGAJ-KRWDZBQOSA-N 1 1 314.385 2.325 50 10 DECAMO COc1ccc(N2CCC([NH2+]Cc3cn[nH]c3C)CC2)cc1 ZINC000078979904 185139388 /nfs/dbraw/zinc/13/93/88/185139388.db2.gz KSZJFHHWVUUNBZ-UHFFFAOYSA-N 1 1 300.406 2.485 50 10 DECAMO OC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000023281197 182355724 /nfs/dbraw/zinc/35/57/24/182355724.db2.gz KAEPIAULGMMCTL-SNVBAGLBSA-N 1 1 300.196 2.359 50 10 DECAMO OCC[C@@H]1CN(Cc2ccccc2O)CC[N@H+]1C1CCCC1 ZINC000023360316 182358503 /nfs/dbraw/zinc/35/85/03/182358503.db2.gz GZBOLFXVYZYZTI-QGZVFWFLSA-N 1 1 304.434 2.203 50 10 DECAMO COc1ccc(N2CCN(c3cc(N)[nH+]cn3)CC2(C)C)cc1 ZINC000096166523 402064475 /nfs/dbraw/zinc/06/44/75/402064475.db2.gz GACKAJSUZRXGHU-UHFFFAOYSA-N 1 1 313.405 2.173 50 10 DECAMO O[C@@H]1C[N@H+](C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@H]1F ZINC000952984789 792865043 /nfs/dbraw/zinc/86/50/43/792865043.db2.gz ZQVKXTUNTOMXTA-QZTJIDSGSA-N 1 1 304.409 2.159 50 10 DECAMO CC(C)(C)OC(=O)N1CC[NH+](CCc2ccc(N)cc2)CC1 ZINC000019726919 182139254 /nfs/dbraw/zinc/13/92/54/182139254.db2.gz UUFMWTVUJADGLZ-UHFFFAOYSA-N 1 1 305.422 2.364 50 10 DECAMO CC[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1ccccc1O ZINC000095976932 402040556 /nfs/dbraw/zinc/04/05/56/402040556.db2.gz RAKOZVPKWARMHI-GXTWGEPZSA-N 1 1 308.447 2.397 50 10 DECAMO OC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000023281199 182355428 /nfs/dbraw/zinc/35/54/28/182355428.db2.gz KAEPIAULGMMCTL-JTQLQIEISA-N 1 1 300.196 2.359 50 10 DECAMO CC(C)N1CCc2cc(C[N@H+]3CCC[C@H](C(N)=O)C3)ccc21 ZINC000006306609 635488207 /nfs/dbraw/zinc/48/82/07/635488207.db2.gz SLZGCZRAIAGKSA-INIZCTEOSA-N 1 1 301.434 2.155 50 10 DECAMO CC(C)CC[N@H+]1CCN(Cc2ccccc2O)C[C@@H]1CCO ZINC000023374030 182358788 /nfs/dbraw/zinc/35/87/88/182358788.db2.gz CWHJHOGMNUMNRS-KRWDZBQOSA-N 1 1 306.450 2.307 50 10 DECAMO CC(C)CCN1CC[N@H+](Cc2ccccc2O)C[C@@H]1CCO ZINC000023374030 182358790 /nfs/dbraw/zinc/35/87/90/182358790.db2.gz CWHJHOGMNUMNRS-KRWDZBQOSA-N 1 1 306.450 2.307 50 10 DECAMO CC(C)CCN1CC[N@@H+](Cc2ccccc2O)C[C@@H]1CCO ZINC000023374030 182358791 /nfs/dbraw/zinc/35/87/91/182358791.db2.gz CWHJHOGMNUMNRS-KRWDZBQOSA-N 1 1 306.450 2.307 50 10 DECAMO CC(C)N1CCc2cc(C[N@H+]3CCC[C@@H](C(N)=O)C3)ccc21 ZINC000016266238 683853760 /nfs/dbraw/zinc/85/37/60/683853760.db2.gz SLZGCZRAIAGKSA-MRXNPFEDSA-N 1 1 301.434 2.155 50 10 DECAMO C[NH+](C)Cc1cc(-c2nccn2CC[NH+]2CCCC2)ccc1[O-] ZINC000071750461 191021642 /nfs/dbraw/zinc/02/16/42/191021642.db2.gz VVHLKISPVPCLCK-UHFFFAOYSA-N 1 1 314.433 2.413 50 10 DECAMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1C(C)C ZINC000027165316 401844063 /nfs/dbraw/zinc/84/40/63/401844063.db2.gz XLVUJEQMBRKVAJ-AWEZNQCLSA-N 1 1 311.447 2.443 50 10 DECAMO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1C(C)C ZINC000027165316 401844065 /nfs/dbraw/zinc/84/40/65/401844065.db2.gz XLVUJEQMBRKVAJ-AWEZNQCLSA-N 1 1 311.447 2.443 50 10 DECAMO COc1ccc(N2CCC([N@@H+](C)[C@@H](C)C(=O)N(C)C)CC2)cc1 ZINC000065531363 274113256 /nfs/dbraw/zinc/11/32/56/274113256.db2.gz OMLXJDKUADOWAB-AWEZNQCLSA-N 1 1 319.449 2.073 50 10 DECAMO Cc1cc(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)ccc1N(C)C ZINC000097230259 355703096 /nfs/dbraw/zinc/70/30/96/355703096.db2.gz KDHSCZJJWRQFAY-HNNXBMFYSA-N 1 1 321.490 2.115 50 10 DECAMO Cc1nn(C)cc1C[N@H+]1CCOc2ccc(N(C)C)cc2C1 ZINC000575540844 784251241 /nfs/dbraw/zinc/25/12/41/784251241.db2.gz FKZNXTNIYKCNIP-UHFFFAOYSA-N 1 1 300.406 2.189 50 10 DECAMO Cc1nn(C)cc1C[N@@H+]1CCOc2ccc(N(C)C)cc2C1 ZINC000575540844 784251248 /nfs/dbraw/zinc/25/12/48/784251248.db2.gz FKZNXTNIYKCNIP-UHFFFAOYSA-N 1 1 300.406 2.189 50 10 DECAMO CN(C)c1ccc(/C=C/C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000023282047 354058659 /nfs/dbraw/zinc/05/86/59/354058659.db2.gz PTOFDXIDYVBFRR-HWKANZROSA-N 1 1 323.444 2.378 50 10 DECAMO COc1ccc(N2CCN(C[C@@H]3CC[NH2+]C3)CC2(C)C)cc1 ZINC000077471789 401816594 /nfs/dbraw/zinc/81/65/94/401816594.db2.gz PCAPVYMLUTUKNL-OAHLLOKOSA-N 1 1 303.450 2.205 50 10 DECAMO CCc1cccc(C[N@H+]2CCN(C)[C@H](c3nc(C)no3)C2)c1O ZINC000585091328 789693997 /nfs/dbraw/zinc/69/39/97/789693997.db2.gz LLYRMPCOOMGMSD-HNNXBMFYSA-N 1 1 316.405 2.135 50 10 DECAMO COc1cccc(CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1O ZINC000071794527 402278062 /nfs/dbraw/zinc/27/80/62/402278062.db2.gz NDEIXTCIMOHIFV-ZDUSSCGKSA-N 1 1 321.421 2.074 50 10 DECAMO COc1ccc(N2CCC([N@@H+](C)[C@H](C)C(=O)N(C)C)CC2)cc1 ZINC000065531365 624807481 /nfs/dbraw/zinc/80/74/81/624807481.db2.gz OMLXJDKUADOWAB-CQSZACIVSA-N 1 1 319.449 2.073 50 10 DECAMO COc1ccc2ccc(O)c(C[N@H+]3CCCC[C@@H]3C(N)=O)c2c1 ZINC000009913895 401766882 /nfs/dbraw/zinc/76/68/82/401766882.db2.gz OHJSCHWDBKYKJT-MRXNPFEDSA-N 1 1 314.385 2.394 50 10 DECAMO COc1ccc2ccc(O)c(C[N@H+]3CCCC[C@H]3C(N)=O)c2c1 ZINC000009913899 401766740 /nfs/dbraw/zinc/76/67/40/401766740.db2.gz OHJSCHWDBKYKJT-INIZCTEOSA-N 1 1 314.385 2.394 50 10 DECAMO CC[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1ccccc1O ZINC000095976931 402040389 /nfs/dbraw/zinc/04/03/89/402040389.db2.gz RAKOZVPKWARMHI-JSGCOSHPSA-N 1 1 308.447 2.397 50 10 DECAMO CC[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1ccccc1O ZINC000095976929 402040466 /nfs/dbraw/zinc/04/04/66/402040466.db2.gz RAKOZVPKWARMHI-OCCSQVGLSA-N 1 1 308.447 2.397 50 10 DECAMO c1nnc(C[NH2+]Cc2ccc3c(c2)CCO3)n1-c1ccccc1 ZINC000048366382 424832805 /nfs/dbraw/zinc/83/28/05/424832805.db2.gz CTKWPXOVFUXZQT-UHFFFAOYSA-N 1 1 306.369 2.492 50 10 DECAMO COc1cc(C[NH+]2CCN(C(C)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000025703570 401836777 /nfs/dbraw/zinc/83/67/77/401836777.db2.gz RWMHMICLNTXJPW-UHFFFAOYSA-N 1 1 320.433 2.362 50 10 DECAMO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(N2CCN(C)CC2)cc1 ZINC000071825372 402283550 /nfs/dbraw/zinc/28/35/50/402283550.db2.gz MKQVMGRMYKPHTB-CQSZACIVSA-N 1 1 313.449 2.321 50 10 DECAMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000095974172 280394739 /nfs/dbraw/zinc/39/47/39/280394739.db2.gz MCJHFAFTCAKULH-KRWDZBQOSA-N 1 1 304.434 2.306 50 10 DECAMO CCCN1CC[NH+](Cc2cc(-c3cnccn3)ccc2O)CC1 ZINC000020207553 625036256 /nfs/dbraw/zinc/03/62/56/625036256.db2.gz RFJHDAIGLWSHMY-UHFFFAOYSA-N 1 1 312.417 2.377 50 10 DECAMO COCCn1cnnc1[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000952975847 792838376 /nfs/dbraw/zinc/83/83/76/792838376.db2.gz XURSWYODGBNGLO-CYBMUJFWSA-N 1 1 304.394 2.092 50 10 DECAMO Cc1cccc([C@@H](C(=O)NCc2ccc(O)cc2O)[NH+](C)C)c1 ZINC000095382728 402031044 /nfs/dbraw/zinc/03/10/44/402031044.db2.gz ZLPNTUWBOUAETE-KRWDZBQOSA-N 1 1 314.385 2.325 50 10 DECAMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000022853446 182337842 /nfs/dbraw/zinc/33/78/42/182337842.db2.gz LUNPGGYLJJSZJV-OAHLLOKOSA-N 1 1 310.825 2.342 50 10 DECAMO CCc1cccc(C[N@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)c1O ZINC000585091329 789694784 /nfs/dbraw/zinc/69/47/84/789694784.db2.gz LLYRMPCOOMGMSD-OAHLLOKOSA-N 1 1 316.405 2.135 50 10 DECAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2O)N3)C1 ZINC000004899105 181170481 /nfs/dbraw/zinc/17/04/81/181170481.db2.gz GOKCPNMELZKZBV-CQSZACIVSA-N 1 1 315.398 2.296 50 10 DECAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2O)N3)C1 ZINC000004899105 181170483 /nfs/dbraw/zinc/17/04/83/181170483.db2.gz GOKCPNMELZKZBV-CQSZACIVSA-N 1 1 315.398 2.296 50 10 DECAMO COC(=O)c1cc2ccccc2c(C[NH+]2CCOCC2)c1O ZINC000023701614 182367078 /nfs/dbraw/zinc/36/70/78/182367078.db2.gz VSGQCVFXLBSYHD-UHFFFAOYSA-N 1 1 301.342 2.164 50 10 DECAMO C[N@H+](Cc1ncc[nH]1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000065528468 402125853 /nfs/dbraw/zinc/12/58/53/402125853.db2.gz AOHRORQWFUGYMS-UHFFFAOYSA-N 1 1 314.389 2.239 50 10 DECAMO C[N@@H+](Cc1ncc[nH]1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000065528468 402125856 /nfs/dbraw/zinc/12/58/56/402125856.db2.gz AOHRORQWFUGYMS-UHFFFAOYSA-N 1 1 314.389 2.239 50 10 DECAMO COc1ccc(N2CCC([N@H+]3CCc4nc[nH]c4C3)CC2)cc1 ZINC000095363626 402028253 /nfs/dbraw/zinc/02/82/53/402028253.db2.gz CLUFBZHKEZUDSK-UHFFFAOYSA-N 1 1 312.417 2.445 50 10 DECAMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1C(C)C ZINC000027165313 401844024 /nfs/dbraw/zinc/84/40/24/401844024.db2.gz XLVUJEQMBRKVAJ-CQSZACIVSA-N 1 1 311.447 2.443 50 10 DECAMO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1C(C)C ZINC000027165313 401844027 /nfs/dbraw/zinc/84/40/27/401844027.db2.gz XLVUJEQMBRKVAJ-CQSZACIVSA-N 1 1 311.447 2.443 50 10 DECAMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000095974171 402039818 /nfs/dbraw/zinc/03/98/18/402039818.db2.gz MCJHFAFTCAKULH-QGZVFWFLSA-N 1 1 304.434 2.306 50 10 DECAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2O)N3)C1 ZINC000004899104 277187197 /nfs/dbraw/zinc/18/71/97/277187197.db2.gz GOKCPNMELZKZBV-AWEZNQCLSA-N 1 1 315.398 2.296 50 10 DECAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2O)N3)C1 ZINC000004899104 277187198 /nfs/dbraw/zinc/18/71/98/277187198.db2.gz GOKCPNMELZKZBV-AWEZNQCLSA-N 1 1 315.398 2.296 50 10 DECAMO