smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000090411943 185294972 /nfs/dbraw/zinc/29/49/72/185294972.db2.gz OYGUPNWEKKZFBD-GOEBONIOSA-N 1 0 318.465 2.597 20 10 DFCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000092456529 185319510 /nfs/dbraw/zinc/31/95/10/185319510.db2.gz RLQSYJHHDKQMOE-AWEZNQCLSA-N 1 0 307.390 2.566 20 10 DFCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092734345 185337055 /nfs/dbraw/zinc/33/70/55/185337055.db2.gz UMPSZPYTLJKQQH-AWEZNQCLSA-N 1 0 320.433 2.529 20 10 DFCDRO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)no1 ZINC000092814210 185343434 /nfs/dbraw/zinc/34/34/34/185343434.db2.gz UHMVEACRPHGBOL-AWEZNQCLSA-N 1 0 301.390 2.847 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000092075253 282289554 /nfs/dbraw/zinc/28/95/54/282289554.db2.gz GKZLLSSBTAZHQM-LJQANCHMSA-N 1 0 323.440 2.816 20 10 DFCDRO CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000283993581 535059156 /nfs/dbraw/zinc/05/91/56/535059156.db2.gz MYZMCLZWEUMBJI-RDJZCZTQSA-N 1 0 307.434 2.780 20 10 DFCDRO C[C@@H](O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000092969111 398610445 /nfs/dbraw/zinc/61/04/45/398610445.db2.gz FSGZGPFXFGVAPY-SNVBAGLBSA-N 1 0 314.223 2.748 20 10 DFCDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000093482001 398639677 /nfs/dbraw/zinc/63/96/77/398639677.db2.gz DNYULVDLLRUKEI-GWCFXTLKSA-N 1 0 314.223 2.890 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1O ZINC000079438491 399045253 /nfs/dbraw/zinc/04/52/53/399045253.db2.gz XMWPZNRZKMGPRS-LBPRGKRZSA-N 1 0 317.364 2.837 20 10 DFCDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)CS(=O)(=O)CC ZINC000093413921 193246721 /nfs/dbraw/zinc/24/67/21/193246721.db2.gz PXHQZLNALWILRX-AWEZNQCLSA-N 1 0 313.463 2.654 20 10 DFCDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@H](C)CS(=O)(=O)CC ZINC000093413922 193247516 /nfs/dbraw/zinc/24/75/16/193247516.db2.gz PXHQZLNALWILRX-CQSZACIVSA-N 1 0 313.463 2.654 20 10 DFCDRO COc1cccc(C[N@H+](C)[C@H](CCO)c2ccccc2)c1O ZINC000093442658 193252439 /nfs/dbraw/zinc/25/24/39/193252439.db2.gz CJIUORXWWIMDCH-MRXNPFEDSA-N 1 0 301.386 2.956 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000093455623 193254417 /nfs/dbraw/zinc/25/44/17/193254417.db2.gz MLCWVAQEHFKQCP-GOSISDBHSA-N 1 0 313.397 2.883 20 10 DFCDRO CCOCc1cc(C[NH2+]Cc2cnn(CC)c2)ccc1OC ZINC000020349207 182210295 /nfs/dbraw/zinc/21/02/95/182210295.db2.gz IUWMBJLARFDPPL-UHFFFAOYSA-N 1 0 303.406 2.738 20 10 DFCDRO COc1cccc([C@H](C[NH2+]Cc2ccccc2O)N(C)C)c1 ZINC000020543005 182229478 /nfs/dbraw/zinc/22/94/78/182229478.db2.gz XUWMHNYVYIRVMU-KRWDZBQOSA-N 1 0 300.402 2.793 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1O ZINC000272486500 130034586 /nfs/dbraw/zinc/03/45/86/130034586.db2.gz DBFGLTNYEJQKLT-WDEREUQCSA-N 1 0 314.223 2.666 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1O ZINC000272877001 130070647 /nfs/dbraw/zinc/07/06/47/130070647.db2.gz PTILTSHSPHQOMX-RHSMWYFYSA-N 1 0 310.397 2.844 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cc2c(cc1O)CCCC2 ZINC000273558486 130136584 /nfs/dbraw/zinc/13/65/84/130136584.db2.gz HLMANNACZNDTDH-NEPJUHHUSA-N 1 0 300.406 2.811 20 10 DFCDRO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273591859 130142292 /nfs/dbraw/zinc/14/22/92/130142292.db2.gz PIQMYVGMGJGUJM-OLZOCXBDSA-N 1 0 300.406 2.602 20 10 DFCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615823 130145587 /nfs/dbraw/zinc/14/55/87/130145587.db2.gz XJDYUUILLKJOBV-UWVGGRQHSA-N 1 0 304.350 2.754 20 10 DFCDRO Oc1cc(F)cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000274445382 130235537 /nfs/dbraw/zinc/23/55/37/130235537.db2.gz PSFJHKVRKLVWSN-UHFFFAOYSA-N 1 0 316.376 2.658 20 10 DFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000274635095 130251090 /nfs/dbraw/zinc/25/10/90/130251090.db2.gz DBORPMRYTPSJCX-GFCCVEGCSA-N 1 0 309.429 2.675 20 10 DFCDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3O)CC2)n[nH]1 ZINC000275835276 130394897 /nfs/dbraw/zinc/39/48/97/130394897.db2.gz GEOTXYCPDLPSHC-LBPRGKRZSA-N 1 0 318.396 2.882 20 10 DFCDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000280984648 130830339 /nfs/dbraw/zinc/83/03/39/130830339.db2.gz MHOOSHLALKBBBU-GOEBONIOSA-N 1 0 303.450 2.662 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(N(C)C)cc1 ZINC000283446556 130993122 /nfs/dbraw/zinc/99/31/22/130993122.db2.gz UHYSGCCCZHXIPK-CZUORRHYSA-N 1 0 301.434 2.605 20 10 DFCDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000283840990 131027841 /nfs/dbraw/zinc/02/78/41/131027841.db2.gz BQPVMJDLIAZDGC-MRXNPFEDSA-N 1 0 304.434 2.890 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1OC ZINC000283864066 131029685 /nfs/dbraw/zinc/02/96/85/131029685.db2.gz CISULMXAGGOGIX-UKRRQHHQSA-N 1 0 307.390 2.553 20 10 DFCDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cccc(C)c1O ZINC000284798149 131111625 /nfs/dbraw/zinc/11/16/25/131111625.db2.gz ZSZIURNVKHPTCX-IXDOHACOSA-N 1 0 305.418 2.717 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(N3CCOCC3)CC2)c(O)c1 ZINC000285023705 131131402 /nfs/dbraw/zinc/13/14/02/131131402.db2.gz HMJMWWKYXFDLFN-HNNXBMFYSA-N 1 0 304.434 2.524 20 10 DFCDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000285182162 131145695 /nfs/dbraw/zinc/14/56/95/131145695.db2.gz QFHGJXZERNWETM-OAHLLOKOSA-N 1 0 321.440 2.772 20 10 DFCDRO COC(=O)[C@]12C[N@H+](Cc3cccc(OC)c3O)C[C@H]1CCCC2 ZINC000285198686 131146561 /nfs/dbraw/zinc/14/65/61/131146561.db2.gz QTTVENYIOBSBCY-RDTXWAMCSA-N 1 0 319.401 2.566 20 10 DFCDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccccc1O ZINC000285698710 131193994 /nfs/dbraw/zinc/19/39/94/131193994.db2.gz OTIZIJVHHBGLFK-CQSZACIVSA-N 1 0 311.447 2.790 20 10 DFCDRO CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(F)cc1[O-] ZINC000285848874 131205113 /nfs/dbraw/zinc/20/51/13/131205113.db2.gz XUYBYUYWJFGEDS-KRWDZBQOSA-N 1 0 323.456 2.600 20 10 DFCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000286342591 131231220 /nfs/dbraw/zinc/23/12/20/131231220.db2.gz GOFKOEDUXHLKEO-KRWDZBQOSA-N 1 0 303.450 2.633 20 10 DFCDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(F)cc(C(C)=O)c4O)[C@H]1[C@H]3C2 ZINC000286422985 131235508 /nfs/dbraw/zinc/23/55/08/131235508.db2.gz IMVLYEXHPXHBCR-DOGAXHHXSA-N 1 0 319.376 2.589 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000287214192 131269292 /nfs/dbraw/zinc/26/92/92/131269292.db2.gz XBTHMVTZRKCNMW-WDEREUQCSA-N 1 0 317.838 2.521 20 10 DFCDRO Oc1ccccc1C[N@H+](CCOC1CCC1)C[C@H]1CCCO1 ZINC000287958696 131308392 /nfs/dbraw/zinc/30/83/92/131308392.db2.gz YNQNSIYMIFMDDE-QGZVFWFLSA-N 1 0 305.418 2.942 20 10 DFCDRO COc1cccc(CN2CCCC[C@H]2c2nc(C)no2)c1O ZINC000289138594 131361504 /nfs/dbraw/zinc/36/15/04/131361504.db2.gz ABVICNGXWYJEIW-ZDUSSCGKSA-N 1 0 303.362 2.819 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000289181643 131364154 /nfs/dbraw/zinc/36/41/54/131364154.db2.gz AOLCLSFIMWPEJL-ZDUSSCGKSA-N 1 0 321.417 2.955 20 10 DFCDRO CN(C)c1ccc(C[NH2+]Cc2cnc(C3OCCO3)s2)cc1 ZINC000289309960 131372737 /nfs/dbraw/zinc/37/27/37/131372737.db2.gz RYZNWIAHPSUOMB-UHFFFAOYSA-N 1 0 319.430 2.544 20 10 DFCDRO CN(C)c1ccc(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000289329268 131374579 /nfs/dbraw/zinc/37/45/79/131374579.db2.gz HLSUTAFIOUDLPS-GOSISDBHSA-N 1 0 321.440 2.581 20 10 DFCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000289569947 131396888 /nfs/dbraw/zinc/39/68/88/131396888.db2.gz SKPDXKSPQMBSMB-AWEZNQCLSA-N 1 0 322.405 2.501 20 10 DFCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000289569948 131397070 /nfs/dbraw/zinc/39/70/70/131397070.db2.gz SKPDXKSPQMBSMB-CQSZACIVSA-N 1 0 322.405 2.501 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)NCCCCC[NH+]1CCCC1 ZINC000297170012 132002610 /nfs/dbraw/zinc/00/26/10/132002610.db2.gz ARIQMQXJUZCNLB-UHFFFAOYSA-N 1 0 319.449 2.800 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]CC1(N3CCCC3)CCOCC1)CC2 ZINC000297913777 132039695 /nfs/dbraw/zinc/03/96/95/132039695.db2.gz WSPGSMZHLROQKC-INIZCTEOSA-N 1 0 316.445 2.614 20 10 DFCDRO CC[N@H+](Cc1cn2cccnc2n1)Cc1ccc(N(C)C)cc1 ZINC000298161203 132048936 /nfs/dbraw/zinc/04/89/36/132048936.db2.gz IMJTXKPZETZDKT-UHFFFAOYSA-N 1 0 309.417 2.817 20 10 DFCDRO CCOCc1cc(C[NH2+]CCCn2ccnc2C)ccc1OC ZINC000299461421 132106381 /nfs/dbraw/zinc/10/63/81/132106381.db2.gz DQNRHRLJYZVPDP-UHFFFAOYSA-N 1 0 317.433 2.917 20 10 DFCDRO C[N@H+](CCCNC(=O)NCc1ccccc1O)C1CCCCC1 ZINC000299532836 132109971 /nfs/dbraw/zinc/10/99/71/132109971.db2.gz STCVWVYQDDNIOU-UHFFFAOYSA-N 1 0 319.449 2.846 20 10 DFCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000219903172 542878850 /nfs/dbraw/zinc/87/88/50/542878850.db2.gz GXPPUODRLBCHTK-CABZTGNLSA-N 1 0 300.196 2.812 20 10 DFCDRO OC[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)C[C@@H]1c1ccccc1 ZINC000289934740 335067194 /nfs/dbraw/zinc/06/71/94/335067194.db2.gz TYTNLEPKENAKCI-UYAOXDASSA-N 1 0 309.409 2.877 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@H](C(C)C)C2(CO)CCC2)cc1OC ZINC000292747687 543016609 /nfs/dbraw/zinc/01/66/09/543016609.db2.gz IDAYJMVTHWAORM-QGZVFWFLSA-N 1 0 323.433 2.686 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000092076070 292164606 /nfs/dbraw/zinc/16/46/06/292164606.db2.gz QOOQKYYOIHDNJM-QGZVFWFLSA-N 1 0 310.397 2.764 20 10 DFCDRO COc1cc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000277194083 286248441 /nfs/dbraw/zinc/24/84/41/286248441.db2.gz PAFYEGGIZQPEQF-LBPRGKRZSA-N 1 0 323.393 2.533 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c(O)c1C ZINC000297381481 227091912 /nfs/dbraw/zinc/09/19/12/227091912.db2.gz RCKYRDFVGRNRJR-HOTGVXAUSA-N 1 0 306.450 2.506 20 10 DFCDRO Cc1ncsc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000071212612 425983140 /nfs/dbraw/zinc/98/31/40/425983140.db2.gz SOTPXRRUCLTFFN-UHFFFAOYSA-N 1 0 303.431 2.578 20 10 DFCDRO CCN1CCC([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000159289888 425957307 /nfs/dbraw/zinc/95/73/07/425957307.db2.gz SVRQMBOCHDXGMY-UHFFFAOYSA-N 1 0 317.477 2.738 20 10 DFCDRO COc1cccc(C[NH2+]CCn2c(C)nc3ccccc32)c1O ZINC000074336825 426046833 /nfs/dbraw/zinc/04/68/33/426046833.db2.gz CYBCDUHTTUABDO-UHFFFAOYSA-N 1 0 311.385 2.849 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000108453873 426016924 /nfs/dbraw/zinc/01/69/24/426016924.db2.gz NYJRVDHWTVUVEQ-GOSISDBHSA-N 1 0 315.461 2.633 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000167859366 426133078 /nfs/dbraw/zinc/13/30/78/426133078.db2.gz NJPDFCGWAQGWGL-IRXDYDNUSA-N 1 0 315.461 2.667 20 10 DFCDRO C[N@H+](CC(=O)N1CCCc2ccccc21)Cc1ccccc1O ZINC000171646567 426202222 /nfs/dbraw/zinc/20/22/22/426202222.db2.gz XFVGTHHGOLEYAC-UHFFFAOYSA-N 1 0 310.397 2.803 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1F ZINC000131336629 426164706 /nfs/dbraw/zinc/16/47/06/426164706.db2.gz ODVRWUPMEISDFO-INIZCTEOSA-N 1 0 315.392 2.940 20 10 DFCDRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000171415024 426189762 /nfs/dbraw/zinc/18/97/62/426189762.db2.gz QBZGMDHTYLTUDC-WMLDXEAASA-N 1 0 303.450 2.537 20 10 DFCDRO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)on1 ZINC000171934500 426219075 /nfs/dbraw/zinc/21/90/75/426219075.db2.gz OYVDTGRHUHVIGF-OAHLLOKOSA-N 1 0 302.374 2.870 20 10 DFCDRO Cc1cc(O)c(CN2CC[NH+](CC3CCOCC3)CC2)cc1C ZINC000172407491 426226054 /nfs/dbraw/zinc/22/60/54/426226054.db2.gz SRLFSRWMFLUSJR-UHFFFAOYSA-N 1 0 318.461 2.553 20 10 DFCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172798530 426231679 /nfs/dbraw/zinc/23/16/79/426231679.db2.gz ULVLFHCWAQTKIC-INIZCTEOSA-N 1 0 312.369 2.849 20 10 DFCDRO c1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc2c1OCC2 ZINC000151385104 426292815 /nfs/dbraw/zinc/29/28/15/426292815.db2.gz RABURFXHRCHHPW-WBVHZDCISA-N 1 0 305.443 2.766 20 10 DFCDRO Oc1cccc(Cl)c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000120309753 426309738 /nfs/dbraw/zinc/30/97/38/426309738.db2.gz LAKWITSSDZLNSO-UHFFFAOYSA-N 1 0 318.808 2.912 20 10 DFCDRO CC[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccccc1O ZINC000121106376 426321620 /nfs/dbraw/zinc/32/16/20/426321620.db2.gz VFFIGCZWVHNADD-QGZVFWFLSA-N 1 0 312.413 2.792 20 10 DFCDRO COC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000090718059 426330707 /nfs/dbraw/zinc/33/07/07/426330707.db2.gz AMAMPLVOJIRSRH-DYVFJYSZSA-N 1 0 322.424 2.738 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cncs1 ZINC000151062554 426275341 /nfs/dbraw/zinc/27/53/41/426275341.db2.gz DMFPGTDFGGQLFR-CYBMUJFWSA-N 1 0 303.431 2.831 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCN2CCOCC2)cc1 ZINC000151175814 426281957 /nfs/dbraw/zinc/28/19/57/426281957.db2.gz NHXCSLAYSHZOBL-MRXNPFEDSA-N 1 0 305.466 2.516 20 10 DFCDRO C[NH2+]CCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000121438910 426342362 /nfs/dbraw/zinc/34/23/62/426342362.db2.gz PUCBYPVNIOLWGC-UHFFFAOYSA-N 1 0 303.381 2.573 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(O)c1 ZINC000091927918 426345227 /nfs/dbraw/zinc/34/52/27/426345227.db2.gz YYUTVSIOUWCEPO-ZWKOTPCHSA-N 1 0 321.417 2.561 20 10 DFCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(C)c(C)cc1O)CC2 ZINC000093613591 426358475 /nfs/dbraw/zinc/35/84/75/426358475.db2.gz IHCXDCVTWDUKNK-QZTJIDSGSA-N 1 0 319.445 2.761 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CCS[C@@H]3CCCC[C@@H]31)OCO2 ZINC000176828684 426418444 /nfs/dbraw/zinc/41/84/44/426418444.db2.gz SNTOVOZJLJFOFC-BLLLJJGKSA-N 1 0 307.415 2.981 20 10 DFCDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000176986078 426431246 /nfs/dbraw/zinc/43/12/46/426431246.db2.gz OXUKXSPSUZFKDL-ZDUSSCGKSA-N 1 0 316.376 2.920 20 10 DFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1C ZINC000101904774 426486941 /nfs/dbraw/zinc/48/69/41/426486941.db2.gz MMOUFUFKDJMNPD-INIZCTEOSA-N 1 0 318.461 2.993 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(C)cc1O ZINC000280146915 426506444 /nfs/dbraw/zinc/50/64/44/426506444.db2.gz PYDWLSACSHCOPN-GDBMZVCRSA-N 1 0 321.417 2.663 20 10 DFCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1O ZINC000280304280 426545229 /nfs/dbraw/zinc/54/52/29/426545229.db2.gz PBVJMKZYUQLSAO-BLLLJJGKSA-N 1 0 311.809 2.734 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@H](CO)C(C)(C)C)c1O ZINC000194636600 426489097 /nfs/dbraw/zinc/48/90/97/426489097.db2.gz GTJRSOAQQONKAZ-GFCCVEGCSA-N 1 0 316.239 2.960 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 ZINC000186171378 426490715 /nfs/dbraw/zinc/49/07/15/426490715.db2.gz PFVOJQHPSMXQLV-ZIAGYGMSSA-N 1 0 313.401 2.725 20 10 DFCDRO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)CC2 ZINC000186294174 426500796 /nfs/dbraw/zinc/50/07/96/426500796.db2.gz ILKJCEMGFXFQFV-YPMHNXCESA-N 1 0 318.396 2.912 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000280434135 426575844 /nfs/dbraw/zinc/57/58/44/426575844.db2.gz JVGJFYGRTNNLKJ-CQSZACIVSA-N 1 0 321.417 2.561 20 10 DFCDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000224065944 426590922 /nfs/dbraw/zinc/59/09/22/426590922.db2.gz HFFMYSQIBUXALW-AWEZNQCLSA-N 1 0 306.406 2.881 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)cc1 ZINC000280557922 426601124 /nfs/dbraw/zinc/60/11/24/426601124.db2.gz QZSJALLPGAWBLF-SFHVURJKSA-N 1 0 311.429 2.801 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1O ZINC000228671297 426634359 /nfs/dbraw/zinc/63/43/59/426634359.db2.gz RAQIGRAVDJRHKH-KBPBESRZSA-N 1 0 310.825 2.771 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)cc1 ZINC000178489181 426638279 /nfs/dbraw/zinc/63/82/79/426638279.db2.gz VMVBOZVXFOEBPY-CQSZACIVSA-N 1 0 315.417 2.816 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(O)CC2)c1[O-] ZINC000230359480 426648513 /nfs/dbraw/zinc/64/85/13/426648513.db2.gz XHKBUMDXBLXTSE-INIZCTEOSA-N 1 0 311.809 2.985 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1O ZINC000289664534 426670477 /nfs/dbraw/zinc/67/04/77/426670477.db2.gz DBAQRMFJAHTAOD-HNNXBMFYSA-N 1 0 321.804 2.747 20 10 DFCDRO CCOc1ccc(O)c(C[N@H+](CCOC)Cc2ccccn2)c1 ZINC000289764674 426672098 /nfs/dbraw/zinc/67/20/98/426672098.db2.gz KDDGIFHXMCDUDR-UHFFFAOYSA-N 1 0 316.401 2.835 20 10 DFCDRO CCOc1ccc(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000289737835 426672399 /nfs/dbraw/zinc/67/23/99/426672399.db2.gz PZYWPHRVYBKWDK-GOEBONIOSA-N 1 0 304.434 2.850 20 10 DFCDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1cc(Br)ccc1O ZINC000289906445 426676504 /nfs/dbraw/zinc/67/65/04/426676504.db2.gz UEXHENROLKHUSV-VIFPVBQESA-N 1 0 310.195 2.771 20 10 DFCDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1cc(Br)ccc1O ZINC000289906444 426677300 /nfs/dbraw/zinc/67/73/00/426677300.db2.gz UEXHENROLKHUSV-SECBINFHSA-N 1 0 310.195 2.771 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000289923553 426677859 /nfs/dbraw/zinc/67/78/59/426677859.db2.gz XQNDJYCIPHMZSX-CQSZACIVSA-N 1 0 303.324 2.980 20 10 DFCDRO COc1cccc(C[NH2+][C@H](CN(C)C)c2ccccc2)c1O ZINC000237237082 426689435 /nfs/dbraw/zinc/68/94/35/426689435.db2.gz HDCCECQALCRSAX-MRXNPFEDSA-N 1 0 300.402 2.793 20 10 DFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1C ZINC000237320223 426691246 /nfs/dbraw/zinc/69/12/46/426691246.db2.gz ISKIBAIMYFGAOH-UHFFFAOYSA-N 1 0 304.434 2.740 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000290161399 426706394 /nfs/dbraw/zinc/70/63/94/426706394.db2.gz LXKQEWJLMLORBZ-SGTLLEGYSA-N 1 0 317.385 2.621 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCOC2)c1O ZINC000290207759 426718224 /nfs/dbraw/zinc/71/82/24/426718224.db2.gz QFMSZLDUFDHLSM-GFCCVEGCSA-N 1 0 300.196 2.732 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC)c1O ZINC000290225376 426720649 /nfs/dbraw/zinc/72/06/49/426720649.db2.gz SGZYLPWUJNVIQJ-AWEZNQCLSA-N 1 0 322.405 2.501 20 10 DFCDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273589331 426692495 /nfs/dbraw/zinc/69/24/95/426692495.db2.gz OTADFUXCNDAENL-POJUEXTFSA-N 1 0 314.341 2.609 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cc1F ZINC000187830516 426697461 /nfs/dbraw/zinc/69/74/61/426697461.db2.gz ZSXMXRRUDWXFDT-ZSEKCTLFSA-N 1 0 314.470 2.871 20 10 DFCDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000178961606 426726714 /nfs/dbraw/zinc/72/67/14/426726714.db2.gz XFRANQNNDUWDGZ-MRXNPFEDSA-N 1 0 311.429 2.776 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000290368240 426751166 /nfs/dbraw/zinc/75/11/66/426751166.db2.gz HGJYHJOMTNIXQX-KRWDZBQOSA-N 1 0 318.392 2.932 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281764731 426761809 /nfs/dbraw/zinc/76/18/09/426761809.db2.gz LSWZSKQTDORETA-JKSUJKDBSA-N 1 0 305.324 2.978 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000281772240 426762805 /nfs/dbraw/zinc/76/28/05/426762805.db2.gz JSARUDWTEIDHHL-LJQANCHMSA-N 1 0 301.839 2.745 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)c1 ZINC000179670925 426813070 /nfs/dbraw/zinc/81/30/70/426813070.db2.gz WWTSMISAFOFKQC-OLZOCXBDSA-N 1 0 303.406 2.893 20 10 DFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(c3nncn3C)CC2)c1O ZINC000179753609 426816124 /nfs/dbraw/zinc/81/61/24/426816124.db2.gz WDCQRDQQBVQIGB-UHFFFAOYSA-N 1 0 320.824 2.862 20 10 DFCDRO COc1cc(O)c(C[NH2+]CCSC(F)(F)F)cc1OC ZINC000179786927 426818845 /nfs/dbraw/zinc/81/88/45/426818845.db2.gz QYHJYZFKKWNXDR-UHFFFAOYSA-N 1 0 311.325 2.752 20 10 DFCDRO CC[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1ccc(N(C)C)cc1 ZINC000282780535 426926423 /nfs/dbraw/zinc/92/64/23/426926423.db2.gz PMKFCEBWQYMDAD-GOSISDBHSA-N 1 0 316.449 2.836 20 10 DFCDRO CC(C)COCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000282765759 426923804 /nfs/dbraw/zinc/92/38/04/426923804.db2.gz ULRWRZGBNXEIMT-UHFFFAOYSA-N 1 0 306.450 2.628 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000290968235 426872881 /nfs/dbraw/zinc/87/28/81/426872881.db2.gz SFWXLMBZPBLAID-ZDUSSCGKSA-N 1 0 307.781 2.698 20 10 DFCDRO COc1cccc(C[NH2+][C@]2(CO)CCCc3ccccc32)c1O ZINC000282410510 426904698 /nfs/dbraw/zinc/90/46/98/426904698.db2.gz QEWNQTXEPKDDEH-IBGZPJMESA-N 1 0 313.397 2.715 20 10 DFCDRO CCCC[N@H+](CC(=O)Nc1cc(C)on1)Cc1ccccc1O ZINC000282426458 426909372 /nfs/dbraw/zinc/90/93/72/426909372.db2.gz JTFMDCHINUPYQE-UHFFFAOYSA-N 1 0 317.389 2.929 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000316320427 426946911 /nfs/dbraw/zinc/94/69/11/426946911.db2.gz YZAKPLSZUWLZKC-ZDUSSCGKSA-N 1 0 300.406 2.869 20 10 DFCDRO CCCc1nc(C)c(C[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000291731766 426967022 /nfs/dbraw/zinc/96/70/22/426967022.db2.gz NWWNCNSSVVULEI-UHFFFAOYSA-N 1 0 304.346 2.660 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1 ZINC000282954397 426935046 /nfs/dbraw/zinc/93/50/46/426935046.db2.gz CEQHMNAQVMZYNG-MPGHIAIKSA-N 1 0 319.445 2.919 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc(F)ccc1O ZINC000282957848 426935303 /nfs/dbraw/zinc/93/53/03/426935303.db2.gz CIIZDWBBGDKVHB-AHIWAGSCSA-N 1 0 323.408 2.750 20 10 DFCDRO O=C1[C@@H]([NH2+]Cc2ccccc2O)CCCN1C1CCCCC1 ZINC000276218261 427011682 /nfs/dbraw/zinc/01/16/82/427011682.db2.gz PZLXQXJCYDFCCJ-INIZCTEOSA-N 1 0 302.418 2.806 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]CCc1nnc3n1CCCCC3)CC2 ZINC000295933622 427020417 /nfs/dbraw/zinc/02/04/17/427020417.db2.gz KMHBCKKMJHIWFA-CQSZACIVSA-N 1 0 312.417 2.530 20 10 DFCDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268720450 427102930 /nfs/dbraw/zinc/10/29/30/427102930.db2.gz KNTHWLYJIDDBAD-UONOGXRCSA-N 1 0 321.440 2.991 20 10 DFCDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1O ZINC000268807463 427121563 /nfs/dbraw/zinc/12/15/63/427121563.db2.gz GDMUMDSUXSMVFR-JTQLQIEISA-N 1 0 310.195 2.530 20 10 DFCDRO COc1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)cc1C ZINC000277006176 427131859 /nfs/dbraw/zinc/13/18/59/427131859.db2.gz KPBKERHACILGSW-UHFFFAOYSA-N 1 0 312.417 2.552 20 10 DFCDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268925610 427139199 /nfs/dbraw/zinc/13/91/99/427139199.db2.gz XXGGPNJUTNCDHD-KDOFPFPSSA-N 1 0 324.440 2.864 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCN(CCOC)C1)c1ccc(N(C)C)cc1 ZINC000268941350 427139428 /nfs/dbraw/zinc/13/94/28/427139428.db2.gz STMCDHDRTLZLCZ-FUHWJXTLSA-N 1 0 305.466 2.514 20 10 DFCDRO C[N@H+](CCc1cscn1)Cc1ccc(N2CCOCC2)cc1 ZINC000296300883 427142843 /nfs/dbraw/zinc/14/28/43/427142843.db2.gz IKJBLRBEBGNZQJ-UHFFFAOYSA-N 1 0 317.458 2.654 20 10 DFCDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000269007358 427146636 /nfs/dbraw/zinc/14/66/36/427146636.db2.gz LPQFSQBIMWEBBQ-ZBFHGGJFSA-N 1 0 324.440 2.864 20 10 DFCDRO CCCOc1ccc(C[NH2+]Cc2cnccc2OC)c(O)c1 ZINC000292629227 427195227 /nfs/dbraw/zinc/19/52/27/427195227.db2.gz JJRRUWRPZLBBAF-UHFFFAOYSA-N 1 0 302.374 2.874 20 10 DFCDRO C[C@H]([NH2+][C@@H](c1nccn1C)C1CCOCC1)c1ccccc1O ZINC000284759805 427197566 /nfs/dbraw/zinc/19/75/66/427197566.db2.gz GQQYNDRWJUJFIR-SUMWQHHRSA-N 1 0 315.417 2.944 20 10 DFCDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccccc1O ZINC000296533372 427213189 /nfs/dbraw/zinc/21/31/89/427213189.db2.gz AMAVGJVLEWSWGM-INIZCTEOSA-N 1 0 319.449 2.702 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)OC[C@H]3C)cc2)CC1 ZINC000296661481 427231182 /nfs/dbraw/zinc/23/11/82/427231182.db2.gz YMPJPWMTJSUIAV-CVEARBPZSA-N 1 0 318.461 2.911 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1O ZINC000183348952 427251085 /nfs/dbraw/zinc/25/10/85/427251085.db2.gz YRSALZLVDIKMKP-VXGBXAGGSA-N 1 0 316.323 2.596 20 10 DFCDRO COC(=O)[C@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(OC)ccc1O ZINC000183386939 427260196 /nfs/dbraw/zinc/26/01/96/427260196.db2.gz YGNJPCITBDESDA-DAXOMENPSA-N 1 0 319.401 2.707 20 10 DFCDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1O ZINC000183505483 427281821 /nfs/dbraw/zinc/28/18/21/427281821.db2.gz XWSPJOIJJGJACP-RHSMWYFYSA-N 1 0 312.413 2.742 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000270316086 427320500 /nfs/dbraw/zinc/32/05/00/427320500.db2.gz HDWYGZZCEIUQML-MRXNPFEDSA-N 1 0 303.450 2.539 20 10 DFCDRO CC[C@@H](C)C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183696121 427322119 /nfs/dbraw/zinc/32/21/19/427322119.db2.gz FMKAYPHYMCAZRG-CQSZACIVSA-N 1 0 322.449 2.881 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2ccncc2)cc1OC ZINC000183706878 427325740 /nfs/dbraw/zinc/32/57/40/427325740.db2.gz HDBCZMWVSVILQX-LBPRGKRZSA-N 1 0 302.374 2.997 20 10 DFCDRO Cc1cc(C[NH+]2CCN(Cc3ccccn3)CC2)ccc1N(C)C ZINC000293522656 427351955 /nfs/dbraw/zinc/35/19/55/427351955.db2.gz OYAHCTNDQOOALL-UHFFFAOYSA-N 1 0 324.472 2.774 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCCC3(CCOCC3)C2)cc1OC ZINC000271109765 427406262 /nfs/dbraw/zinc/40/62/62/427406262.db2.gz TXQSSYPPORDNFL-UHFFFAOYSA-N 1 0 321.417 2.802 20 10 DFCDRO COCC1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCOCC1 ZINC000293709959 427411689 /nfs/dbraw/zinc/41/16/89/427411689.db2.gz OWPBBSZFVXYPPT-OAHLLOKOSA-N 1 0 306.450 2.846 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278131100 427412516 /nfs/dbraw/zinc/41/25/16/427412516.db2.gz CFGLDQPNGJKEDF-OCCSQVGLSA-N 1 0 303.324 2.836 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)[C@@H](O)C(F)(F)F)c1 ZINC000270972501 427368491 /nfs/dbraw/zinc/36/84/91/427368491.db2.gz JRXYRPPAGRVTOS-WCQYABFASA-N 1 0 307.312 2.582 20 10 DFCDRO CCOc1ccc(O)c(CN(C)Cc2nc([C@@H](C)OC)no2)c1 ZINC000271210161 427454437 /nfs/dbraw/zinc/45/44/37/427454437.db2.gz LJDMLLKTDFVCRV-LLVKDONJSA-N 1 0 321.377 2.513 20 10 DFCDRO CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000278806012 427461897 /nfs/dbraw/zinc/46/18/97/427461897.db2.gz NENMRTLOOGCHJP-KSZLIROESA-N 1 0 306.450 2.987 20 10 DFCDRO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859542 427466260 /nfs/dbraw/zinc/46/62/60/427466260.db2.gz IFLIOMKNDVWNGD-HZMBPMFUSA-N 1 0 300.805 2.957 20 10 DFCDRO CCCN(Cc1ccccc1O)[C@H](C)c1nnnn1C1CC1 ZINC000192049447 427471488 /nfs/dbraw/zinc/47/14/88/427471488.db2.gz MAHUZFKLKODOEL-GFCCVEGCSA-N 1 0 301.394 2.687 20 10 DFCDRO Cc1cc(O)c(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1C ZINC000278222556 427423151 /nfs/dbraw/zinc/42/31/51/427423151.db2.gz IRMUVDMRJWHVKP-INIZCTEOSA-N 1 0 318.461 2.694 20 10 DFCDRO COc1c(O)c(CN2CCOC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000278178676 427425572 /nfs/dbraw/zinc/42/55/72/427425572.db2.gz GRMXDNULPHUAKG-CYBMUJFWSA-N 1 0 324.377 2.556 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC000271167584 427428567 /nfs/dbraw/zinc/42/85/67/427428567.db2.gz SYRXYAYDHXTGFS-HNNXBMFYSA-N 1 0 304.434 2.827 20 10 DFCDRO COc1c([O-])c(C[NH2+]CCCCOC(C)C)ccc1[N+](=O)[O-] ZINC000278480123 427441708 /nfs/dbraw/zinc/44/17/08/427441708.db2.gz JDPXQLUCLANASK-UHFFFAOYSA-N 1 0 312.366 2.604 20 10 DFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000278673348 427446553 /nfs/dbraw/zinc/44/65/53/427446553.db2.gz OIZIOGTZALTSKK-OALUTQOASA-N 1 0 318.461 2.961 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)c(O)c1 ZINC000279054071 427546131 /nfs/dbraw/zinc/54/61/31/427546131.db2.gz YGZSNSUSNHYBAU-QWQRMKEZSA-N 1 0 315.417 2.863 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]Cc2cn3c(n2)CCCC3)c1 ZINC000263714118 427549650 /nfs/dbraw/zinc/54/96/50/427549650.db2.gz AGSMRXZLSHUARC-UHFFFAOYSA-N 1 0 301.390 2.614 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000192815774 427614100 /nfs/dbraw/zinc/61/41/00/427614100.db2.gz SUGRXFXDRXEEGE-LSDHHAIUSA-N 1 0 312.417 2.810 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCCn2nc(COC)nc21)c1ccccc1O ZINC000185213969 427614229 /nfs/dbraw/zinc/61/42/29/427614229.db2.gz JMSIOXGRLOTETO-KBPBESRZSA-N 1 0 316.405 2.706 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC000263753229 427557020 /nfs/dbraw/zinc/55/70/20/427557020.db2.gz GYPPKQSIZQZYEK-UHFFFAOYSA-N 1 0 305.466 2.689 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c(O)c1 ZINC000184915710 427563024 /nfs/dbraw/zinc/56/30/24/427563024.db2.gz UHHPVVSSJPVAIB-NVXWUHKLSA-N 1 0 306.450 2.708 20 10 DFCDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cn1 ZINC000279126072 427567503 /nfs/dbraw/zinc/56/75/03/427567503.db2.gz QOILINRCOFPWIB-JTQLQIEISA-N 1 0 303.337 2.736 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc2c(cc1O)CCCC2 ZINC000184982296 427572025 /nfs/dbraw/zinc/57/20/25/427572025.db2.gz SIUMLFOMODFIBR-WBMJQRKESA-N 1 0 302.418 2.590 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc2c(cc1O)CCCC2 ZINC000184982238 427573259 /nfs/dbraw/zinc/57/32/59/427573259.db2.gz SIUMLFOMODFIBR-BLLLJJGKSA-N 1 0 302.418 2.590 20 10 DFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cn[nH]c1 ZINC000271537161 427574228 /nfs/dbraw/zinc/57/42/28/427574228.db2.gz QJPLXWNDCAEKFT-STQMWFEESA-N 1 0 318.396 2.797 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)C[C@@H]1O ZINC000271776687 427585364 /nfs/dbraw/zinc/58/53/64/427585364.db2.gz DKVDWOFRNQQHRF-GWCFXTLKSA-N 1 0 314.223 2.666 20 10 DFCDRO Cc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1O ZINC000271919759 427597931 /nfs/dbraw/zinc/59/79/31/427597931.db2.gz RRXMDODDJXQBBH-OAHLLOKOSA-N 1 0 303.377 2.781 20 10 DFCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185130043 427599427 /nfs/dbraw/zinc/59/94/27/427599427.db2.gz RURUMGGFNBJRAJ-ZFWWWQNUSA-N 1 0 319.376 2.930 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185165333 427604766 /nfs/dbraw/zinc/60/47/66/427604766.db2.gz AWPCXPJRPGMJCC-UHFFFAOYSA-N 1 0 319.449 2.656 20 10 DFCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)CC2 ZINC000185317301 427634092 /nfs/dbraw/zinc/63/40/92/427634092.db2.gz DDHNAHVUHRPPPR-CABZTGNLSA-N 1 0 306.797 2.611 20 10 DFCDRO COCCCN1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185314625 427634270 /nfs/dbraw/zinc/63/42/70/427634270.db2.gz UGAGARAUJGLOQN-HNNXBMFYSA-N 1 0 306.450 2.852 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1cc(Br)ccc1O ZINC000185386421 427642618 /nfs/dbraw/zinc/64/26/18/427642618.db2.gz XPXYFYRPRNFAGM-KOLCDFICSA-N 1 0 300.196 2.984 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1cc(Br)ccc1O ZINC000185386362 427643287 /nfs/dbraw/zinc/64/32/87/427643287.db2.gz XPXYFYRPRNFAGM-GXSJLCMTSA-N 1 0 300.196 2.984 20 10 DFCDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185389000 427645115 /nfs/dbraw/zinc/64/51/15/427645115.db2.gz BYRJZESWGYLXFO-ZANVPECISA-N 1 0 302.212 2.966 20 10 DFCDRO Cc1ccccc1[C@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000294646407 427649088 /nfs/dbraw/zinc/64/90/88/427649088.db2.gz BPAUHQUXQBEASG-SFHVURJKSA-N 1 0 311.429 2.719 20 10 DFCDRO CC1(C)OCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000294706869 427649632 /nfs/dbraw/zinc/64/96/32/427649632.db2.gz DKNAFPOMQDETIW-GFCCVEGCSA-N 1 0 300.196 2.812 20 10 DFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000294896343 427666125 /nfs/dbraw/zinc/66/61/25/427666125.db2.gz DIZAGGRGHVYXDZ-IBGZPJMESA-N 1 0 318.461 2.816 20 10 DFCDRO Cc1nocc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000294804902 427660166 /nfs/dbraw/zinc/66/01/66/427660166.db2.gz DPFQTQWYWADIBK-INIZCTEOSA-N 1 0 302.374 2.870 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000295000106 427669269 /nfs/dbraw/zinc/66/92/69/427669269.db2.gz LFVZQGMFHXOHHN-MAUKXSAKSA-N 1 0 314.385 2.806 20 10 DFCDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cc(Br)ccc1O ZINC000295136119 427708941 /nfs/dbraw/zinc/70/89/41/427708941.db2.gz YUEBQKDHRDYWLI-VIFPVBQESA-N 1 0 302.212 2.794 20 10 DFCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC2(CCOCC2)O1 ZINC000279684990 427715755 /nfs/dbraw/zinc/71/57/55/427715755.db2.gz FQQQAZNGPBHJQE-HNNXBMFYSA-N 1 0 304.434 2.523 20 10 DFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000279821291 427718489 /nfs/dbraw/zinc/71/84/89/427718489.db2.gz GHSFLDFOBZELSI-NOLJZWGESA-N 1 0 322.424 2.959 20 10 DFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2F)CC1 ZINC000194265139 427737124 /nfs/dbraw/zinc/73/71/24/427737124.db2.gz UOFXDCGQKNSFNQ-INIZCTEOSA-N 1 0 320.408 2.569 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc2c(cc1O)CCCC2 ZINC000185994184 427739364 /nfs/dbraw/zinc/73/93/64/427739364.db2.gz HAGDACWQMRWJPI-DOMZBBRYSA-N 1 0 312.417 2.528 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)c1O ZINC000369540904 427995588 /nfs/dbraw/zinc/99/55/88/427995588.db2.gz LKYJAIFMWNKQBS-YJBOKZPZSA-N 1 0 321.417 2.561 20 10 DFCDRO CCn1cc(CC[N@@H+]2CC=C(c3ccc(N(C)C)cc3)C2)cn1 ZINC000370743814 428288920 /nfs/dbraw/zinc/28/89/20/428288920.db2.gz YEIRNXNAXAWRFF-UHFFFAOYSA-N 1 0 310.445 2.911 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CCCN(c2ncccn2)C1)c1ccccc1O ZINC000360338837 428259015 /nfs/dbraw/zinc/25/90/15/428259015.db2.gz VDKSWZLIIFPJCE-HUUCEWRRSA-N 1 0 312.417 2.749 20 10 DFCDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cccc(C)c2O)n1 ZINC000371422958 428388053 /nfs/dbraw/zinc/38/80/53/428388053.db2.gz ASBIZAHCBJLGSL-MRXNPFEDSA-N 1 0 300.406 2.574 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000360671937 428394011 /nfs/dbraw/zinc/39/40/11/428394011.db2.gz MKBVEBYGFOEOGD-KRWDZBQOSA-N 1 0 305.324 2.764 20 10 DFCDRO O=C(N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000371338091 428383386 /nfs/dbraw/zinc/38/33/86/428383386.db2.gz YLKMARNPCVRNPX-AWEZNQCLSA-N 1 0 308.809 2.536 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1OC ZINC000371357379 428386918 /nfs/dbraw/zinc/38/69/18/428386918.db2.gz KPGUFPXTCAWJBU-JCURWCKSSA-N 1 0 321.417 2.655 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000372412928 428443715 /nfs/dbraw/zinc/44/37/15/428443715.db2.gz CFZMSAAHCNDTGL-SFHVURJKSA-N 1 0 315.461 2.730 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1O ZINC000372433623 428446636 /nfs/dbraw/zinc/44/66/36/428446636.db2.gz MEQCGIVXSSNLIR-CQSZACIVSA-N 1 0 315.417 2.904 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCN([C@H]2CCSC2)CC1 ZINC000372601011 428473656 /nfs/dbraw/zinc/47/36/56/428473656.db2.gz QGCNYJVUSHAODE-HOCLYGCPSA-N 1 0 306.475 2.966 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)c1 ZINC000373604566 428619205 /nfs/dbraw/zinc/61/92/05/428619205.db2.gz RDEIEJSJFJYLQY-SFHVURJKSA-N 1 0 305.418 2.861 20 10 DFCDRO COc1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1O ZINC000155973996 274145357 /nfs/dbraw/zinc/14/53/57/274145357.db2.gz AQECGQQSRTUOHZ-UHFFFAOYSA-N 1 0 316.376 2.862 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000373974600 428656837 /nfs/dbraw/zinc/65/68/37/428656837.db2.gz ZXZLLGHGDYWPCN-SFHVURJKSA-N 1 0 315.461 2.585 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c1O ZINC000374189803 428668556 /nfs/dbraw/zinc/66/85/56/428668556.db2.gz LHZWYVNRFNAYFX-DLBZAZTESA-N 1 0 320.408 2.793 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000362310496 428699693 /nfs/dbraw/zinc/69/96/93/428699693.db2.gz RUYSEBYIKFAGEP-ZYSHUDEJSA-N 1 0 317.477 2.657 20 10 DFCDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000374917610 428785117 /nfs/dbraw/zinc/78/51/17/428785117.db2.gz YWBPZNKRQGLDFX-OAHLLOKOSA-N 1 0 306.381 2.508 20 10 DFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000363520277 428935222 /nfs/dbraw/zinc/93/52/22/428935222.db2.gz PLJLTPDUUVADON-HNNXBMFYSA-N 1 0 308.385 2.802 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c1 ZINC000363860128 428999111 /nfs/dbraw/zinc/99/91/11/428999111.db2.gz GHESAQCIPMAOOJ-FZMZJTMJSA-N 1 0 313.401 2.707 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c(O)c1C ZINC000363868513 429130996 /nfs/dbraw/zinc/13/09/96/429130996.db2.gz NPTWJCIVIXJDQK-CABCVRRESA-N 1 0 314.433 2.672 20 10 DFCDRO COC(=O)N1CCC([NH2+]Cc2c(C)c3ccccc3n2C)CC1 ZINC000492460622 429543570 /nfs/dbraw/zinc/54/35/70/429543570.db2.gz YLCAHNVICDZGQC-UHFFFAOYSA-N 1 0 315.417 2.807 20 10 DFCDRO Cc1nc([C@@H]2CCCCN2Cc2cc3c(cc2O)OCO3)no1 ZINC000367474337 429657789 /nfs/dbraw/zinc/65/77/89/429657789.db2.gz FHAKXGQMMLAEHU-LBPRGKRZSA-N 1 0 317.345 2.540 20 10 DFCDRO CN(C)c1ccc(CN2CC[NH+]([C@@H]3CCSC3)CC2)cc1F ZINC000367536890 429668180 /nfs/dbraw/zinc/66/81/80/429668180.db2.gz ZOTODLJXBAREDW-OAHLLOKOSA-N 1 0 323.481 2.515 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC000527808009 429803079 /nfs/dbraw/zinc/80/30/79/429803079.db2.gz PAJJCHDSYJFOAN-INIZCTEOSA-N 1 0 304.434 2.897 20 10 DFCDRO CCOc1cccc(C[NH2+]Cc2ccc3cn(C)nc3c2)c1O ZINC000527762914 429793795 /nfs/dbraw/zinc/79/37/95/429793795.db2.gz OLUMREMFLDGILQ-UHFFFAOYSA-N 1 0 311.385 2.967 20 10 DFCDRO OC[C@]1([NH2+]Cc2cc(Cl)ccc2O)COc2ccccc2C1 ZINC000527768928 429795047 /nfs/dbraw/zinc/79/50/47/429795047.db2.gz HMOLKJLZJUUEKW-KRWDZBQOSA-N 1 0 319.788 2.501 20 10 DFCDRO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc2ccccc2c1O ZINC000527958322 429828134 /nfs/dbraw/zinc/82/81/34/429828134.db2.gz VARRNZPSRDKLMB-JCURWCKSSA-N 1 0 301.386 2.736 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000368567579 429868704 /nfs/dbraw/zinc/86/87/04/429868704.db2.gz NFOLWQPZTANXDA-ARFHVFGLSA-N 1 0 303.402 2.913 20 10 DFCDRO C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(F)ccc1O ZINC000528013372 429837403 /nfs/dbraw/zinc/83/74/03/429837403.db2.gz CPSDWVJBAKMMIL-LBPRGKRZSA-N 1 0 308.397 2.831 20 10 DFCDRO C[C@@H]([NH2+]CC1CC(O)C1)c1cc(Br)ccc1O ZINC000528019964 429837587 /nfs/dbraw/zinc/83/75/87/429837587.db2.gz VZIDMOYJVAZJFA-FKTRJACZSA-N 1 0 300.196 2.576 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000368795012 429894348 /nfs/dbraw/zinc/89/43/48/429894348.db2.gz DHCCBGLNVYDVPH-SJLPKXTDSA-N 1 0 317.477 2.555 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCc2nnc(C)n2C1)c1ccc(N(C)C)cc1 ZINC000369474089 429953351 /nfs/dbraw/zinc/95/33/51/429953351.db2.gz XVGQSUGPZPVZMQ-DOTOQJQBSA-N 1 0 313.449 2.708 20 10 DFCDRO CC1(N2CCOCC2)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000529663292 430047840 /nfs/dbraw/zinc/04/78/40/430047840.db2.gz JBSIVESIWWZRCD-UHFFFAOYSA-N 1 0 324.852 2.732 20 10 DFCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCCc3cc(OC(F)F)ccc32)C1 ZINC000637943622 430179346 /nfs/dbraw/zinc/17/93/46/430179346.db2.gz HIFKMKGZYCPKCP-GFCCVEGCSA-N 1 0 308.328 2.615 20 10 DFCDRO [NH3+][C@H]1CC=C(C(=O)N2CCCc3cc(OC(F)F)ccc32)C1 ZINC000637943623 430180422 /nfs/dbraw/zinc/18/04/22/430180422.db2.gz HIFKMKGZYCPKCP-LBPRGKRZSA-N 1 0 308.328 2.615 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000285668747 277106064 /nfs/dbraw/zinc/10/60/64/277106064.db2.gz UDEYMVRFNOABAR-LRDDRELGSA-N 1 0 320.408 2.793 20 10 DFCDRO C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)N1CCOCC1 ZINC000184935360 278210705 /nfs/dbraw/zinc/21/07/05/278210705.db2.gz KWFGWTWZCPRMCQ-HUUCEWRRSA-N 1 0 314.429 2.917 20 10 DFCDRO CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000278806018 288063627 /nfs/dbraw/zinc/06/36/27/288063627.db2.gz NENMRTLOOGCHJP-OKZBNKHCSA-N 1 0 306.450 2.987 20 10 DFCDRO CC(C)c1cccc(N(C)C(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)c1 ZINC000662536783 431108803 /nfs/dbraw/zinc/10/88/03/431108803.db2.gz ZYUKQZDKSFELLW-AWEZNQCLSA-N 1 0 312.417 2.887 20 10 DFCDRO O=C(c1cn[nH]c1[C@@H]1CC[NH2+]C1)N1CC2(CCC2)c2ccccc21 ZINC000662544740 431110823 /nfs/dbraw/zinc/11/08/23/431110823.db2.gz GLSOSKKSBDZOBT-CYBMUJFWSA-N 1 0 322.412 2.569 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c1 ZINC000185313871 295167128 /nfs/dbraw/zinc/16/71/28/295167128.db2.gz SCOQJKWOIXEUGG-GFCCVEGCSA-N 1 0 324.421 2.918 20 10 DFCDRO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(Br)cc1O ZINC000528017943 300728461 /nfs/dbraw/zinc/72/84/61/300728461.db2.gz JIKJKHGCQDOLNI-SILCLGDVSA-N 1 0 300.196 2.576 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000368038421 332202906 /nfs/dbraw/zinc/20/29/06/332202906.db2.gz COTYPQDLKWRYEI-OAHLLOKOSA-N 1 0 300.406 2.697 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@]2(CC)CC[NH2+]C2)cc1 ZINC000370845029 332267952 /nfs/dbraw/zinc/26/79/52/332267952.db2.gz FJHNYXZUQJBZOL-GOSISDBHSA-N 1 0 303.450 2.539 20 10 DFCDRO COc1ccncc1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000293841754 335115187 /nfs/dbraw/zinc/11/51/87/335115187.db2.gz HDROTKDNZYAOKR-UHFFFAOYSA-N 1 0 308.765 2.748 20 10 DFCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000294766850 335127217 /nfs/dbraw/zinc/12/72/17/335127217.db2.gz YVYZOHSQQQXIAV-HOCLYGCPSA-N 1 0 304.434 2.692 20 10 DFCDRO CCOc1cccc(C[N@H+](C)[C@H](CO)c2ccccc2)c1O ZINC000294977963 335129292 /nfs/dbraw/zinc/12/92/92/335129292.db2.gz GIIBJGXYFCMMIS-MRXNPFEDSA-N 1 0 301.386 2.956 20 10 DFCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCc2nccn2C1 ZINC000364674311 333326130 /nfs/dbraw/zinc/32/61/30/333326130.db2.gz RILDIHUBGTZGEF-GFCCVEGCSA-N 1 0 305.809 2.937 20 10 DFCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295904020 335138487 /nfs/dbraw/zinc/13/84/87/335138487.db2.gz IUECYSFPOPSLKP-WBVHZDCISA-N 1 0 313.397 2.717 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)[C@@H]3CO)cc2)CC1 ZINC000296005235 335139463 /nfs/dbraw/zinc/13/94/63/335139463.db2.gz NDUVAZDBUJUBNI-KXBFYZLASA-N 1 0 318.461 2.505 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@H]3CO)cc2)CC1 ZINC000296005232 335139467 /nfs/dbraw/zinc/13/94/67/335139467.db2.gz NDUVAZDBUJUBNI-DNVCBOLYSA-N 1 0 318.461 2.505 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000296250944 335142861 /nfs/dbraw/zinc/14/28/61/335142861.db2.gz BIOULTUMAIPVAX-AEFFLSMTSA-N 1 0 319.493 2.640 20 10 DFCDRO C[C@H](CCCCO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296526946 335145901 /nfs/dbraw/zinc/14/59/01/335145901.db2.gz QGJKPHIRZPYRAT-HUUCEWRRSA-N 1 0 324.440 2.864 20 10 DFCDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296526943 335145983 /nfs/dbraw/zinc/14/59/83/335145983.db2.gz QGJKPHIRZPYRAT-GJZGRUSLSA-N 1 0 324.440 2.864 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](O)CC3)cc2)CC1 ZINC000296536739 335146042 /nfs/dbraw/zinc/14/60/42/335146042.db2.gz DRCRYCIRYZFXNJ-GOSISDBHSA-N 1 0 318.461 2.649 20 10 DFCDRO Cc1ccoc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000266166624 333971663 /nfs/dbraw/zinc/97/16/63/333971663.db2.gz ARVUYNZEXHVLAI-UHFFFAOYSA-N 1 0 318.392 2.978 20 10 DFCDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271419506 334023019 /nfs/dbraw/zinc/02/30/19/334023019.db2.gz BSSLJBUDGAZBLP-GJZGRUSLSA-N 1 0 324.440 2.722 20 10 DFCDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272270760 334032341 /nfs/dbraw/zinc/03/23/41/334032341.db2.gz LJSCXDJOLSVMHN-ZDUSSCGKSA-N 1 0 308.397 2.516 20 10 DFCDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(C)c1O ZINC000275515140 334071718 /nfs/dbraw/zinc/07/17/18/334071718.db2.gz KQQJUMPMSLDEOC-HOCLYGCPSA-N 1 0 301.390 2.537 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000291472923 334179067 /nfs/dbraw/zinc/17/90/67/334179067.db2.gz FBNVTZINWAYWSI-VIFPVBQESA-N 1 0 316.304 2.786 20 10 DFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ncccn2)C1 ZINC000301212783 336295194 /nfs/dbraw/zinc/29/51/94/336295194.db2.gz WRVLAQHCFARVPJ-CQSZACIVSA-N 1 0 318.808 2.912 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCc2nnc(C)n2C1)c1ccc(N(C)C)cc1 ZINC000369474092 336865389 /nfs/dbraw/zinc/86/53/89/336865389.db2.gz XVGQSUGPZPVZMQ-WBVHZDCISA-N 1 0 313.449 2.708 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000369628328 336868485 /nfs/dbraw/zinc/86/84/85/336868485.db2.gz FQBLBAJAFXXGEM-UHFFFAOYSA-N 1 0 312.417 2.586 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1O ZINC000370351539 336882818 /nfs/dbraw/zinc/88/28/18/336882818.db2.gz PWMNEUAAQWSVDQ-USXIJHARSA-N 1 0 304.434 2.686 20 10 DFCDRO C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccccc1O ZINC000371546663 336907758 /nfs/dbraw/zinc/90/77/58/336907758.db2.gz NNDXNTUDOSGRFT-LBPRGKRZSA-N 1 0 316.426 2.689 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(NC(=O)c3ccoc3)CC2)c1O ZINC000373223706 336953452 /nfs/dbraw/zinc/95/34/52/336953452.db2.gz KJDRJZNNFCUYLP-UHFFFAOYSA-N 1 0 314.385 2.688 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000375084647 337002923 /nfs/dbraw/zinc/00/29/23/337002923.db2.gz KKMSWSWURFIPEQ-UHFFFAOYSA-N 1 0 304.434 2.524 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@@](C)(O)C(C)C)CC2)cc1 ZINC000305139287 337014941 /nfs/dbraw/zinc/01/49/41/337014941.db2.gz PPENGSJORLQBSZ-GOSISDBHSA-N 1 0 306.450 2.661 20 10 DFCDRO OC[C@]1([NH2+]Cc2cc(Cl)ccc2O)CCc2ccccc21 ZINC000305173677 337016856 /nfs/dbraw/zinc/01/68/56/337016856.db2.gz QHYZNGSGVSPPSP-QGZVFWFLSA-N 1 0 303.789 2.969 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCC[C@@H](O)C3)CC2)cc1 ZINC000305188709 337018078 /nfs/dbraw/zinc/01/80/78/337018078.db2.gz XSXRZDHZMVCYHT-MAUKXSAKSA-N 1 0 318.461 2.805 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cc(F)ccc1O ZINC000376029133 337025602 /nfs/dbraw/zinc/02/56/02/337025602.db2.gz NBQKMUSCMZKWPC-GXTWGEPZSA-N 1 0 318.396 2.584 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1O ZINC000376045743 337025868 /nfs/dbraw/zinc/02/58/68/337025868.db2.gz OSDRAHZZWKEPMH-HNNXBMFYSA-N 1 0 315.417 2.904 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1O ZINC000376495424 337035012 /nfs/dbraw/zinc/03/50/12/337035012.db2.gz OBMLEVQSVGNFTO-BLLLJJGKSA-N 1 0 322.836 2.774 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1O ZINC000376495426 337035038 /nfs/dbraw/zinc/03/50/38/337035038.db2.gz OBMLEVQSVGNFTO-MLGOLLRUSA-N 1 0 322.836 2.774 20 10 DFCDRO COCCn1cc2c(n1)[C@H]([NH2+]Cc1cccc(C)c1O)CCC2 ZINC000376614339 337038063 /nfs/dbraw/zinc/03/80/63/337038063.db2.gz GICCAFWERDJLPT-MRXNPFEDSA-N 1 0 315.417 2.711 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN3CCCC[C@H]3CO2)c1 ZINC000376894878 337043356 /nfs/dbraw/zinc/04/33/56/337043356.db2.gz UYVZZRLPMVKMKF-HRCADAONSA-N 1 0 304.434 2.605 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c1 ZINC000377543102 337054709 /nfs/dbraw/zinc/05/47/09/337054709.db2.gz PIWYCMVACLODSB-VZAMPYOESA-N 1 0 318.417 2.580 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2nnc(C)o2)C1 ZINC000377713715 337059489 /nfs/dbraw/zinc/05/94/89/337059489.db2.gz AKUKRIQPSWLMPE-HIFRSBDPSA-N 1 0 303.362 2.608 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCn3ccnc3C2)cc1F ZINC000377859258 337062760 /nfs/dbraw/zinc/06/27/60/337062760.db2.gz GOCVPDLNOSFADX-OAHLLOKOSA-N 1 0 316.424 2.783 20 10 DFCDRO CCn1cnnc1C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000378350020 337070638 /nfs/dbraw/zinc/07/06/38/337070638.db2.gz QKHMURTVERURAW-UHFFFAOYSA-N 1 0 300.406 2.692 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCCCC[C@H]2C(=O)OC)c1O ZINC000360022164 337083967 /nfs/dbraw/zinc/08/39/67/337083967.db2.gz XIAXIGKFVFCOSU-AWEZNQCLSA-N 1 0 307.390 2.709 20 10 DFCDRO Oc1cccc([C@H]2CN(Cc3cc(F)ccc3O)CCO2)c1 ZINC000180165097 337175076 /nfs/dbraw/zinc/17/50/76/337175076.db2.gz RMSJJDDOMVJCOY-QGZVFWFLSA-N 1 0 303.333 2.810 20 10 DFCDRO COc1ccc(O)c(CNc2c[nH+]ccc2-n2cc(C)cn2)c1 ZINC000182668912 337189334 /nfs/dbraw/zinc/18/93/34/337189334.db2.gz CHXTUSQZAHUNFX-UHFFFAOYSA-N 1 0 310.357 2.902 20 10 DFCDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC000183597408 337193605 /nfs/dbraw/zinc/19/36/05/337193605.db2.gz PBFXYBGNTCOXBW-QWHCGFSZSA-N 1 0 300.406 2.773 20 10 DFCDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1O)CC2 ZINC000183597442 337193685 /nfs/dbraw/zinc/19/36/85/337193685.db2.gz PBFXYBGNTCOXBW-CHWSQXEVSA-N 1 0 300.406 2.773 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@]2(CO)CCc3ccccc32)c1 ZINC000305186375 337387093 /nfs/dbraw/zinc/38/70/93/337387093.db2.gz UEOAJWISALHFNU-LJQANCHMSA-N 1 0 313.397 2.715 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000359865378 337440025 /nfs/dbraw/zinc/44/00/25/337440025.db2.gz DTDVPUMWWYQKMB-ZOCIIQOWSA-N 1 0 316.445 2.741 20 10 DFCDRO Nc1ccc(CC(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)cc1 ZINC000237888388 337469636 /nfs/dbraw/zinc/46/96/36/337469636.db2.gz VYRRMYVIGZQWHI-GOSISDBHSA-N 1 0 315.461 2.678 20 10 DFCDRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000230166569 340619283 /nfs/dbraw/zinc/61/92/83/340619283.db2.gz DGNAUUFRFHWZTN-CYBMUJFWSA-N 1 0 306.406 2.739 20 10 DFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(=O)c(O)co1 ZINC000265574729 519655105 /nfs/dbraw/zinc/65/51/05/519655105.db2.gz WUHNPOXGENNYKC-UHFFFAOYSA-N 1 0 316.401 2.822 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000364236318 521148665 /nfs/dbraw/zinc/14/86/65/521148665.db2.gz LCWHKTIOUKKOFW-UHFFFAOYSA-N 1 0 321.417 2.562 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000367703998 521148852 /nfs/dbraw/zinc/14/88/52/521148852.db2.gz OEPVCZMHXZOQFG-ZDUSSCGKSA-N 1 0 301.390 2.514 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@](C)(O)c2ccsc2)c1 ZINC000265888614 521151395 /nfs/dbraw/zinc/15/13/95/521151395.db2.gz QNJIUNORUKWJHF-INIZCTEOSA-N 1 0 307.415 2.850 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000265270516 521154796 /nfs/dbraw/zinc/15/47/96/521154796.db2.gz UFFGDMCJKZZECM-MRXNPFEDSA-N 1 0 305.349 2.753 20 10 DFCDRO CCOc1cccc(CN2CC[NH+](C3CCCC3)CC2)c1O ZINC000156009060 521341876 /nfs/dbraw/zinc/34/18/76/521341876.db2.gz NXYRYNHJTULBEM-UHFFFAOYSA-N 1 0 304.434 2.851 20 10 DFCDRO CCOC(C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1)OCC ZINC000364914242 521630438 /nfs/dbraw/zinc/63/04/38/521630438.db2.gz NEBLRYSVHKPZHA-UHFFFAOYSA-N 1 0 304.434 2.851 20 10 DFCDRO CN(C)c1ccc(C[N@H+](CC[C@@H]2CCOC2=O)C2CC2)cc1 ZINC000267971767 522171811 /nfs/dbraw/zinc/17/18/11/522171811.db2.gz ZVWYBAPNPYKXSD-OAHLLOKOSA-N 1 0 302.418 2.670 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1F ZINC000131862946 522178039 /nfs/dbraw/zinc/17/80/39/522178039.db2.gz MWQURMHITYYCJR-INIZCTEOSA-N 1 0 302.397 2.962 20 10 DFCDRO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268876983 522423842 /nfs/dbraw/zinc/42/38/42/522423842.db2.gz HJQAEHVSRYGSNX-QAPCUYQASA-N 1 0 306.450 2.725 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)CC2(O)CCCCCC2)cc1OC ZINC000190139128 522770508 /nfs/dbraw/zinc/77/05/08/522770508.db2.gz ZFZLVHREMONGSJ-UHFFFAOYSA-N 1 0 323.433 2.927 20 10 DFCDRO COC(=O)C1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000237120131 522905415 /nfs/dbraw/zinc/90/54/15/522905415.db2.gz IJGAONRTAQCURK-UHFFFAOYSA-N 1 0 308.397 2.713 20 10 DFCDRO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(F)ccc1O ZINC000180212422 523277423 /nfs/dbraw/zinc/27/74/23/523277423.db2.gz MTHZNLWRAVQFRO-OAQYLSRUSA-N 1 0 307.390 2.901 20 10 DFCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180526455 524026394 /nfs/dbraw/zinc/02/63/94/524026394.db2.gz FBNKTWSNENPFGL-ZDUSSCGKSA-N 1 0 313.825 2.839 20 10 DFCDRO CNC(=O)CC1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000180379294 524055812 /nfs/dbraw/zinc/05/58/12/524055812.db2.gz IKPZMTIVCIAMFC-UHFFFAOYSA-N 1 0 310.825 2.702 20 10 DFCDRO COc1cccc2c1CC[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000181453927 524214620 /nfs/dbraw/zinc/21/46/20/524214620.db2.gz SFYUGRAFTRWHQX-UHFFFAOYSA-N 1 0 313.353 2.688 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1O ZINC000180337546 524386968 /nfs/dbraw/zinc/38/69/68/524386968.db2.gz CCBSWDTXDYLRAP-UHFFFAOYSA-N 1 0 316.445 2.925 20 10 DFCDRO Cc1cccc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)c1O ZINC000179973920 524400198 /nfs/dbraw/zinc/40/01/98/524400198.db2.gz QLVWLGGBGOLWQR-UHFFFAOYSA-N 1 0 312.413 2.724 20 10 DFCDRO C[C@H]1CC[C@H](C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)O1 ZINC000188569070 524406118 /nfs/dbraw/zinc/40/61/18/524406118.db2.gz XLMZZUJTCMJBAD-MAUKXSAKSA-N 1 0 304.434 2.523 20 10 DFCDRO Cc1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1O ZINC000190282396 524411439 /nfs/dbraw/zinc/41/14/39/524411439.db2.gz NATLDCKJBNELSX-HOTGVXAUSA-N 1 0 303.427 2.970 20 10 DFCDRO Cc1cccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1O ZINC000181207778 524429930 /nfs/dbraw/zinc/42/99/30/524429930.db2.gz ZYMPTZPTCUIVKL-UHFFFAOYSA-N 1 0 318.461 2.825 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000180125531 524736210 /nfs/dbraw/zinc/73/62/10/524736210.db2.gz RTISHTCNNKUPFR-UHFFFAOYSA-N 1 0 301.390 2.510 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181923616 524740354 /nfs/dbraw/zinc/74/03/54/524740354.db2.gz OYOGDGHZUMECOC-GOSISDBHSA-N 1 0 313.397 2.844 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000180485355 524740894 /nfs/dbraw/zinc/74/08/94/524740894.db2.gz VPNJNRJLXKPNHN-UHFFFAOYSA-N 1 0 304.415 2.785 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000180614890 524740941 /nfs/dbraw/zinc/74/09/41/524740941.db2.gz ZYRJLFONWBQFIR-OAHLLOKOSA-N 1 0 301.390 2.570 20 10 DFCDRO C[C@H]([N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000267771174 524814480 /nfs/dbraw/zinc/81/44/80/524814480.db2.gz LCSFPTSZDLAFNM-HNNXBMFYSA-N 1 0 317.477 2.831 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1O ZINC000180774157 524867399 /nfs/dbraw/zinc/86/73/99/524867399.db2.gz MUXNPMPGCFFVEW-ZDUSSCGKSA-N 1 0 320.824 2.858 20 10 DFCDRO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158031788 525304392 /nfs/dbraw/zinc/30/43/92/525304392.db2.gz UJHBZAZGKATLBW-DFBGVHRSSA-N 1 0 322.836 2.782 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1C ZINC000126716048 525315225 /nfs/dbraw/zinc/31/52/25/525315225.db2.gz IXLSVGWPOPBGAK-UHFFFAOYSA-N 1 0 316.445 2.986 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1C ZINC000365147519 525318064 /nfs/dbraw/zinc/31/80/64/525318064.db2.gz CDMQHXLQWJWHAG-HOTGVXAUSA-N 1 0 303.402 2.579 20 10 DFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1C ZINC000266225189 525322110 /nfs/dbraw/zinc/32/21/10/525322110.db2.gz SIHPSIQVPAMZGG-UHFFFAOYSA-N 1 0 322.412 2.939 20 10 DFCDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182387942 525377040 /nfs/dbraw/zinc/37/70/40/525377040.db2.gz CRICAKNBFTUUAT-KPZWWZAWSA-N 1 0 317.385 2.794 20 10 DFCDRO C[C@@H]([NH2+]CCCCCCO)c1ccc(N2CCOCC2)cc1 ZINC000181264155 525431990 /nfs/dbraw/zinc/43/19/90/525431990.db2.gz SNWKYWNZHIHBJO-MRXNPFEDSA-N 1 0 306.450 2.727 20 10 DFCDRO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131711373 525923254 /nfs/dbraw/zinc/92/32/54/525923254.db2.gz YDZTZZNEMWOLRJ-OAHLLOKOSA-N 1 0 303.450 2.585 20 10 DFCDRO C[C@H](C(=O)NC1CC1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131579438 526024958 /nfs/dbraw/zinc/02/49/58/526024958.db2.gz PZWIHTSFIYFLTH-OAHLLOKOSA-N 1 0 315.461 2.776 20 10 DFCDRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000158291500 526246339 /nfs/dbraw/zinc/24/63/39/526246339.db2.gz JOPJDZWSBDBYTM-OAHLLOKOSA-N 1 0 315.392 2.797 20 10 DFCDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000237696715 526251305 /nfs/dbraw/zinc/25/13/05/526251305.db2.gz BSPCMWPNULTGHB-INIZCTEOSA-N 1 0 315.392 2.797 20 10 DFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCC(O)CC1 ZINC000182954580 526334423 /nfs/dbraw/zinc/33/44/23/526334423.db2.gz IULFCHFQHXSGCF-UHFFFAOYSA-N 1 0 313.397 2.928 20 10 DFCDRO C[NH2+]CCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000285848751 536443993 /nfs/dbraw/zinc/44/39/93/536443993.db2.gz XJXPJRYDMXJDGA-UHFFFAOYSA-N 1 0 303.450 2.681 20 10 DFCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCO2)N1CCCc2ccccc21 ZINC000237949251 526884160 /nfs/dbraw/zinc/88/41/60/526884160.db2.gz OSYGPCZZDDBJDL-UHFFFAOYSA-N 1 0 322.408 2.691 20 10 DFCDRO O[C@@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCSC1 ZINC000176757373 527681332 /nfs/dbraw/zinc/68/13/32/527681332.db2.gz ZWVIFHUQAZMEGA-QGZVFWFLSA-N 1 0 306.475 2.635 20 10 DFCDRO COc1cc(O)c(C[NH2+]CC[C@H](O)c2ccccc2)cc1OC ZINC000289417115 536856701 /nfs/dbraw/zinc/85/67/01/536856701.db2.gz IQPNLNRIJBWHOG-HNNXBMFYSA-N 1 0 317.385 2.623 20 10 DFCDRO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(N(C)C)cc1 ZINC000090184864 185286049 /nfs/dbraw/zinc/28/60/49/185286049.db2.gz IDOXRLNBRCQNIJ-AWEZNQCLSA-N 1 0 303.450 2.710 20 10 DFCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092456651 185319484 /nfs/dbraw/zinc/31/94/84/185319484.db2.gz SJJOBMZNWUMWNU-ZDUSSCGKSA-N 1 0 307.390 2.566 20 10 DFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092710453 185335953 /nfs/dbraw/zinc/33/59/53/185335953.db2.gz KTRIDRCBXKBFBG-OAHLLOKOSA-N 1 0 304.434 2.829 20 10 DFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092707396 185335217 /nfs/dbraw/zinc/33/52/17/185335217.db2.gz OLMTUPAKQDQHIW-KRWDZBQOSA-N 1 0 317.477 2.881 20 10 DFCDRO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)no1 ZINC000092813660 185343254 /nfs/dbraw/zinc/34/32/54/185343254.db2.gz SBVSITPNVCFVBM-INIZCTEOSA-N 1 0 314.433 2.899 20 10 DFCDRO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000090849897 398494750 /nfs/dbraw/zinc/49/47/50/398494750.db2.gz CYJMFVDNZCAYAQ-APWZRJJASA-N 1 0 318.461 2.869 20 10 DFCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCC[C@@H]1O ZINC000091898573 398548278 /nfs/dbraw/zinc/54/82/78/398548278.db2.gz LSOSWRCLWZBONI-GWCFXTLKSA-N 1 0 314.223 2.748 20 10 DFCDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2O)CN1 ZINC000092105161 398558530 /nfs/dbraw/zinc/55/85/30/398558530.db2.gz PBEPFSGROKZZLQ-RISCZKNCSA-N 1 0 308.809 2.536 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)Cc3ccno3)CC2)cc1 ZINC000072801292 398637987 /nfs/dbraw/zinc/63/79/87/398637987.db2.gz AEZFKDFULKBTBS-UHFFFAOYSA-N 1 0 301.390 2.784 20 10 DFCDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000093482002 398639662 /nfs/dbraw/zinc/63/96/62/398639662.db2.gz DNYULVDLLRUKEI-MFKMUULPSA-N 1 0 314.223 2.890 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000093870513 398648269 /nfs/dbraw/zinc/64/82/69/398648269.db2.gz NPAKEMJWEKIOMV-AWEZNQCLSA-N 1 0 315.417 2.589 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000292006630 299372040 /nfs/dbraw/zinc/37/20/40/299372040.db2.gz YEJYLWPYGHSTQP-IAOVAPTHSA-N 1 0 324.490 2.759 20 10 DFCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000272373227 130024950 /nfs/dbraw/zinc/02/49/50/130024950.db2.gz GXOQCVVMBLJWAW-DYVFJYSZSA-N 1 0 304.409 2.980 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1O ZINC000273084312 130088507 /nfs/dbraw/zinc/08/85/07/130088507.db2.gz RJRPFOJUGUYMHQ-DLBZAZTESA-N 1 0 307.365 2.781 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cnn(C)c2)c1O ZINC000273242610 130100006 /nfs/dbraw/zinc/10/00/06/130100006.db2.gz APPHBHOWAVRBFE-VIFPVBQESA-N 1 0 307.781 2.833 20 10 DFCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@H](O)C(F)(F)F ZINC000273343633 130109628 /nfs/dbraw/zinc/10/96/28/130109628.db2.gz ABSUQMJADAXJMM-WLTAIBSBSA-N 1 0 307.312 2.753 20 10 DFCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@@H](O)C(F)(F)F ZINC000273343628 130110160 /nfs/dbraw/zinc/11/01/60/130110160.db2.gz ABSUQMJADAXJMM-LJUAHTATSA-N 1 0 307.312 2.753 20 10 DFCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(OC)c1O ZINC000273438733 130122215 /nfs/dbraw/zinc/12/22/15/130122215.db2.gz MLFFAXBDCIFMNM-SUMWQHHRSA-N 1 0 307.390 2.612 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c(O)c1 ZINC000273476763 130126570 /nfs/dbraw/zinc/12/65/70/130126570.db2.gz KYWAZBXIRGGEGC-ZVZYQTTQSA-N 1 0 315.413 2.836 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc2ccccc2c1O ZINC000273514994 130130439 /nfs/dbraw/zinc/13/04/39/130130439.db2.gz SJQYMXAAXDXSTK-FZKQIMNGSA-N 1 0 315.413 2.984 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC000273550397 130134746 /nfs/dbraw/zinc/13/47/46/130134746.db2.gz FTJOQFHDFNGTDY-RRFJBIMHSA-N 1 0 304.434 2.998 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCOCC2(C)C)c(O)c1C ZINC000273588441 130140659 /nfs/dbraw/zinc/14/06/59/130140659.db2.gz OMSRIABUIAYGOF-HNNXBMFYSA-N 1 0 306.450 2.770 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccc(C)o2)c1O ZINC000273817434 130172039 /nfs/dbraw/zinc/17/20/39/130172039.db2.gz ZWWXFQJSUBSNPD-LBPRGKRZSA-N 1 0 311.765 2.779 20 10 DFCDRO CC[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccccc1O ZINC000274730385 130257366 /nfs/dbraw/zinc/25/73/66/130257366.db2.gz BWZMIPBZFZQVRD-CQSZACIVSA-N 1 0 303.431 2.978 20 10 DFCDRO CC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275106722 130291632 /nfs/dbraw/zinc/29/16/32/130291632.db2.gz DQWSTYJDCOWGFH-KOLCDFICSA-N 1 0 302.212 2.885 20 10 DFCDRO CCOCc1cc(C[NH2+][C@H](COC)[C@@H]2CCCO2)ccc1OC ZINC000278545149 130700506 /nfs/dbraw/zinc/70/05/06/130700506.db2.gz ANXWAOHOCLGIEO-AEFFLSMTSA-N 1 0 323.433 2.515 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@H](COC)[C@H]2CCCO2)cc1 ZINC000278575972 130703782 /nfs/dbraw/zinc/70/37/82/130703782.db2.gz FEDIOTLYPYLBNW-QZTJIDSGSA-N 1 0 306.450 2.816 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000279977221 130773993 /nfs/dbraw/zinc/77/39/93/130773993.db2.gz ZJECEVVPEBYBOA-HOCLYGCPSA-N 1 0 303.450 2.537 20 10 DFCDRO COCC1([NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000283807278 131025233 /nfs/dbraw/zinc/02/52/33/131025233.db2.gz BENAGJJPDGTSON-UHFFFAOYSA-N 1 0 300.196 2.813 20 10 DFCDRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1cc2c(cc1O)CCCC2 ZINC000287257602 131271423 /nfs/dbraw/zinc/27/14/23/131271423.db2.gz IIEAHSIXGNABRJ-CYBMUJFWSA-N 1 0 307.434 2.709 20 10 DFCDRO C[C@H](O)c1ncc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000289058570 131355392 /nfs/dbraw/zinc/35/53/92/131355392.db2.gz BUBMBNVMENTUAS-JTQLQIEISA-N 1 0 309.410 2.691 20 10 DFCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2cccc(F)c2O)o1 ZINC000289445676 131387189 /nfs/dbraw/zinc/38/71/89/131387189.db2.gz MKZFVZAQUGUBIE-UHFFFAOYSA-N 1 0 306.381 2.997 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1O ZINC000289570295 131397111 /nfs/dbraw/zinc/39/71/11/131397111.db2.gz JNAZJPQFSXUNKK-CHWSQXEVSA-N 1 0 314.223 2.808 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)NCc1ccccc1 ZINC000297803638 132034909 /nfs/dbraw/zinc/03/49/09/132034909.db2.gz QLJOZKLQRICFIE-CJNGLKHVSA-N 1 0 310.397 2.674 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000299393261 132103447 /nfs/dbraw/zinc/10/34/47/132103447.db2.gz VOPDPEKZRORETA-OAHLLOKOSA-N 1 0 320.481 2.672 20 10 DFCDRO Cc1cc(C[NH2+]Cc2cccc(C)c2O)nc(N2CCCC2)n1 ZINC000292713988 543016136 /nfs/dbraw/zinc/01/61/36/543016136.db2.gz DNZNFQWWCLZBQJ-UHFFFAOYSA-N 1 0 312.417 2.689 20 10 DFCDRO COc1cccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c1O ZINC000263703959 286452248 /nfs/dbraw/zinc/45/22/48/286452248.db2.gz RWHHAWQKKLPFBA-ZDUSSCGKSA-N 1 0 300.358 2.669 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c(O)c1C ZINC000297381478 227091266 /nfs/dbraw/zinc/09/12/66/227091266.db2.gz RCKYRDFVGRNRJR-CVEARBPZSA-N 1 0 306.450 2.506 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]C1CCC(O)CC1 ZINC000060201683 425898623 /nfs/dbraw/zinc/89/86/23/425898623.db2.gz ANYDYRGHIGBEBA-UHFFFAOYSA-N 1 0 300.196 2.548 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000071408002 425985599 /nfs/dbraw/zinc/98/55/99/425985599.db2.gz QTJGVBWXVRPVGZ-LBPRGKRZSA-N 1 0 302.340 2.674 20 10 DFCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000113343349 426112797 /nfs/dbraw/zinc/11/27/97/426112797.db2.gz KRRMMSHWFKVMTN-HNNXBMFYSA-N 1 0 318.417 2.721 20 10 DFCDRO CC[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(N(C)C)cc1 ZINC000168305715 426134871 /nfs/dbraw/zinc/13/48/71/426134871.db2.gz FQTUTSVQQYQRCV-GOSISDBHSA-N 1 0 319.493 2.904 20 10 DFCDRO CN(C)c1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000129909968 426141326 /nfs/dbraw/zinc/14/13/26/426141326.db2.gz AMQUTGMLBHLQDZ-INIZCTEOSA-N 1 0 305.441 2.809 20 10 DFCDRO CC[N@H+](CCc1nccs1)Cc1cc2c(cc1O)OCO2 ZINC000134029551 426185101 /nfs/dbraw/zinc/18/51/01/426185101.db2.gz UJFSZGOEFQUWIU-UHFFFAOYSA-N 1 0 306.387 2.642 20 10 DFCDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000079900042 426206260 /nfs/dbraw/zinc/20/62/60/426206260.db2.gz JHVCXOZYRXUUAW-UHFFFAOYSA-N 1 0 311.429 2.581 20 10 DFCDRO CC(C)OCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000171497939 426191499 /nfs/dbraw/zinc/19/14/99/426191499.db2.gz QEFUXAYTKWBRGQ-UHFFFAOYSA-N 1 0 306.450 2.770 20 10 DFCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc(N(C)C)cc2)c(C)o1 ZINC000174441720 426257266 /nfs/dbraw/zinc/25/72/66/426257266.db2.gz MWIAEAFXZNFDHV-SFHVURJKSA-N 1 0 302.418 2.960 20 10 DFCDRO COc1cccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000151451675 426296391 /nfs/dbraw/zinc/29/63/91/426296391.db2.gz MSUQQTGWNXIDGD-XJKSGUPXSA-N 1 0 309.431 2.545 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000089726466 426304697 /nfs/dbraw/zinc/30/46/97/426304697.db2.gz LVRZSMJFLMZWBI-IPQOISQHSA-N 1 0 319.426 2.989 20 10 DFCDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccccc2O)cc1 ZINC000120058156 426306119 /nfs/dbraw/zinc/30/61/19/426306119.db2.gz SOEYYMPPBCHYCW-AWEZNQCLSA-N 1 0 319.426 2.653 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000120271793 426308621 /nfs/dbraw/zinc/30/86/21/426308621.db2.gz DCWCADAEZVSRNG-UHFFFAOYSA-N 1 0 311.433 2.619 20 10 DFCDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000151069154 426276440 /nfs/dbraw/zinc/27/64/40/426276440.db2.gz FYCUFIMIFDMIAX-OAHLLOKOSA-N 1 0 314.433 2.590 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCCN(C(=O)CC)CC2)c(O)c1 ZINC000092187127 426348357 /nfs/dbraw/zinc/34/83/57/426348357.db2.gz NPBNYZDXJTUTOA-UHFFFAOYSA-N 1 0 320.433 2.625 20 10 DFCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(C)c(C)cc1O)CC2 ZINC000093613589 426358015 /nfs/dbraw/zinc/35/80/15/426358015.db2.gz IHCXDCVTWDUKNK-ZWKOTPCHSA-N 1 0 319.445 2.761 20 10 DFCDRO CC(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000122274801 426366440 /nfs/dbraw/zinc/36/64/40/426366440.db2.gz VWHFPLQISJLNLE-UHFFFAOYSA-N 1 0 319.449 2.654 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cc1 ZINC000153151711 426372980 /nfs/dbraw/zinc/37/29/80/426372980.db2.gz ITOGADOGXDXDJW-IAGOWNOFSA-N 1 0 319.493 2.762 20 10 DFCDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000153829383 426409485 /nfs/dbraw/zinc/40/94/85/426409485.db2.gz MEIIXOBHVPRPLY-AWEZNQCLSA-N 1 0 306.406 2.785 20 10 DFCDRO COCCOCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000153986324 426417311 /nfs/dbraw/zinc/41/73/11/426417311.db2.gz WRLSCMQKUWXMOL-MRXNPFEDSA-N 1 0 306.450 2.991 20 10 DFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)C3CC3)CC2)cc1 ZINC000177189930 426451905 /nfs/dbraw/zinc/45/19/05/426451905.db2.gz IIZSNBVEINQUCN-INIZCTEOSA-N 1 0 317.477 2.595 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1ccccc1O ZINC000154980814 426460962 /nfs/dbraw/zinc/46/09/62/426460962.db2.gz PLMMFPDKDPANBV-IAGOWNOFSA-N 1 0 306.450 2.790 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H](O)CC)c1cc(Br)ccc1O ZINC000124367226 426481713 /nfs/dbraw/zinc/48/17/13/426481713.db2.gz AHGMSWITOAABDO-CMPLNLGQSA-N 1 0 302.212 2.966 20 10 DFCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000264351588 426541862 /nfs/dbraw/zinc/54/18/62/426541862.db2.gz HESQLNHZSYZYJA-KRWDZBQOSA-N 1 0 320.396 2.755 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1 ZINC000194936374 426496020 /nfs/dbraw/zinc/49/60/20/426496020.db2.gz NAAMUKMJVAIZHP-CYBMUJFWSA-N 1 0 316.405 2.529 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2cccc(O)c2)cc1OC ZINC000195024373 426499064 /nfs/dbraw/zinc/49/90/64/426499064.db2.gz SHJHABXQMUPVEX-NSHDSACASA-N 1 0 303.358 2.966 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1C ZINC000280133244 426502102 /nfs/dbraw/zinc/50/21/02/426502102.db2.gz CMKOOVHDCUDLMM-SFHVURJKSA-N 1 0 305.418 2.779 20 10 DFCDRO C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1cc(F)ccc1O ZINC000186307764 426502232 /nfs/dbraw/zinc/50/22/32/426502232.db2.gz GWCNTTFPRACPSH-ZDUSSCGKSA-N 1 0 316.376 2.541 20 10 DFCDRO CC[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(C)cc1O ZINC000280079113 426502292 /nfs/dbraw/zinc/50/22/92/426502292.db2.gz LPZKGNQZFMEJDT-MRXNPFEDSA-N 1 0 306.450 2.852 20 10 DFCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280529110 426592461 /nfs/dbraw/zinc/59/24/61/426592461.db2.gz RMAMAJFBAKYFOA-BFQNTYOBSA-N 1 0 311.809 2.814 20 10 DFCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280529119 426593076 /nfs/dbraw/zinc/59/30/76/426593076.db2.gz RMAMAJFBAKYFOA-HSMVNMDESA-N 1 0 311.809 2.814 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cc1OC ZINC000280377418 426561318 /nfs/dbraw/zinc/56/13/18/426561318.db2.gz FAZQSHKEZKXQSB-GXTWGEPZSA-N 1 0 309.406 2.535 20 10 DFCDRO CCOC(=O)C1CCC([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000289413290 426651784 /nfs/dbraw/zinc/65/17/84/426651784.db2.gz IDLQSUDVBHFOAN-UHFFFAOYSA-N 1 0 307.390 2.612 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000178565614 426656676 /nfs/dbraw/zinc/65/66/76/426656676.db2.gz NXVUVOVSZUXKJV-AWEZNQCLSA-N 1 0 315.392 2.654 20 10 DFCDRO Cc1cc(/C=C/C(=O)N2CC[C@@H](C[NH3+])C2)c(C)n1-c1ccccc1 ZINC000178585289 426658431 /nfs/dbraw/zinc/65/84/31/426658431.db2.gz GYAYMRSJJYXYEZ-IJDCCNJMSA-N 1 0 323.440 2.915 20 10 DFCDRO CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2O)C1)c1ccccc1 ZINC000280891280 426678774 /nfs/dbraw/zinc/67/87/74/426678774.db2.gz DNBBFRGTLMHBOB-INIZCTEOSA-N 1 0 310.397 2.877 20 10 DFCDRO Cc1cccc(C[NH2+]CCCn2cc(Br)cn2)c1O ZINC000290052651 426681510 /nfs/dbraw/zinc/68/15/10/426681510.db2.gz DSGQQCMXNPXKSH-UHFFFAOYSA-N 1 0 324.222 2.840 20 10 DFCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000227684877 426629386 /nfs/dbraw/zinc/62/93/86/426629386.db2.gz XTAPVRSATVRAFV-GFCCVEGCSA-N 1 0 306.406 2.624 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H](CN(C)C)c2ccccc2)c1 ZINC000237206344 426689687 /nfs/dbraw/zinc/68/96/87/426689687.db2.gz QTJVPBYEWNBCIU-QGZVFWFLSA-N 1 0 300.402 2.793 20 10 DFCDRO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Cl)ccc1O ZINC000281184257 426704695 /nfs/dbraw/zinc/70/46/95/426704695.db2.gz XCDAFIMLKQETEG-OVWNDWIMSA-N 1 0 301.839 2.997 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1 ZINC000281302025 426709854 /nfs/dbraw/zinc/70/98/54/426709854.db2.gz PVOVLTOODKXCSY-MRXNPFEDSA-N 1 0 301.390 2.862 20 10 DFCDRO CN(CC[N@H+](C)C1CC1)Cc1cc(Br)ccc1O ZINC000290470973 426771623 /nfs/dbraw/zinc/77/16/23/426771623.db2.gz NLWNJICMBREUEH-UHFFFAOYSA-N 1 0 313.239 2.681 20 10 DFCDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000179552542 426799411 /nfs/dbraw/zinc/79/94/11/426799411.db2.gz WFXSMFPGPNYVOK-UHFFFAOYSA-N 1 0 313.357 2.623 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000179580259 426803734 /nfs/dbraw/zinc/80/37/34/426803734.db2.gz IBBYRIKARWPWAQ-GOSISDBHSA-N 1 0 306.450 2.506 20 10 DFCDRO COc1cc(N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000282026369 426815461 /nfs/dbraw/zinc/81/54/61/426815461.db2.gz XZJQULPTKDXOHW-UHFFFAOYSA-N 1 0 323.393 2.534 20 10 DFCDRO COc1ccc(O)c(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000179803537 426819643 /nfs/dbraw/zinc/81/96/43/426819643.db2.gz YLVSZCKFOZACPA-MRXNPFEDSA-N 1 0 304.434 2.851 20 10 DFCDRO CC(C)N(Cc1nc(N(C)C)no1)Cc1ccc(N(C)C)cc1 ZINC000282117061 426832742 /nfs/dbraw/zinc/83/27/42/426832742.db2.gz XMDJPHNFWAPHRV-UHFFFAOYSA-N 1 0 317.437 2.612 20 10 DFCDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000291033044 426872618 /nfs/dbraw/zinc/87/26/18/426872618.db2.gz YRBKGAWKHPHYFH-ZJUUUORDSA-N 1 0 302.212 2.976 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291319682 426883970 /nfs/dbraw/zinc/88/39/70/426883970.db2.gz SLUWINPZAHMDEF-LJQANCHMSA-N 1 0 313.397 2.537 20 10 DFCDRO Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000295284822 426890621 /nfs/dbraw/zinc/89/06/21/426890621.db2.gz WNTKQLZBJZBBSJ-LJQANCHMSA-N 1 0 324.424 2.896 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1OC ZINC000291503083 426899925 /nfs/dbraw/zinc/89/99/25/426899925.db2.gz HPNUNXKHLNZYDW-RHSMWYFYSA-N 1 0 321.417 2.799 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000291506146 426900390 /nfs/dbraw/zinc/90/03/90/426900390.db2.gz HUEDDROTKADDAH-OAHLLOKOSA-N 1 0 306.362 2.929 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3CCCCN3C[C@@H]2C)c1O ZINC000316777151 426949939 /nfs/dbraw/zinc/94/99/39/426949939.db2.gz AATSPOWPJSZWRN-GOEBONIOSA-N 1 0 304.434 2.850 20 10 DFCDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cccc(C)c1O ZINC000283112333 426956779 /nfs/dbraw/zinc/95/67/79/426956779.db2.gz UORYDWZNYGKUSO-UHFFFAOYSA-N 1 0 318.442 2.900 20 10 DFCDRO C[N@H+](Cc1cc(Br)ccc1O)[C@H]1CC[C@H](O)CC1 ZINC000275904320 426944694 /nfs/dbraw/zinc/94/46/94/426944694.db2.gz DNGAONBYSUJFKO-JOCQHMNTSA-N 1 0 314.223 2.890 20 10 DFCDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000292008472 427057074 /nfs/dbraw/zinc/05/70/74/427057074.db2.gz YLFNVCQBKAVERC-OLZOCXBDSA-N 1 0 307.413 2.601 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)c1O ZINC000248815533 427044317 /nfs/dbraw/zinc/04/43/17/427044317.db2.gz IIZYAVGGWSQRRI-JGGQBBKZSA-N 1 0 319.401 2.564 20 10 DFCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268822677 427128541 /nfs/dbraw/zinc/12/85/41/427128541.db2.gz KIDROCMUIFVELM-RDJZCZTQSA-N 1 0 315.461 2.948 20 10 DFCDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000276903854 427125948 /nfs/dbraw/zinc/12/59/48/427125948.db2.gz OEXUDLSNWFIZJJ-HNNXBMFYSA-N 1 0 310.397 2.742 20 10 DFCDRO COc1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000277194079 427136831 /nfs/dbraw/zinc/13/68/31/427136831.db2.gz PAFYEGGIZQPEQF-GFCCVEGCSA-N 1 0 323.393 2.533 20 10 DFCDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000269007353 427145559 /nfs/dbraw/zinc/14/55/59/427145559.db2.gz LPQFSQBIMWEBBQ-GOEBONIOSA-N 1 0 324.440 2.864 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000269172618 427153176 /nfs/dbraw/zinc/15/31/76/427153176.db2.gz AJFQMRGBODXUPX-ACJLOTCBSA-N 1 0 311.429 2.903 20 10 DFCDRO COC1CCN(c2ccc(C[NH+]3CCC(OC)CC3)cc2)CC1 ZINC000296467231 427189643 /nfs/dbraw/zinc/18/96/43/427189643.db2.gz JTLJTTPMGWFPCT-UHFFFAOYSA-N 1 0 318.461 2.913 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)c1O ZINC000252866435 427196180 /nfs/dbraw/zinc/19/61/80/427196180.db2.gz RAQIGRAVDJRHKH-ZIAGYGMSSA-N 1 0 310.825 2.771 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000269823547 427284261 /nfs/dbraw/zinc/28/42/61/427284261.db2.gz PWVWIWCLEOOZNV-IBGZPJMESA-N 1 0 313.397 2.715 20 10 DFCDRO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC000183654134 427311214 /nfs/dbraw/zinc/31/12/14/427311214.db2.gz LFOGSZXXQASFAO-STQMWFEESA-N 1 0 300.406 2.773 20 10 DFCDRO COC1(CC[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000293519778 427350633 /nfs/dbraw/zinc/35/06/33/427350633.db2.gz OVYUAMWDEPJINI-UHFFFAOYSA-N 1 0 318.461 2.914 20 10 DFCDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cc2ccc(N)cc2)cc1 ZINC000262074961 427351290 /nfs/dbraw/zinc/35/12/90/427351290.db2.gz XFUZPQFVBGIFTL-IBGZPJMESA-N 1 0 323.440 2.547 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cc(Br)ccc1O ZINC000293327458 427290433 /nfs/dbraw/zinc/29/04/33/427290433.db2.gz FVUBRLUWZKBOPO-YGOYTEALSA-N 1 0 300.196 2.983 20 10 DFCDRO CO[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000293577918 427370219 /nfs/dbraw/zinc/37/02/19/427370219.db2.gz HMUPZTXIFIRMPP-ZDUSSCGKSA-N 1 0 314.223 2.978 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCOCC3)[C@H]1C1CC1)OCO2 ZINC000293590945 427372614 /nfs/dbraw/zinc/37/26/14/427372614.db2.gz IMIVLXDTPGEKIS-QGZVFWFLSA-N 1 0 317.385 2.512 20 10 DFCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000262829018 427376041 /nfs/dbraw/zinc/37/60/41/427376041.db2.gz HQDKTUVDDABZJY-BBRMVZONSA-N 1 0 311.429 2.964 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1O ZINC000271061224 427391074 /nfs/dbraw/zinc/39/10/74/427391074.db2.gz WZMCGUCYJCLBEJ-UHFFFAOYSA-N 1 0 320.433 2.528 20 10 DFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000271103393 427404759 /nfs/dbraw/zinc/40/47/59/427404759.db2.gz YMZNAMBBGNAUER-QGZVFWFLSA-N 1 0 305.466 2.687 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1C ZINC000278112376 427407646 /nfs/dbraw/zinc/40/76/46/427407646.db2.gz BMFSGQBOYVDKCZ-INIZCTEOSA-N 1 0 314.433 2.501 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c1 ZINC000191739523 427416299 /nfs/dbraw/zinc/41/62/99/427416299.db2.gz IFBVIQGSHRUYBW-OAHLLOKOSA-N 1 0 303.431 2.724 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1 ZINC000270472665 427359195 /nfs/dbraw/zinc/35/91/95/427359195.db2.gz HXQNBKIFNOZYPP-CQSZACIVSA-N 1 0 304.356 2.936 20 10 DFCDRO COc1ccc(-n2c(C)cc(C(=O)NC(C)(C)C[NH3+])c2C)cc1 ZINC000262550954 427360583 /nfs/dbraw/zinc/36/05/83/427360583.db2.gz RJQGZPQMEZFCDJ-UHFFFAOYSA-N 1 0 315.417 2.570 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000271243473 427465517 /nfs/dbraw/zinc/46/55/17/427465517.db2.gz VEMGLLJAGMLQGX-KRWDZBQOSA-N 1 0 302.393 2.585 20 10 DFCDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(C)c3O)C2=O)cc1 ZINC000191808626 427430881 /nfs/dbraw/zinc/43/08/81/427430881.db2.gz YHZGNYPSGLSZJS-SFHVURJKSA-N 1 0 324.424 2.900 20 10 DFCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CCCC2(C)C)cc1 ZINC000191858123 427435179 /nfs/dbraw/zinc/43/51/79/427435179.db2.gz NWWFAZURYBYEIK-MRXNPFEDSA-N 1 0 303.450 2.537 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c(O)c1 ZINC000278426940 427440273 /nfs/dbraw/zinc/44/02/73/427440273.db2.gz JBZDEJNFKZYZNB-CABCVRRESA-N 1 0 314.433 2.754 20 10 DFCDRO COc1c([O-])c(C[NH2+]CCc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278484760 427443128 /nfs/dbraw/zinc/44/31/28/427443128.db2.gz KESCRDAYCGAHGM-UHFFFAOYSA-N 1 0 316.357 2.950 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c1 ZINC000279004367 427527888 /nfs/dbraw/zinc/52/78/88/427527888.db2.gz RYPIXGRFMZCPBL-CHWSQXEVSA-N 1 0 301.390 2.511 20 10 DFCDRO COc1cccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c1O ZINC000263706024 427548043 /nfs/dbraw/zinc/54/80/43/427548043.db2.gz SKBVOFWTVRWBFP-UHFFFAOYSA-N 1 0 313.401 2.686 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000192492146 427551140 /nfs/dbraw/zinc/55/11/40/427551140.db2.gz JSRBRKKISJVCIN-HDICACEKSA-N 1 0 323.440 2.728 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1 ZINC000184915362 427564634 /nfs/dbraw/zinc/56/46/34/427564634.db2.gz PRIAIHOGZWBDMS-NVXWUHKLSA-N 1 0 306.450 2.708 20 10 DFCDRO C[S@](=O)C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000184937992 427566841 /nfs/dbraw/zinc/56/68/41/427566841.db2.gz FHUWABFJDLPSRR-VFNWGFHPSA-N 1 0 307.390 2.741 20 10 DFCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)[nH]1 ZINC000271762313 427583172 /nfs/dbraw/zinc/58/31/72/427583172.db2.gz FCBMKUYYHZIMIK-LBPRGKRZSA-N 1 0 306.797 2.852 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1OC ZINC000271765123 427583419 /nfs/dbraw/zinc/58/34/19/427583419.db2.gz AHCDVGBJJUOMNL-HIFRSBDPSA-N 1 0 309.406 2.703 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CO)C2)c1O ZINC000271779472 427584771 /nfs/dbraw/zinc/58/47/71/427584771.db2.gz GMTUXXCAPDLQHQ-LLVKDONJSA-N 1 0 314.223 2.667 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1O ZINC000271873150 427591125 /nfs/dbraw/zinc/59/11/25/427591125.db2.gz YMBCKVQFABSRCZ-QWRGUYRKSA-N 1 0 314.223 2.978 20 10 DFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C12CCC[NH+]1CCC2 ZINC000279199445 427591714 /nfs/dbraw/zinc/59/17/14/427591714.db2.gz KUBNRPFMYJQCPD-UHFFFAOYSA-N 1 0 315.461 2.730 20 10 DFCDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000192714288 427593314 /nfs/dbraw/zinc/59/33/14/427593314.db2.gz IWJQZBBVCBEHOQ-HUUCEWRRSA-N 1 0 314.429 2.917 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000271859792 427593335 /nfs/dbraw/zinc/59/33/35/427593335.db2.gz TUXILZLLODHPSM-DIFFPNOSSA-N 1 0 305.349 2.924 20 10 DFCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185130022 427599900 /nfs/dbraw/zinc/59/99/00/427599900.db2.gz RURUMGGFNBJRAJ-DZGCQCFKSA-N 1 0 319.376 2.930 20 10 DFCDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185389903 427644883 /nfs/dbraw/zinc/64/48/83/427644883.db2.gz ZHXISQRNUNGGJL-TVQRCGJNSA-N 1 0 302.212 2.966 20 10 DFCDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc(O)c1O ZINC000193119861 427668845 /nfs/dbraw/zinc/66/88/45/427668845.db2.gz DQCZTHSNCCOTSR-UHFFFAOYSA-N 1 0 318.417 2.625 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)c1 ZINC000295000109 427670198 /nfs/dbraw/zinc/67/01/98/427670198.db2.gz LFVZQGMFHXOHHN-QAPCUYQASA-N 1 0 314.385 2.806 20 10 DFCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295061264 427676781 /nfs/dbraw/zinc/67/67/81/427676781.db2.gz PLFMJSIMFRSKMD-SFHVURJKSA-N 1 0 304.434 2.523 20 10 DFCDRO Cc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c(=O)n1C ZINC000279458121 427678316 /nfs/dbraw/zinc/67/83/16/427678316.db2.gz IRQVTQWYWJDWSZ-LLVKDONJSA-N 1 0 306.793 2.904 20 10 DFCDRO CC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185800889 427708253 /nfs/dbraw/zinc/70/82/53/427708253.db2.gz RNIHNSONVDLNEH-MWLCHTKSSA-N 1 0 302.212 2.966 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc(F)ccc1O ZINC000185813334 427712435 /nfs/dbraw/zinc/71/24/35/427712435.db2.gz MKMMTPCZHSYABZ-WBMJQRKESA-N 1 0 314.360 2.987 20 10 DFCDRO Cc1ccncc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000279817195 427716797 /nfs/dbraw/zinc/71/67/97/427716797.db2.gz GDDLCIPRZJNJEL-UHFFFAOYSA-N 1 0 315.392 2.656 20 10 DFCDRO Cc1cccc(CN2CCO[C@H](c3nnc(C(C)C)o3)C2)c1O ZINC000279734878 427718199 /nfs/dbraw/zinc/71/81/99/427718199.db2.gz WOFWLPSEFIHOQF-AWEZNQCLSA-N 1 0 317.389 2.781 20 10 DFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2)CC1 ZINC000194265339 427736998 /nfs/dbraw/zinc/73/69/98/427736998.db2.gz XGMYATABMLEBLI-LJQANCHMSA-N 1 0 316.445 2.678 20 10 DFCDRO Cc1noc(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000185972471 427737104 /nfs/dbraw/zinc/73/71/04/427737104.db2.gz VEDGXHNRCKHRLP-NSHDSACASA-N 1 0 301.390 2.856 20 10 DFCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186068627 427744739 /nfs/dbraw/zinc/74/47/39/427744739.db2.gz OCHLNEZEIFJKAU-GFCCVEGCSA-N 1 0 320.364 2.903 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000186088941 427746402 /nfs/dbraw/zinc/74/64/02/427746402.db2.gz XTIXPFIKKPAPGZ-DOMZBBRYSA-N 1 0 314.429 2.685 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@]2(CCOC2)O1 ZINC000369545195 427995786 /nfs/dbraw/zinc/99/57/86/427995786.db2.gz DOEBFDFEHZWQOP-HOCLYGCPSA-N 1 0 311.809 2.816 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000369967157 428099975 /nfs/dbraw/zinc/09/99/75/428099975.db2.gz LEWWXXFDXZIAPI-WMZOPIPTSA-N 1 0 315.461 2.585 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC000360252753 428223866 /nfs/dbraw/zinc/22/38/66/428223866.db2.gz FPGYEHVBAFOASZ-HOTGVXAUSA-N 1 0 304.434 2.897 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000360252754 428224450 /nfs/dbraw/zinc/22/44/50/428224450.db2.gz FPGYEHVBAFOASZ-HZPDHXFCSA-N 1 0 304.434 2.897 20 10 DFCDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000370766692 428292865 /nfs/dbraw/zinc/29/28/65/428292865.db2.gz NRTFSHVOZAWCJH-LJQANCHMSA-N 1 0 323.440 2.544 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)c(O)c1C ZINC000371877219 428406157 /nfs/dbraw/zinc/40/61/57/428406157.db2.gz UBKIBIQBQAVBKZ-LSDHHAIUSA-N 1 0 314.433 2.672 20 10 DFCDRO COc1ccc(N2CCCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000372537090 428457379 /nfs/dbraw/zinc/45/73/79/428457379.db2.gz SDYWNJHLZPCUDZ-UHFFFAOYSA-N 1 0 317.477 2.693 20 10 DFCDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000372082277 428414727 /nfs/dbraw/zinc/41/47/27/428414727.db2.gz ZFXWAEWYSARCGG-IRXDYDNUSA-N 1 0 302.418 2.676 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@H](Oc3cccnc3C)C2)c1O ZINC000372817177 428504385 /nfs/dbraw/zinc/50/43/85/428504385.db2.gz XWCOQZUBRFGVEO-HNNXBMFYSA-N 1 0 314.385 2.758 20 10 DFCDRO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000373142209 428517680 /nfs/dbraw/zinc/51/76/80/428517680.db2.gz SVQCKXWNSCMGKY-HNNXBMFYSA-N 1 0 304.369 2.577 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC23CCC3)cc1 ZINC000373104658 428518404 /nfs/dbraw/zinc/51/84/04/428518404.db2.gz QIOMRZFDYBTOJG-UHFFFAOYSA-N 1 0 315.461 2.730 20 10 DFCDRO COc1ccc(O)c([C@@H](C)N2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000372595918 428471691 /nfs/dbraw/zinc/47/16/91/428471691.db2.gz BWNTUYHHDAGPMX-ZIAGYGMSSA-N 1 0 322.474 2.585 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000373516794 428595000 /nfs/dbraw/zinc/59/50/00/428595000.db2.gz RBRVVDZKMWIPAP-INIZCTEOSA-N 1 0 317.477 2.929 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1ccc(C)cc1O)CC2 ZINC000373561879 428606980 /nfs/dbraw/zinc/60/69/80/428606980.db2.gz QZOGJMLUVSYRQA-DZGCQCFKSA-N 1 0 314.433 2.910 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000373974909 428656559 /nfs/dbraw/zinc/65/65/59/428656559.db2.gz FZBJRWCAQCHWHK-QWQRMKEZSA-N 1 0 321.417 2.559 20 10 DFCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000290322778 274530722 /nfs/dbraw/zinc/53/07/22/274530722.db2.gz OKEUAYJXLIAWIQ-IXDGSTSKSA-N 1 0 312.413 2.898 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(C)n1-c1ccccc1 ZINC000365326077 429301435 /nfs/dbraw/zinc/30/14/35/429301435.db2.gz LMMLDPOGIVFUBK-QFBILLFUSA-N 1 0 323.440 2.918 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000367308719 429617089 /nfs/dbraw/zinc/61/70/89/429617089.db2.gz QSJIKNSYCSVCEJ-JKSUJKDBSA-N 1 0 314.433 2.945 20 10 DFCDRO C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000367180464 429591423 /nfs/dbraw/zinc/59/14/23/429591423.db2.gz UAQPTVAHUGUVDJ-RRQGHBQHSA-N 1 0 301.434 2.557 20 10 DFCDRO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1CCc3cccc(O)c31)CC2 ZINC000296781451 276077911 /nfs/dbraw/zinc/07/79/11/276077911.db2.gz KUGVZSKOHIZYPZ-UONOGXRCSA-N 1 0 312.417 2.699 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]CCC2(O)CCOCC2)cc1F ZINC000285374961 276120807 /nfs/dbraw/zinc/12/08/07/276120807.db2.gz CJAOVNDNOHFTJP-UHFFFAOYSA-N 1 0 324.440 2.693 20 10 DFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[N@H+](CC)C1CC1 ZINC000269641805 276354133 /nfs/dbraw/zinc/35/41/33/276354133.db2.gz KBWVKEMNKBRKRS-UHFFFAOYSA-N 1 0 303.450 2.585 20 10 DFCDRO C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O ZINC000367803078 429719845 /nfs/dbraw/zinc/71/98/45/429719845.db2.gz QSWHEHPQJSLRJG-HOCLYGCPSA-N 1 0 310.397 2.844 20 10 DFCDRO COc1ccc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1C ZINC000527806988 429802361 /nfs/dbraw/zinc/80/23/61/429802361.db2.gz OCEWGTPPZFUNAG-QGZVFWFLSA-N 1 0 310.397 2.920 20 10 DFCDRO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc2ccccc2c1O ZINC000527958326 429828178 /nfs/dbraw/zinc/82/81/78/429828178.db2.gz VARRNZPSRDKLMB-ZLIFDBKOSA-N 1 0 301.386 2.736 20 10 DFCDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000528004542 429835695 /nfs/dbraw/zinc/83/56/95/429835695.db2.gz RTCHSYKDSXZAPY-CVEARBPZSA-N 1 0 308.381 2.796 20 10 DFCDRO COCCn1ncc2c1[C@H]([NH2+]Cc1cc(C)ccc1O)CCC2 ZINC000368832148 429897583 /nfs/dbraw/zinc/89/75/83/429897583.db2.gz BXNYUBRYBWKHOC-MRXNPFEDSA-N 1 0 315.417 2.711 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000369229312 429920866 /nfs/dbraw/zinc/92/08/66/429920866.db2.gz DXVQHQQREFOZOI-HXUWFJFHSA-N 1 0 324.424 2.754 20 10 DFCDRO CCOC[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000529664182 430047611 /nfs/dbraw/zinc/04/76/11/430047611.db2.gz BATZIIMDPUVMRF-HNNXBMFYSA-N 1 0 301.386 2.783 20 10 DFCDRO CN(C(=O)C1=CC[C@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000637980432 430193669 /nfs/dbraw/zinc/19/36/69/430193669.db2.gz KFXNKONZIAMAIM-JTQLQIEISA-N 1 0 300.280 2.596 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@H](C)[C@@H]3C)cc2)CC1 ZINC000296754848 277194628 /nfs/dbraw/zinc/19/46/28/277194628.db2.gz LAOSTTHFAXRDLB-JKSUJKDBSA-N 1 0 318.461 2.911 20 10 DFCDRO CCOc1ccc(N(CC2CC2)C(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638828027 430446489 /nfs/dbraw/zinc/44/64/89/430446489.db2.gz HITQVTRSJYMWEJ-OAHLLOKOSA-N 1 0 300.402 2.876 20 10 DFCDRO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CCc3cccc(O)c31)CC2 ZINC000296781456 278110606 /nfs/dbraw/zinc/11/06/06/278110606.db2.gz KUGVZSKOHIZYPZ-ZIAGYGMSSA-N 1 0 312.417 2.699 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1O ZINC000271884576 278244311 /nfs/dbraw/zinc/24/43/11/278244311.db2.gz AIIYJGXCEUJOPC-KRWDZBQOSA-N 1 0 309.381 2.861 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000278633952 279515431 /nfs/dbraw/zinc/51/54/31/279515431.db2.gz SAQNUCWQMQQGMW-RVKKMQEKSA-N 1 0 304.434 2.599 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(CO)ccc2F)c1 ZINC000528437820 300790239 /nfs/dbraw/zinc/79/02/39/300790239.db2.gz ODDYUBAKBHREPI-NSHDSACASA-N 1 0 305.349 2.883 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)c(O)c1C ZINC000273432240 301786149 /nfs/dbraw/zinc/78/61/49/301786149.db2.gz WBFVPPOJCSBBMG-HNNXBMFYSA-N 1 0 306.450 2.770 20 10 DFCDRO COC(=O)[C@@H]1CCCCC[N@@H+]1[C@@H](C)c1cc(OC)ccc1O ZINC000368030851 332171718 /nfs/dbraw/zinc/17/17/18/332171718.db2.gz PYAOMIIYSYVDHS-WFASDCNBSA-N 1 0 307.390 2.879 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccccc1O ZINC000293662882 335114620 /nfs/dbraw/zinc/11/46/20/335114620.db2.gz LZOFWMOEJAQRDE-IIAWOOMASA-N 1 0 311.447 2.789 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000113343408 333119553 /nfs/dbraw/zinc/11/95/53/333119553.db2.gz OEAWUNUATSNRQP-CQSZACIVSA-N 1 0 306.406 2.800 20 10 DFCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cccc(OC)c1O ZINC000294692753 335125243 /nfs/dbraw/zinc/12/52/43/335125243.db2.gz BVOGDFZIUVINCN-NSHDSACASA-N 1 0 307.312 2.848 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@H](C)O)C3)cc2)CC1 ZINC000294933040 335128948 /nfs/dbraw/zinc/12/89/48/335128948.db2.gz HMPJHXPILZNWCJ-RDJZCZTQSA-N 1 0 318.461 2.505 20 10 DFCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H](O)C(F)F ZINC000295083829 335132140 /nfs/dbraw/zinc/13/21/40/335132140.db2.gz QSZQQDAXANZDBI-JOYOIKCWSA-N 1 0 309.740 2.548 20 10 DFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC=CO1 ZINC000193639033 333305159 /nfs/dbraw/zinc/30/51/59/333305159.db2.gz CECSKOLCMUKJDO-SFHVURJKSA-N 1 0 302.418 2.648 20 10 DFCDRO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364508928 333324685 /nfs/dbraw/zinc/32/46/85/333324685.db2.gz LNUGXEBDEHJACY-NSHDSACASA-N 1 0 313.188 2.738 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCn2nc(C)cc2C)c1 ZINC000184872186 333367822 /nfs/dbraw/zinc/36/78/22/333367822.db2.gz YQZMEEXDMHTFHQ-AWEZNQCLSA-N 1 0 303.406 2.955 20 10 DFCDRO OC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccc(F)cc1 ZINC000295790223 335137960 /nfs/dbraw/zinc/13/79/60/335137960.db2.gz BNJJCJSWKIZZQB-PBHICJAKSA-N 1 0 315.388 2.959 20 10 DFCDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000296256958 335142599 /nfs/dbraw/zinc/14/25/99/335142599.db2.gz DCXVLQYSPKPFMQ-KSSFIOAISA-N 1 0 320.502 2.736 20 10 DFCDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1c1ccccc1 ZINC000296275206 335142825 /nfs/dbraw/zinc/14/28/25/335142825.db2.gz CAIGPRJUZUPDGO-HZPDHXFCSA-N 1 0 308.381 2.775 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H]1O ZINC000296369722 335144080 /nfs/dbraw/zinc/14/40/80/335144080.db2.gz SOAQTZBSQJVJTK-LPHOPBHVSA-N 1 0 318.461 2.505 20 10 DFCDRO Oc1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000271368696 334021678 /nfs/dbraw/zinc/02/16/78/334021678.db2.gz OWJKWPMGQMGULG-CZUORRHYSA-N 1 0 305.324 2.978 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000272530933 334036743 /nfs/dbraw/zinc/03/67/43/334036743.db2.gz ZNDUWYFNAAHFTK-LBPRGKRZSA-N 1 0 316.380 2.906 20 10 DFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2O)s1 ZINC000280691219 334119496 /nfs/dbraw/zinc/11/94/96/334119496.db2.gz VSFUUHRYVFKBNM-UHFFFAOYSA-N 1 0 311.428 2.537 20 10 DFCDRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc2ccccc2c1O ZINC000280939207 334121546 /nfs/dbraw/zinc/12/15/46/334121546.db2.gz SKBHEOWUQDLYPE-CWRNSKLLSA-N 1 0 315.413 2.841 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000291472915 334179032 /nfs/dbraw/zinc/17/90/32/334179032.db2.gz FBNVTZINWAYWSI-SECBINFHSA-N 1 0 316.304 2.786 20 10 DFCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCc3cccc(O)c31)C2 ZINC000296833270 334237124 /nfs/dbraw/zinc/23/71/24/334237124.db2.gz MQRNXJQBYLKAKX-GDBMZVCRSA-N 1 0 311.381 2.981 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000352136310 336196194 /nfs/dbraw/zinc/19/61/94/336196194.db2.gz XVLCNZMBVZJHMC-ZIAGYGMSSA-N 1 0 313.445 2.976 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(O)c1 ZINC000192810098 336263865 /nfs/dbraw/zinc/26/38/65/336263865.db2.gz VYFJJEGKLJMLOK-HUUCEWRRSA-N 1 0 312.417 2.810 20 10 DFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ncccn2)C1 ZINC000301212782 336295205 /nfs/dbraw/zinc/29/52/05/336295205.db2.gz WRVLAQHCFARVPJ-AWEZNQCLSA-N 1 0 318.808 2.912 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000368164287 336839802 /nfs/dbraw/zinc/83/98/02/336839802.db2.gz TXIRIMKGKHJTBE-OAHLLOKOSA-N 1 0 305.418 2.718 20 10 DFCDRO O=C(NC1CC1)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000371413788 336903103 /nfs/dbraw/zinc/90/31/03/336903103.db2.gz ZCUXKDGTBMJXGZ-UHFFFAOYSA-N 1 0 308.809 2.536 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccoc3)CC2)c1 ZINC000371411056 336903214 /nfs/dbraw/zinc/90/32/14/336903214.db2.gz KZRHFCYMQLGOHT-UHFFFAOYSA-N 1 0 314.385 2.688 20 10 DFCDRO Cc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c(C)n1-c1ccccn1 ZINC000372435342 336931169 /nfs/dbraw/zinc/93/11/69/336931169.db2.gz DRDVMCRZEFGWKK-PHZGNYQRSA-N 1 0 324.428 2.583 20 10 DFCDRO OC[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCOc2ccccc21 ZINC000374135035 336981964 /nfs/dbraw/zinc/98/19/64/336981964.db2.gz DWEVLBCWXQFPPR-KRWDZBQOSA-N 1 0 319.788 2.806 20 10 DFCDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)c1cccs1 ZINC000374283860 336985867 /nfs/dbraw/zinc/98/58/67/336985867.db2.gz PMLYGLAQRYSGMS-UHFFFAOYSA-N 1 0 316.426 2.848 20 10 DFCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000375097113 337003271 /nfs/dbraw/zinc/00/32/71/337003271.db2.gz PWAQUODNUBGHCN-OAHLLOKOSA-N 1 0 322.412 2.890 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)CC2 ZINC000375851592 337021309 /nfs/dbraw/zinc/02/13/09/337021309.db2.gz UYCAAFBKOUVMAU-STQMWFEESA-N 1 0 300.406 2.520 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccncc3)C1)OCO2 ZINC000376868251 337042992 /nfs/dbraw/zinc/04/29/92/337042992.db2.gz YYIDPOFNABGNHX-AWEZNQCLSA-N 1 0 312.369 2.581 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN3CCCC[C@@H]3CO2)c1 ZINC000376894875 337043351 /nfs/dbraw/zinc/04/33/51/337043351.db2.gz UYVZZRLPMVKMKF-ARFHVFGLSA-N 1 0 304.434 2.605 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)ccc21 ZINC000376904985 337043521 /nfs/dbraw/zinc/04/35/21/337043521.db2.gz SSCBJOYKYUUNAL-ZFWWWQNUSA-N 1 0 314.351 2.878 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(Cn2cncn2)CC1 ZINC000377730544 337059795 /nfs/dbraw/zinc/05/97/95/337059795.db2.gz ZDXUVPSMGORVDB-INIZCTEOSA-N 1 0 300.406 2.847 20 10 DFCDRO CN1CCc2cc(CNC(=O)Nc3ccn4ccnc4c3)ccc21 ZINC000377817959 337061953 /nfs/dbraw/zinc/06/19/53/337061953.db2.gz XLIRDXKACQSISZ-UHFFFAOYSA-N 1 0 321.384 2.648 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1F ZINC000378369922 337071002 /nfs/dbraw/zinc/07/10/02/337071002.db2.gz MFECKDLMWYLZLI-CVEARBPZSA-N 1 0 310.438 2.598 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1O ZINC000378397031 337071674 /nfs/dbraw/zinc/07/16/74/337071674.db2.gz ANVUEMXGFADBFE-CQSZACIVSA-N 1 0 307.390 2.566 20 10 DFCDRO COc1cc(O)c(CN2CCC[N@H+](CC(C)C)CC2)cc1OC ZINC000378440319 337072850 /nfs/dbraw/zinc/07/28/50/337072850.db2.gz ANHFGARPSYKXIS-UHFFFAOYSA-N 1 0 322.449 2.573 20 10 DFCDRO Cc1nnc([C@H]2CC23CC[NH+](Cc2cc(F)ccc2O)CC3)o1 ZINC000378496973 337074503 /nfs/dbraw/zinc/07/45/03/337074503.db2.gz PEBASPZGMZNHSI-CQSZACIVSA-N 1 0 317.364 2.992 20 10 DFCDRO Oc1ccccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000179554126 337170121 /nfs/dbraw/zinc/17/01/21/337170121.db2.gz GSAHVGOHNWAYFQ-UHFFFAOYSA-N 1 0 308.385 2.815 20 10 DFCDRO Cn1ccnc1CC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180113719 337171453 /nfs/dbraw/zinc/17/14/53/337171453.db2.gz ZDLKLWOFSPCAPZ-UHFFFAOYSA-N 1 0 303.381 2.720 20 10 DFCDRO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000180621992 337176796 /nfs/dbraw/zinc/17/67/96/337176796.db2.gz MHKCCCAIRQIBRZ-UKRRQHHQSA-N 1 0 313.449 2.572 20 10 DFCDRO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(F)ccc1O ZINC000184989840 337202178 /nfs/dbraw/zinc/20/21/78/337202178.db2.gz PVDPBVDKHIYYQQ-GFCCVEGCSA-N 1 0 312.348 2.963 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1 ZINC000184988559 337202248 /nfs/dbraw/zinc/20/22/48/337202248.db2.gz OBIPKHJKKAEOFV-ZDUSSCGKSA-N 1 0 324.384 2.832 20 10 DFCDRO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)CC2 ZINC000185995736 337252515 /nfs/dbraw/zinc/25/25/15/337252515.db2.gz BWNJVFDQUKVJOE-QWHCGFSZSA-N 1 0 300.406 2.520 20 10 DFCDRO CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Cl)ccc2O)C1 ZINC000190146150 337285251 /nfs/dbraw/zinc/28/52/51/337285251.db2.gz ONWNNEPQVKQBPW-OLZOCXBDSA-N 1 0 323.780 2.699 20 10 DFCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ncc[nH]2)C1 ZINC000113359324 337391032 /nfs/dbraw/zinc/39/10/32/337391032.db2.gz OFSBMYMWRLTIFK-CQSZACIVSA-N 1 0 320.824 2.523 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1cc(F)ccc1O ZINC000359963006 337441096 /nfs/dbraw/zinc/44/10/96/337441096.db2.gz XUMVXDVBBWCMOQ-TZMCWYRMSA-N 1 0 316.380 2.641 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000286876510 337616027 /nfs/dbraw/zinc/61/60/27/337616027.db2.gz HXMALNGKISYOSL-GXTWGEPZSA-N 1 0 302.340 2.952 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c(O)c1 ZINC000528017654 337783998 /nfs/dbraw/zinc/78/39/98/337783998.db2.gz XSEBDEYTUNTORP-AWEZNQCLSA-N 1 0 304.434 3.000 20 10 DFCDRO CN(C)[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000237170915 340668510 /nfs/dbraw/zinc/66/85/10/340668510.db2.gz PVCOGPQPDRPZKB-HNNXBMFYSA-N 1 0 314.385 2.513 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC([NH2+]C(C)C)CC2)c1O ZINC000175637233 518285081 /nfs/dbraw/zinc/28/50/81/518285081.db2.gz XLFKOHPQJMUOEJ-UHFFFAOYSA-N 1 0 308.397 2.696 20 10 DFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179931530 519873633 /nfs/dbraw/zinc/87/36/33/519873633.db2.gz FCTJHWGNRYZDOV-HNNXBMFYSA-N 1 0 304.434 2.829 20 10 DFCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2O)C12CCOCC2 ZINC000186456155 520550298 /nfs/dbraw/zinc/55/02/98/520550298.db2.gz MRVMWUILJSJDFF-CVEARBPZSA-N 1 0 305.418 2.764 20 10 DFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179935846 520675709 /nfs/dbraw/zinc/67/57/09/520675709.db2.gz YAKVPJGAWAIWJR-INIZCTEOSA-N 1 0 304.434 2.829 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000122113490 521145139 /nfs/dbraw/zinc/14/51/39/521145139.db2.gz JHLOKDJAEBVPJU-UHFFFAOYSA-N 1 0 315.417 2.900 20 10 DFCDRO CCOc1cccc(CN2CCC[N@H+](CC(C)C)CC2)c1O ZINC000372409904 521338142 /nfs/dbraw/zinc/33/81/42/521338142.db2.gz MQEIYIQJHOLGCT-UHFFFAOYSA-N 1 0 306.450 2.955 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1O ZINC000180125849 521338935 /nfs/dbraw/zinc/33/89/35/521338935.db2.gz MENGTYUTAYCRFY-MRXNPFEDSA-N 1 0 315.417 2.960 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@H](C)Cn2ccnc2C)c1O ZINC000236940241 521365044 /nfs/dbraw/zinc/36/50/44/521365044.db2.gz YWWKLCBULFFPLY-ZDUSSCGKSA-N 1 0 303.406 2.722 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)c1O ZINC000189022912 521370871 /nfs/dbraw/zinc/37/08/71/521370871.db2.gz GCYUTKURQLNHSD-QGZVFWFLSA-N 1 0 315.413 2.793 20 10 DFCDRO CC[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[NH+](C)C ZINC000124612950 521804362 /nfs/dbraw/zinc/80/43/62/521804362.db2.gz AQZIESSXBQMRSU-SFHVURJKSA-N 1 0 317.477 2.976 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1F ZINC000128420812 522181778 /nfs/dbraw/zinc/18/17/78/522181778.db2.gz ZRDQOCFWMZBZRI-AWEZNQCLSA-N 1 0 302.397 2.615 20 10 DFCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](CC)c1ccccc1O ZINC000156437602 522673391 /nfs/dbraw/zinc/67/33/91/522673391.db2.gz ZRVWLWCUMUDWHV-CQSZACIVSA-N 1 0 303.406 2.938 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2ccccn2)cc1OC ZINC000182062780 522774541 /nfs/dbraw/zinc/77/45/41/522774541.db2.gz DSTKIDMJLSDMTP-GFCCVEGCSA-N 1 0 302.374 2.997 20 10 DFCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@H](O)COCc1ccccc1 ZINC000179983031 523181676 /nfs/dbraw/zinc/18/16/76/523181676.db2.gz GOGUXKXSKBHQDA-KRWDZBQOSA-N 1 0 319.376 2.541 20 10 DFCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H](O)COCc1ccccc1 ZINC000179983045 523182815 /nfs/dbraw/zinc/18/28/15/523182815.db2.gz GOGUXKXSKBHQDA-QGZVFWFLSA-N 1 0 319.376 2.541 20 10 DFCDRO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(OC)ccc1O ZINC000180498366 523748061 /nfs/dbraw/zinc/74/80/61/523748061.db2.gz WEYYSENRBGTTDO-UHFFFAOYSA-N 1 0 305.374 2.951 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@H]3C[C@H](CO)c4ccccc43)ccc21 ZINC000364987353 523997074 /nfs/dbraw/zinc/99/70/74/523997074.db2.gz FMWIPNTTZDNMGO-APWZRJJASA-N 1 0 308.425 2.989 20 10 DFCDRO CNC(=O)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268803452 524064999 /nfs/dbraw/zinc/06/49/99/524064999.db2.gz GWXWIRNFCPIUAN-OAHLLOKOSA-N 1 0 303.450 2.854 20 10 DFCDRO COc1ccc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1C ZINC000365660466 524091501 /nfs/dbraw/zinc/09/15/01/524091501.db2.gz GFEHBEDQQWYRDD-QZTJIDSGSA-N 1 0 319.445 2.803 20 10 DFCDRO Cc1cc(C(=O)N[C@H](C[NH3+])CC(C)C)c(C)n1-c1ccccn1 ZINC000236657723 524147398 /nfs/dbraw/zinc/14/73/98/524147398.db2.gz UWKUQUBDYRMMSO-HNNXBMFYSA-N 1 0 314.433 2.592 20 10 DFCDRO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000264743047 524182376 /nfs/dbraw/zinc/18/23/76/524182376.db2.gz URUPCINBBWPBML-QGZVFWFLSA-N 1 0 315.413 2.881 20 10 DFCDRO C[C@@H](CCNC(=O)N(C)Cc1ccccc1O)[NH+]1CCCCC1 ZINC000182708114 524488374 /nfs/dbraw/zinc/48/83/74/524488374.db2.gz BSSFYUGEENAONQ-HNNXBMFYSA-N 1 0 319.449 2.798 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000180487960 524747142 /nfs/dbraw/zinc/74/71/42/524747142.db2.gz MBJFTZQADVPNKW-GFCCVEGCSA-N 1 0 307.390 2.564 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000182447948 524762420 /nfs/dbraw/zinc/76/24/20/524762420.db2.gz GYZUWOBAJZGPDY-FZKQIMNGSA-N 1 0 301.386 2.959 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1 ZINC000128240936 525341749 /nfs/dbraw/zinc/34/17/49/525341749.db2.gz FAVRCMKCXYJAEI-MRXNPFEDSA-N 1 0 314.385 2.574 20 10 DFCDRO C[C@H]([NH2+]CCOCCO)c1ccc(N2CCCCCC2)cc1 ZINC000159160359 525358130 /nfs/dbraw/zinc/35/81/30/525358130.db2.gz AENWWTWVHBDBGE-INIZCTEOSA-N 1 0 306.450 2.727 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c1O ZINC000181094929 526018832 /nfs/dbraw/zinc/01/88/32/526018832.db2.gz MANCNKIIRHAJIU-OAHLLOKOSA-N 1 0 321.417 2.956 20 10 DFCDRO COc1cccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1O ZINC000265150417 526023507 /nfs/dbraw/zinc/02/35/07/526023507.db2.gz OMFMZQVYSVVNIQ-KRWDZBQOSA-N 1 0 323.339 2.676 20 10 DFCDRO COc1cccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c1O ZINC000181094945 526024621 /nfs/dbraw/zinc/02/46/21/526024621.db2.gz MANCNKIIRHAJIU-HNNXBMFYSA-N 1 0 321.417 2.956 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000228731268 526341429 /nfs/dbraw/zinc/34/14/29/526341429.db2.gz ZWGQCEHFTIPBTP-VIFPVBQESA-N 1 0 302.237 2.997 20 10 DFCDRO Oc1ccccc1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000189472617 526371342 /nfs/dbraw/zinc/37/13/42/526371342.db2.gz ASXQTQUHEDMKBU-UHFFFAOYSA-N 1 0 302.340 2.756 20 10 DFCDRO [NH3+]CCCN(Cc1cc2c(cc1O)OCO2)c1cccc(F)c1 ZINC000183218094 527179082 /nfs/dbraw/zinc/17/90/82/527179082.db2.gz KGIMZPDKUZAXEO-UHFFFAOYSA-N 1 0 318.348 2.615 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H](OCC)[C@@]23CCCO3)c1 ZINC000273570086 535752339 /nfs/dbraw/zinc/75/23/39/535752339.db2.gz GHYYKHJKEVMPSR-FGTMMUONSA-N 1 0 321.417 2.607 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](COC)[C@@H]2CCCO2)cc1 ZINC000278687812 535765125 /nfs/dbraw/zinc/76/51/25/535765125.db2.gz GTXCHLKUXZZPBO-QGTPRVQTSA-N 1 0 306.450 2.987 20 10 DFCDRO COc1cc(O)c(C[NH2+]CC[C@@H](O)c2ccccc2)cc1OC ZINC000289417119 536856164 /nfs/dbraw/zinc/85/61/64/536856164.db2.gz IQPNLNRIJBWHOG-OAHLLOKOSA-N 1 0 317.385 2.623 20 10 DFCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCCNC1=O ZINC000009976540 398375949 /nfs/dbraw/zinc/37/59/49/398375949.db2.gz MZTPQCZCORUTOV-GOSISDBHSA-N 1 0 315.461 2.777 20 10 DFCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000090410712 185294913 /nfs/dbraw/zinc/29/49/13/185294913.db2.gz ZSPIHICCCFEUKS-WBVHZDCISA-N 1 0 318.465 2.597 20 10 DFCDRO CCC[N@H+](CC(=O)NC)Cc1ccc(N2CCCCC2)cc1 ZINC000092381482 185314685 /nfs/dbraw/zinc/31/46/85/185314685.db2.gz KOFBHYDKMQRTCD-UHFFFAOYSA-N 1 0 303.450 2.635 20 10 DFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092707848 185335418 /nfs/dbraw/zinc/33/54/18/185335418.db2.gz QZMQMBJRZVZPMC-AWEZNQCLSA-N 1 0 320.433 2.529 20 10 DFCDRO Cc1cc(C)cc(N(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c1 ZINC000592501899 398436628 /nfs/dbraw/zinc/43/66/28/398436628.db2.gz NBNSIQFUCNWOHI-CQSZACIVSA-N 1 0 312.417 2.613 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000089682026 398463427 /nfs/dbraw/zinc/46/34/27/398463427.db2.gz PUDIMTGWZINARG-DNVCBOLYSA-N 1 0 317.477 2.657 20 10 DFCDRO CCCCOCCNC(=O)C[N@H+](CCC)Cc1ccccc1O ZINC000068973530 398541974 /nfs/dbraw/zinc/54/19/74/398541974.db2.gz XCCATIIZTRRJLP-UHFFFAOYSA-N 1 0 322.449 2.537 20 10 DFCDRO Cc1n[nH]c(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000092736758 398598052 /nfs/dbraw/zinc/59/80/52/398598052.db2.gz QACQGHTVUIXFAC-UHFFFAOYSA-N 1 0 306.797 2.852 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c1 ZINC000093363063 398634148 /nfs/dbraw/zinc/63/41/48/398634148.db2.gz YGGYVNPZWYZECF-MRXNPFEDSA-N 1 0 302.418 2.678 20 10 DFCDRO COc1cccc(NC(=O)CC[N@H+](C)Cc2ccccc2O)c1 ZINC000072629640 191204022 /nfs/dbraw/zinc/20/40/22/191204022.db2.gz WUCLDFVSCIPCFC-UHFFFAOYSA-N 1 0 314.385 2.861 20 10 DFCDRO CCOc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1O ZINC000236916905 202070767 /nfs/dbraw/zinc/07/07/67/202070767.db2.gz GFTURQDSEKNHRV-UHFFFAOYSA-N 1 0 301.342 2.809 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)C(C)C)CC2)cc1C ZINC000077441288 398904099 /nfs/dbraw/zinc/90/40/99/398904099.db2.gz OJBKQWQFMBLXGE-UHFFFAOYSA-N 1 0 304.434 2.746 20 10 DFCDRO CO[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000091772177 193104956 /nfs/dbraw/zinc/10/49/56/193104956.db2.gz JABOFDPUTOCIGY-GFCCVEGCSA-N 1 0 300.196 2.766 20 10 DFCDRO CCCOc1ccc(C[N@H+](CCO)Cc2cccnc2)c(O)c1 ZINC000093086227 193201827 /nfs/dbraw/zinc/20/18/27/193201827.db2.gz GUOLAHNRSZJDIV-UHFFFAOYSA-N 1 0 316.401 2.571 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](CCO)Cc2cccnc2)cc1 ZINC000093086424 193201954 /nfs/dbraw/zinc/20/19/54/193201954.db2.gz CLWPVCHQXFYDAB-UHFFFAOYSA-N 1 0 313.445 2.922 20 10 DFCDRO CC[C@@H]([NH2+][C@@H](CC)CO)c1cc(Br)ccc1O ZINC000020195320 182196286 /nfs/dbraw/zinc/19/62/86/182196286.db2.gz HIAQWZKKBXSANA-CMPLNLGQSA-N 1 0 302.212 2.966 20 10 DFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CCO)c1O ZINC000187227234 291662285 /nfs/dbraw/zinc/66/22/85/291662285.db2.gz MBFGIFMBRAXOKH-NXEZZACHSA-N 1 0 302.212 2.885 20 10 DFCDRO C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccccc1O ZINC000272919403 130075396 /nfs/dbraw/zinc/07/53/96/130075396.db2.gz XVYYXNIILHDMRL-OAHLLOKOSA-N 1 0 304.434 2.688 20 10 DFCDRO Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)c(C)n1-c1ccccc1C ZINC000273032954 130083395 /nfs/dbraw/zinc/08/33/95/130083395.db2.gz NGEFLJKKLFNIAG-INIZCTEOSA-N 1 0 311.429 2.742 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000273084314 130087892 /nfs/dbraw/zinc/08/78/92/130087892.db2.gz RJRPFOJUGUYMHQ-IAGOWNOFSA-N 1 0 307.365 2.781 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1F ZINC000273128306 130091610 /nfs/dbraw/zinc/09/16/10/130091610.db2.gz AZIMUQKAKHCDPV-HNNXBMFYSA-N 1 0 322.424 2.867 20 10 DFCDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000273429314 130120308 /nfs/dbraw/zinc/12/03/08/130120308.db2.gz VFRZDXHTVXJOMG-ZDUSSCGKSA-N 1 0 316.376 2.920 20 10 DFCDRO CCCN(CC[NH+](CC)CC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000274070166 130202956 /nfs/dbraw/zinc/20/29/56/130202956.db2.gz JZKRLNQUPNNZKS-CSKARUKUSA-N 1 0 320.433 2.691 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)[C@@]12CCCO2 ZINC000274215001 130217937 /nfs/dbraw/zinc/21/79/37/130217937.db2.gz NJICUPTZWMVGCF-IUHNQTRMSA-N 1 0 321.417 2.778 20 10 DFCDRO CC(C)OC1CC([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000274621420 130250575 /nfs/dbraw/zinc/25/05/75/130250575.db2.gz WQLWHCAKQGVMHL-UHFFFAOYSA-N 1 0 304.434 2.569 20 10 DFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCSC3)cc2F)CC1 ZINC000278554972 130701883 /nfs/dbraw/zinc/70/18/83/130701883.db2.gz VOLVBJRUONWZOP-CQSZACIVSA-N 1 0 324.465 2.630 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)c(O)c1 ZINC000284249012 131062899 /nfs/dbraw/zinc/06/28/99/131062899.db2.gz VNHDCLWTQGKGRA-HNNXBMFYSA-N 1 0 306.450 2.770 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1 ZINC000284502560 131086418 /nfs/dbraw/zinc/08/64/18/131086418.db2.gz CQWBVTRERWOEDK-QRVBRYPASA-N 1 0 318.461 2.505 20 10 DFCDRO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cc(C)ccc1O ZINC000284504636 131087354 /nfs/dbraw/zinc/08/73/54/131087354.db2.gz CSQSVQICQKGQKX-XYJFISCASA-N 1 0 305.418 2.717 20 10 DFCDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000285182158 131145419 /nfs/dbraw/zinc/14/54/19/131145419.db2.gz QFHGJXZERNWETM-HNNXBMFYSA-N 1 0 321.440 2.772 20 10 DFCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(F)cc1[O-] ZINC000285638833 131189395 /nfs/dbraw/zinc/18/93/95/131189395.db2.gz KUHMTLYLKXXLNZ-NSHDSACASA-N 1 0 315.410 2.539 20 10 DFCDRO C[C@@H](C[NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000285768841 131200863 /nfs/dbraw/zinc/20/08/63/131200863.db2.gz LPKLWHDMTRMQQZ-AWEZNQCLSA-N 1 0 303.450 2.667 20 10 DFCDRO C[C@@H](O)c1ncc(C[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000289229734 131367905 /nfs/dbraw/zinc/36/79/05/131367905.db2.gz KBTZWGYULFLGLN-GFCCVEGCSA-N 1 0 317.458 2.869 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncccc2N(C)C)c1 ZINC000289576711 131397164 /nfs/dbraw/zinc/39/71/64/131397164.db2.gz BGYJRGHYKSOFHI-LBPRGKRZSA-N 1 0 301.390 2.713 20 10 DFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000294896345 131869885 /nfs/dbraw/zinc/86/98/85/131869885.db2.gz DIZAGGRGHVYXDZ-LJQANCHMSA-N 1 0 318.461 2.816 20 10 DFCDRO Nc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000298569594 132068496 /nfs/dbraw/zinc/06/84/96/132068496.db2.gz IQABTVHONVGIQO-INIZCTEOSA-N 1 0 313.401 2.551 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000299393258 132103321 /nfs/dbraw/zinc/10/33/21/132103321.db2.gz VOPDPEKZRORETA-HNNXBMFYSA-N 1 0 320.481 2.672 20 10 DFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccccc2O)C1 ZINC000299491247 132108078 /nfs/dbraw/zinc/10/80/78/132108078.db2.gz JOFRJGLSSGIBRJ-GASCZTMLSA-N 1 0 319.449 2.559 20 10 DFCDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccccc1O ZINC000299511925 132108632 /nfs/dbraw/zinc/10/86/32/132108632.db2.gz NZNRQVCTMKOXRV-OAHLLOKOSA-N 1 0 319.449 2.846 20 10 DFCDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccccc1O ZINC000299511922 132108919 /nfs/dbraw/zinc/10/89/19/132108919.db2.gz NZNRQVCTMKOXRV-HNNXBMFYSA-N 1 0 319.449 2.846 20 10 DFCDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000293049087 543019001 /nfs/dbraw/zinc/01/90/01/543019001.db2.gz RIFFAKLBZYXQEB-QMTHXVAHSA-N 1 0 314.223 2.795 20 10 DFCDRO Cc1nnsc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000293772946 543021513 /nfs/dbraw/zinc/02/15/13/543021513.db2.gz SUYZADSEJJPPGT-GFCCVEGCSA-N 1 0 318.446 2.534 20 10 DFCDRO CCOC(=O)CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976561 425979310 /nfs/dbraw/zinc/97/93/10/425979310.db2.gz MWZXOEPKYBAGMN-MRXNPFEDSA-N 1 0 321.417 2.717 20 10 DFCDRO CN1CCc2cc(C[NH2+]C3CCN(c4ccccn4)CC3)ccc21 ZINC000126661373 426031320 /nfs/dbraw/zinc/03/13/20/426031320.db2.gz DYCRKVMRTHJLTO-UHFFFAOYSA-N 1 0 322.456 2.833 20 10 DFCDRO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)Cc1ccccc1O ZINC000109769647 426032673 /nfs/dbraw/zinc/03/26/73/426032673.db2.gz CGOHPOCRGMNSEJ-NPCAHTBFSA-N 1 0 304.434 2.907 20 10 DFCDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1O ZINC000109773182 426033121 /nfs/dbraw/zinc/03/31/21/426033121.db2.gz ILRWJWAAVHOVNM-UHFFFAOYSA-N 1 0 302.330 2.811 20 10 DFCDRO CCN1CCC[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000133027565 426171680 /nfs/dbraw/zinc/17/16/80/426171680.db2.gz JMHUZKXRAICESO-KRWDZBQOSA-N 1 0 317.477 2.738 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000078969094 426188173 /nfs/dbraw/zinc/18/81/73/426188173.db2.gz AGRTZANEICNXRC-UHFFFAOYSA-N 1 0 310.445 2.906 20 10 DFCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3cc[nH]n3)C2)cc1 ZINC000174621583 426261285 /nfs/dbraw/zinc/26/12/85/426261285.db2.gz DVUYJYACKXMODC-CYBMUJFWSA-N 1 0 322.359 2.770 20 10 DFCDRO CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccc(N(C)C)cc1 ZINC000089636620 426300156 /nfs/dbraw/zinc/30/01/56/426300156.db2.gz IVROLALFKPNLAJ-BBRMVZONSA-N 1 0 312.479 2.617 20 10 DFCDRO CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccc(N(C)C)cc1 ZINC000089636625 426300456 /nfs/dbraw/zinc/30/04/56/426300456.db2.gz IVROLALFKPNLAJ-CZUORRHYSA-N 1 0 312.479 2.617 20 10 DFCDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000151069229 426276170 /nfs/dbraw/zinc/27/61/70/426276170.db2.gz FYCUFIMIFDMIAX-HNNXBMFYSA-N 1 0 314.433 2.590 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091978958 426345746 /nfs/dbraw/zinc/34/57/46/426345746.db2.gz NENDGIKVEAWEKD-OALUTQOASA-N 1 0 316.445 2.667 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Nc3ccccc3)C1)OCO2 ZINC000092758273 426351773 /nfs/dbraw/zinc/35/17/73/426351773.db2.gz OGHNBQACSFAGFA-OAHLLOKOSA-N 1 0 312.369 2.807 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)c(O)c1 ZINC000093813904 426357449 /nfs/dbraw/zinc/35/74/49/426357449.db2.gz XUSKZFUTNNZYNC-KRWDZBQOSA-N 1 0 307.390 2.566 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1 ZINC000093741416 426358492 /nfs/dbraw/zinc/35/84/92/426358492.db2.gz HHOYWMHZVPEDIO-UHFFFAOYSA-N 1 0 315.461 2.730 20 10 DFCDRO CCCNC(=O)C1([NH2+]Cc2cc(F)ccc2O)CCCCC1 ZINC000154542186 426444517 /nfs/dbraw/zinc/44/45/17/426444517.db2.gz RIPDTQHQDDCPIK-UHFFFAOYSA-N 1 0 308.397 2.850 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1 ZINC000154691314 426450428 /nfs/dbraw/zinc/45/04/28/426450428.db2.gz UZDSSKHYLFXWAR-HRAATJIYSA-N 1 0 303.427 2.910 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1C ZINC000123691311 426449478 /nfs/dbraw/zinc/44/94/78/426449478.db2.gz RHWPOAJFSCDCIS-OCCSQVGLSA-N 1 0 303.324 2.897 20 10 DFCDRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000186149808 426488646 /nfs/dbraw/zinc/48/86/46/426488646.db2.gz POCSEYYMNGVLDP-CQSZACIVSA-N 1 0 319.445 2.711 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(C)cc1O ZINC000280146919 426507283 /nfs/dbraw/zinc/50/72/83/426507283.db2.gz PYDWLSACSHCOPN-HOCLYGCPSA-N 1 0 321.417 2.663 20 10 DFCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186356337 426513215 /nfs/dbraw/zinc/51/32/15/426513215.db2.gz ZMOYUBFWIVVBMQ-ZBFHGGJFSA-N 1 0 322.449 2.529 20 10 DFCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)C[C@]2(CCOC2)O1 ZINC000280186908 426517421 /nfs/dbraw/zinc/51/74/21/426517421.db2.gz HCMKSQUANVZCSD-INIZCTEOSA-N 1 0 311.809 2.816 20 10 DFCDRO CC[C@@H]([NH2+]C1CCN(CCOC)CC1)c1ccc(C)cc1O ZINC000280142341 426505210 /nfs/dbraw/zinc/50/52/10/426505210.db2.gz PSNKEACXLZSTNV-QGZVFWFLSA-N 1 0 306.450 2.852 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000280400506 426566415 /nfs/dbraw/zinc/56/64/15/426566415.db2.gz XSDPSLZUDRXRGX-AUUYWEPGSA-N 1 0 313.397 2.925 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/C[NH+](C)C ZINC000264624566 426575402 /nfs/dbraw/zinc/57/54/02/426575402.db2.gz MDJPUYLFWHPACU-BQYQJAHWSA-N 1 0 315.461 2.753 20 10 DFCDRO Cc1ccc([C@H]([NH3+])C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000280448165 426577236 /nfs/dbraw/zinc/57/72/36/426577236.db2.gz CNLQGUCKEITRNB-IBGZPJMESA-N 1 0 323.440 2.911 20 10 DFCDRO CC(C)CC[C@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000280450264 426579201 /nfs/dbraw/zinc/57/92/01/426579201.db2.gz KVGJZGSATHOXQP-IBGZPJMESA-N 1 0 320.477 2.752 20 10 DFCDRO C[C@H]([NH2+]CC(C)(C)CCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000178167473 426579662 /nfs/dbraw/zinc/57/96/62/426579662.db2.gz CQRJKPMSGBUAAJ-AWEZNQCLSA-N 1 0 324.440 2.722 20 10 DFCDRO CC(C)OCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178190904 426583882 /nfs/dbraw/zinc/58/38/82/426583882.db2.gz MNINMAAIIGFJQJ-MRXNPFEDSA-N 1 0 306.450 2.989 20 10 DFCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280529138 426592388 /nfs/dbraw/zinc/59/23/88/426592388.db2.gz RMAMAJFBAKYFOA-XHBSWPGZSA-N 1 0 311.809 2.814 20 10 DFCDRO Cc1cnn(C)c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000289185088 426600338 /nfs/dbraw/zinc/60/03/38/426600338.db2.gz TYIOMSHOSNMOHX-INIZCTEOSA-N 1 0 315.417 2.615 20 10 DFCDRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000186865202 426600681 /nfs/dbraw/zinc/60/06/81/426600681.db2.gz AIFLTOQLWPFVCM-NSHDSACASA-N 1 0 319.854 2.911 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC000280584348 426606114 /nfs/dbraw/zinc/60/61/14/426606114.db2.gz WYUZXUPALRHGNC-DEYYWGMASA-N 1 0 321.417 2.559 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c[nH+]ccc1N ZINC000187167839 426634707 /nfs/dbraw/zinc/63/47/07/426634707.db2.gz FMEYVGXRDFUYSU-UHFFFAOYSA-N 1 0 324.428 2.926 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CCO)C(C)(C)C)c1O ZINC000231075074 426651665 /nfs/dbraw/zinc/65/16/65/426651665.db2.gz QZLSJHKLJOMIDG-ZDUSSCGKSA-N 1 0 301.814 2.941 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(C)n1-c1ccccc1C ZINC000178584268 426657635 /nfs/dbraw/zinc/65/76/35/426657635.db2.gz OYZKIDMCAXSORQ-MRXNPFEDSA-N 1 0 311.429 2.823 20 10 DFCDRO COc1ccc(O)c(C[N@H+](C)CCCN(C)Cc2ccco2)c1 ZINC000289814532 426675351 /nfs/dbraw/zinc/67/53/51/426675351.db2.gz NTUYLYZNZBZRSX-UHFFFAOYSA-N 1 0 318.417 2.948 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289897874 426676752 /nfs/dbraw/zinc/67/67/52/426676752.db2.gz WRFPQRLLDVYBOL-CHWSQXEVSA-N 1 0 303.324 2.693 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1ccc(C)cc1O ZINC000280888436 426677817 /nfs/dbraw/zinc/67/78/17/426677817.db2.gz DZWUUWCMEBAAPA-DOTOQJQBSA-N 1 0 304.434 3.000 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CC3CCOCC3)CC2)cc1 ZINC000237259671 426689780 /nfs/dbraw/zinc/68/97/80/426689780.db2.gz LMWTUFFVIGGMNY-UHFFFAOYSA-N 1 0 304.434 2.680 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)cc1F ZINC000281150440 426702959 /nfs/dbraw/zinc/70/29/59/426702959.db2.gz PAHHCIZSZJWXTC-SFHVURJKSA-N 1 0 321.440 2.630 20 10 DFCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Cl)ccc1O ZINC000281184250 426705711 /nfs/dbraw/zinc/70/57/11/426705711.db2.gz XCDAFIMLKQETEG-DGIBIBHMSA-N 1 0 301.839 2.997 20 10 DFCDRO Cc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1O ZINC000281239425 426706996 /nfs/dbraw/zinc/70/69/96/426706996.db2.gz LODRHSQROQJXSA-UHFFFAOYSA-N 1 0 303.431 2.916 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c(O)c1C ZINC000280943188 426692148 /nfs/dbraw/zinc/69/21/48/426692148.db2.gz JAFSUGOEFRUCMS-ZDUSSCGKSA-N 1 0 311.447 2.627 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)cc1 ZINC000280975772 426698624 /nfs/dbraw/zinc/69/86/24/426698624.db2.gz LPINNOVKXSYDBV-CQSZACIVSA-N 1 0 324.490 2.761 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1OC ZINC000290486963 426775887 /nfs/dbraw/zinc/77/58/87/426775887.db2.gz OKQKSGBGTHVKGR-MDASCCDHSA-N 1 0 311.381 2.837 20 10 DFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246201522 426808557 /nfs/dbraw/zinc/80/85/57/426808557.db2.gz JDCVSHPLUADGQW-MOPGFXCFSA-N 1 0 313.397 2.925 20 10 DFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179465749 426792175 /nfs/dbraw/zinc/79/21/75/426792175.db2.gz COLVUIVAAREVMC-OAHLLOKOSA-N 1 0 308.385 2.974 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000282639574 426920386 /nfs/dbraw/zinc/92/03/86/426920386.db2.gz GXJIROVFWUSLAP-QGZVFWFLSA-N 1 0 315.461 2.824 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(O)c1 ZINC000247287866 426923339 /nfs/dbraw/zinc/92/33/39/426923339.db2.gz YYUTVSIOUWCEPO-MSOLQXFVSA-N 1 0 321.417 2.561 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000290879477 426862517 /nfs/dbraw/zinc/86/25/17/426862517.db2.gz KRXPAWVNRNDTIS-ZDUSSCGKSA-N 1 0 307.781 2.698 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(F)ccc1O ZINC000282957866 426933037 /nfs/dbraw/zinc/93/30/37/426933037.db2.gz CIIZDWBBGDKVHB-OGHNNQOOSA-N 1 0 323.408 2.750 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(F)ccc1O ZINC000282957860 426934833 /nfs/dbraw/zinc/93/48/33/426934833.db2.gz CIIZDWBBGDKVHB-GDZNZVCISA-N 1 0 323.408 2.750 20 10 DFCDRO CCOC(CC[NH2+]Cc1cc(Cl)cc(OC)c1O)OCC ZINC000276184002 427000011 /nfs/dbraw/zinc/00/00/11/427000011.db2.gz LHRVQXYWUHSTHR-UHFFFAOYSA-N 1 0 317.813 2.933 20 10 DFCDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])cn1 ZINC000296040952 427054283 /nfs/dbraw/zinc/05/42/83/427054283.db2.gz UJHNDVIECNWVFE-NEPJUHHUSA-N 1 0 317.389 2.807 20 10 DFCDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296080795 427068905 /nfs/dbraw/zinc/06/89/05/427068905.db2.gz SNHXKMDIBQFBJI-INIZCTEOSA-N 1 0 310.397 2.628 20 10 DFCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CCC=CO3)CC2)cc1 ZINC000248995594 427074213 /nfs/dbraw/zinc/07/42/13/427074213.db2.gz OWXVXKKGBGGYHA-GOSISDBHSA-N 1 0 302.418 2.900 20 10 DFCDRO Cc1cc(C(=O)N[C@H](C)CCCC[NH3+])c(C)n1-c1ccccn1 ZINC000292058187 427074811 /nfs/dbraw/zinc/07/48/11/427074811.db2.gz JWSKBKRHQHIOMA-CYBMUJFWSA-N 1 0 314.433 2.736 20 10 DFCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268743077 427109330 /nfs/dbraw/zinc/10/93/30/427109330.db2.gz SYLNGBQECGDLCI-GJZGRUSLSA-N 1 0 303.450 2.852 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)cc1 ZINC000268954334 427139044 /nfs/dbraw/zinc/13/90/44/427139044.db2.gz WHJFKZRRNIGDOA-AWEZNQCLSA-N 1 0 303.450 2.839 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(CCOC)C2)cc1 ZINC000268919694 427139095 /nfs/dbraw/zinc/13/90/95/427139095.db2.gz OOOXKEAXVQUEPM-NVXWUHKLSA-N 1 0 305.466 2.514 20 10 DFCDRO C[C@H]([NH2+]CCc1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000269029744 427145525 /nfs/dbraw/zinc/14/55/25/427145525.db2.gz UAHWXWXNWBZQCS-INIZCTEOSA-N 1 0 311.429 2.812 20 10 DFCDRO COc1cc(Cl)cc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1O ZINC000252847652 427196534 /nfs/dbraw/zinc/19/65/34/427196534.db2.gz HLZQKKJXHLQPAR-AWEZNQCLSA-N 1 0 310.825 2.724 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296534105 427212860 /nfs/dbraw/zinc/21/28/60/427212860.db2.gz QQCVAQXVIAOQSU-SUMWQHHRSA-N 1 0 322.424 2.880 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293093520 427214915 /nfs/dbraw/zinc/21/49/15/427214915.db2.gz XEQAGGPTIYODED-GOSISDBHSA-N 1 0 320.408 2.652 20 10 DFCDRO COCCOC1(C[NH2+][C@H](C)c2ccc(C)cc2O)CCOCC1 ZINC000296617344 427226696 /nfs/dbraw/zinc/22/66/96/427226696.db2.gz WQVNBTKEFDJILB-OAHLLOKOSA-N 1 0 323.433 2.563 20 10 DFCDRO CCCC[N@H+](Cc1ccccc1O)Cc1nccnc1OC ZINC000296890381 427265169 /nfs/dbraw/zinc/26/51/69/427265169.db2.gz QHVNJTMIIQVRFG-UHFFFAOYSA-N 1 0 301.390 2.993 20 10 DFCDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000277656378 427275287 /nfs/dbraw/zinc/27/52/87/427275287.db2.gz DZPBHSMITLWCIS-JOYOIKCWSA-N 1 0 300.196 2.669 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccccc1O ZINC000183498079 427280952 /nfs/dbraw/zinc/28/09/52/427280952.db2.gz FFZJNQZDQCDMEF-VXGBXAGGSA-N 1 0 323.339 2.761 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2cccnc2)cc1OC ZINC000183719469 427327601 /nfs/dbraw/zinc/32/76/01/427327601.db2.gz DOXOITZGTIKQEQ-GFCCVEGCSA-N 1 0 302.374 2.997 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1F ZINC000270364164 427335009 /nfs/dbraw/zinc/33/50/09/427335009.db2.gz YJNSOPFYNGBMJU-AWEZNQCLSA-N 1 0 321.440 2.678 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277705222 427290610 /nfs/dbraw/zinc/29/06/10/427290610.db2.gz RSSNVDOSQIEGCJ-UHFFFAOYSA-N 1 0 318.808 2.594 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cc(Br)ccc1O ZINC000293327453 427290672 /nfs/dbraw/zinc/29/06/72/427290672.db2.gz FVUBRLUWZKBOPO-KBVBSXBZSA-N 1 0 300.196 2.983 20 10 DFCDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000270631823 427364402 /nfs/dbraw/zinc/36/44/02/427364402.db2.gz HTGRZVGBBYNXDV-BLLLJJGKSA-N 1 0 307.390 2.804 20 10 DFCDRO NC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271003270 427367598 /nfs/dbraw/zinc/36/75/98/427367598.db2.gz MCEAOMACQUCAOR-UHFFFAOYSA-N 1 0 310.397 2.757 20 10 DFCDRO CN1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)C1=O ZINC000271207638 427448958 /nfs/dbraw/zinc/44/89/58/427448958.db2.gz SJHMGVWYWMAAIH-QGZVFWFLSA-N 1 0 310.397 2.722 20 10 DFCDRO CC[C@H]([NH2+][C@H](COC)[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000278806025 427461614 /nfs/dbraw/zinc/46/16/14/427461614.db2.gz NENMRTLOOGCHJP-RCCFBDPRSA-N 1 0 306.450 2.987 20 10 DFCDRO C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(F)ccc1O ZINC000278814859 427462748 /nfs/dbraw/zinc/46/27/48/427462748.db2.gz ZUZKSFDYOZFXHZ-KBPBESRZSA-N 1 0 310.413 2.683 20 10 DFCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000278315811 427426922 /nfs/dbraw/zinc/42/69/22/427426922.db2.gz FOZHIFFKLHTFDA-RNCFNFMXSA-N 1 0 307.287 2.667 20 10 DFCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297674753 427428107 /nfs/dbraw/zinc/42/81/07/427428107.db2.gz LGVRCSAYCWHRST-KBPBESRZSA-N 1 0 318.417 2.979 20 10 DFCDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000278306749 427428289 /nfs/dbraw/zinc/42/82/89/427428289.db2.gz DWTTVJYKJFXOEH-JSGCOSHPSA-N 1 0 306.406 2.737 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278428493 427439398 /nfs/dbraw/zinc/43/93/98/427439398.db2.gz JDSRYDCGMOTREG-LSDHHAIUSA-N 1 0 314.433 2.754 20 10 DFCDRO COC(=O)C[C@](C)([NH2+]Cc1cccc(C)c1O)c1ccncc1 ZINC000191905038 427441344 /nfs/dbraw/zinc/44/13/44/427441344.db2.gz BDOCEQXBYHDVCW-SFHVURJKSA-N 1 0 314.385 2.664 20 10 DFCDRO CCc1cccnc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278533412 427442352 /nfs/dbraw/zinc/44/23/52/427442352.db2.gz VNALDCOGAAAEAM-UHFFFAOYSA-N 1 0 303.318 2.879 20 10 DFCDRO CC[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000278536915 427443165 /nfs/dbraw/zinc/44/31/65/427443165.db2.gz UQUICPRKEWVCDL-SFHVURJKSA-N 1 0 317.477 2.658 20 10 DFCDRO COc1c([O-])c(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)ccc1[N+](=O)[O-] ZINC000278507267 427444175 /nfs/dbraw/zinc/44/41/75/427444175.db2.gz PBRWTZUSPOADFP-GFCCVEGCSA-N 1 0 324.377 2.745 20 10 DFCDRO COc1c(O)c(C[NH2+][C@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000278945982 427510823 /nfs/dbraw/zinc/51/08/23/427510823.db2.gz YODPTPQCXJOLCF-SNVBAGLBSA-N 1 0 303.318 2.555 20 10 DFCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cccc(Cl)c1[O-] ZINC000287096285 427555665 /nfs/dbraw/zinc/55/56/65/427555665.db2.gz PTKTZEAXJWVAST-JOYOIKCWSA-N 1 0 302.777 2.561 20 10 DFCDRO CC(C)C(=O)NCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263694078 427544910 /nfs/dbraw/zinc/54/49/10/427544910.db2.gz PSVFHQKMVOYKLS-UHFFFAOYSA-N 1 0 312.413 2.921 20 10 DFCDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000184838002 427550179 /nfs/dbraw/zinc/55/01/79/427550179.db2.gz PHAGLGBQQXJFDU-OAHLLOKOSA-N 1 0 318.461 2.644 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000192843191 427622345 /nfs/dbraw/zinc/62/23/45/427622345.db2.gz GQQLLAHWAXLEHI-CQSZACIVSA-N 1 0 304.434 2.998 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c(O)c1 ZINC000184955875 427569177 /nfs/dbraw/zinc/56/91/77/427569177.db2.gz XGISRQRIMXEQCE-AWEZNQCLSA-N 1 0 314.433 2.912 20 10 DFCDRO Cc1cccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000271793970 427585113 /nfs/dbraw/zinc/58/51/13/427585113.db2.gz HISKQWJSOCGLEM-MRXNPFEDSA-N 1 0 310.397 2.875 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000271771989 427585146 /nfs/dbraw/zinc/58/51/46/427585146.db2.gz DJJKQTCMKAQFAG-GTNSWQLSSA-N 1 0 305.349 2.924 20 10 DFCDRO COc1cc(O)c(C[NH2+]CCCc2nccs2)cc1OC ZINC000271979134 427606467 /nfs/dbraw/zinc/60/64/67/427606467.db2.gz LXBGNZDBADEPTG-UHFFFAOYSA-N 1 0 308.403 2.588 20 10 DFCDRO COCCCN1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185314776 427632809 /nfs/dbraw/zinc/63/28/09/427632809.db2.gz RMBWSYGIHCSAER-CYBMUJFWSA-N 1 0 310.413 2.683 20 10 DFCDRO Cc1cc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)ccc1N(C)C ZINC000294711428 427649199 /nfs/dbraw/zinc/64/91/99/427649199.db2.gz VDSLSTFCOZOVHR-UHFFFAOYSA-N 1 0 315.461 2.505 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294686000 427649583 /nfs/dbraw/zinc/64/95/83/427649583.db2.gz BYVZOLHYLZWBRB-CQSZACIVSA-N 1 0 304.434 2.814 20 10 DFCDRO C[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)CN1CCOCC1 ZINC000185504699 427664012 /nfs/dbraw/zinc/66/40/12/427664012.db2.gz VPXWTQNHRUAITK-CHWSQXEVSA-N 1 0 312.841 2.665 20 10 DFCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000295002137 427670139 /nfs/dbraw/zinc/67/01/39/427670139.db2.gz LMWXUTPFRWRUMY-NVXWUHKLSA-N 1 0 302.349 2.936 20 10 DFCDRO COCCCN(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185553672 427672049 /nfs/dbraw/zinc/67/20/49/427672049.db2.gz IKYHSKQPMJYCNG-LBPRGKRZSA-N 1 0 300.830 2.665 20 10 DFCDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185802279 427709671 /nfs/dbraw/zinc/70/96/71/427709671.db2.gz QDDWMHHEMIYVQC-MWLCHTKSSA-N 1 0 302.212 2.966 20 10 DFCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185866198 427720826 /nfs/dbraw/zinc/72/08/26/427720826.db2.gz VZOCSJBKHYTEFG-LBPRGKRZSA-N 1 0 303.406 2.856 20 10 DFCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCC=CO3)CC2)cc1F ZINC000194064458 427728325 /nfs/dbraw/zinc/72/83/25/427728325.db2.gz FKNWTECPLRGELC-HNNXBMFYSA-N 1 0 306.381 2.649 20 10 DFCDRO OCCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000194530987 427747633 /nfs/dbraw/zinc/74/76/33/427747633.db2.gz XGSLZTAIKVYFCD-UHFFFAOYSA-N 1 0 301.386 2.833 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@]2(CCOC2)O1 ZINC000369545193 427995647 /nfs/dbraw/zinc/99/56/47/427995647.db2.gz DOEBFDFEHZWQOP-GDBMZVCRSA-N 1 0 311.809 2.816 20 10 DFCDRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000370073882 428128277 /nfs/dbraw/zinc/12/82/77/428128277.db2.gz ROWUJXJOANKPKT-LBPRGKRZSA-N 1 0 304.369 2.522 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000370728450 428285691 /nfs/dbraw/zinc/28/56/91/428285691.db2.gz AUNWIWUOVCJLDB-NSHDSACASA-N 1 0 322.206 2.525 20 10 DFCDRO Cc1occc1C(=O)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000370769450 428297249 /nfs/dbraw/zinc/29/72/49/428297249.db2.gz BJWDSCPJBXXXBH-UHFFFAOYSA-N 1 0 314.385 2.688 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000360443705 428301878 /nfs/dbraw/zinc/30/18/78/428301878.db2.gz DBBJMSXZYAQWDH-IBGZPJMESA-N 1 0 314.404 2.985 20 10 DFCDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)n1 ZINC000371415693 428389158 /nfs/dbraw/zinc/38/91/58/428389158.db2.gz CZXVORWVVQDOIO-OAHLLOKOSA-N 1 0 320.824 2.919 20 10 DFCDRO Oc1ccc(Cl)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371402924 428389590 /nfs/dbraw/zinc/38/95/90/428389590.db2.gz FPYIURFMEWVYFC-KBMXLJTQSA-N 1 0 306.837 2.962 20 10 DFCDRO COc1ccc(O)c(CN2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1 ZINC000371419581 428390018 /nfs/dbraw/zinc/39/00/18/428390018.db2.gz VJIMVBSLVJSTSI-AWEZNQCLSA-N 1 0 304.434 2.850 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000371875496 428406607 /nfs/dbraw/zinc/40/66/07/428406607.db2.gz CFNFAHQJDHAKLL-CYBMUJFWSA-N 1 0 313.397 2.581 20 10 DFCDRO Oc1cc2c(cc1C[N@H+]1CC[C@@H](O)c3ccccc3C1)OCO2 ZINC000371877515 428406647 /nfs/dbraw/zinc/40/66/47/428406647.db2.gz WVPANIIMWCAOAU-OAHLLOKOSA-N 1 0 313.353 2.560 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2N2CCOCC2)c(O)c1 ZINC000371870276 428407051 /nfs/dbraw/zinc/40/70/51/428407051.db2.gz OXWJLLLDYPOIDH-JZXOWHBKSA-N 1 0 318.461 2.852 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCN2C)c1O ZINC000372417901 428445938 /nfs/dbraw/zinc/44/59/38/428445938.db2.gz YZZSDAVUYBBFOJ-CVEARBPZSA-N 1 0 304.434 2.850 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3CCO)CC2)cc1 ZINC000372495932 428456081 /nfs/dbraw/zinc/45/60/81/428456081.db2.gz NRYIUKUDZUBKGR-HNAYVOBHSA-N 1 0 318.461 2.805 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000372597437 428470103 /nfs/dbraw/zinc/47/01/03/428470103.db2.gz ZFQTYWPMCZJWSJ-ZIAGYGMSSA-N 1 0 301.390 2.995 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000372721222 428492776 /nfs/dbraw/zinc/49/27/76/428492776.db2.gz VUBVGQFHTLDYNH-AWEZNQCLSA-N 1 0 321.417 2.733 20 10 DFCDRO C[C@@H]1CC2(CCC2)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000373017612 428511591 /nfs/dbraw/zinc/51/15/91/428511591.db2.gz DLLHVKRAOODLDH-OAHLLOKOSA-N 1 0 315.461 2.633 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)C3CCC3)CC2)cc1 ZINC000362099847 428621668 /nfs/dbraw/zinc/62/16/68/428621668.db2.gz UCAZVRJOOUUMMM-UHFFFAOYSA-N 1 0 315.461 2.633 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373979275 428658188 /nfs/dbraw/zinc/65/81/88/428658188.db2.gz WDZFPLGGDDAATK-PBFPGSCMSA-N 1 0 309.381 2.690 20 10 DFCDRO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](C)O2 ZINC000374014462 428660080 /nfs/dbraw/zinc/66/00/80/428660080.db2.gz OBRJUSJFVFVPDK-JTDSTZFVSA-N 1 0 318.461 2.911 20 10 DFCDRO COc1ccc(O)c(CN2CCc3cnc(C(C)C)nc3C2)c1 ZINC000362235366 428671073 /nfs/dbraw/zinc/67/10/73/428671073.db2.gz KLUWLGSUSMFOHL-UHFFFAOYSA-N 1 0 313.401 2.873 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000362349708 428715051 /nfs/dbraw/zinc/71/50/51/428715051.db2.gz BZNUDNUYUWEATC-UHFFFAOYSA-N 1 0 317.477 2.833 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)c(O)c1C ZINC000374514803 428690939 /nfs/dbraw/zinc/69/09/39/428690939.db2.gz PTWDDNUWGILKJJ-IMJJTQAJSA-N 1 0 302.418 2.813 20 10 DFCDRO Cn1ccnc1CC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000374898307 428779603 /nfs/dbraw/zinc/77/96/03/428779603.db2.gz QYXMJBIWZYLMPT-UHFFFAOYSA-N 1 0 303.381 2.720 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(F)ccc1O ZINC000363855233 428999535 /nfs/dbraw/zinc/99/95/35/428999535.db2.gz NDFWXRLUDUVYNI-LBPRGKRZSA-N 1 0 312.348 2.963 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1O ZINC000363868537 429131563 /nfs/dbraw/zinc/13/15/63/429131563.db2.gz NUSDANAMTSHTGH-WCQYABFASA-N 1 0 320.824 2.709 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000364074912 429167836 /nfs/dbraw/zinc/16/78/36/429167836.db2.gz UUEOLFNAGHWAQF-INIZCTEOSA-N 1 0 302.418 2.678 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3cn[nH]c3)CC2)c1O ZINC000365906586 429398829 /nfs/dbraw/zinc/39/88/29/429398829.db2.gz NHCDNXRVANGHLL-UHFFFAOYSA-N 1 0 317.364 2.837 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC000280300631 276019718 /nfs/dbraw/zinc/01/97/18/276019718.db2.gz OWMJMOBTBCZUBL-RDTXWAMCSA-N 1 0 321.417 2.561 20 10 DFCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCn2ccnc2C1 ZINC000367667078 429695378 /nfs/dbraw/zinc/69/53/78/429695378.db2.gz AAMTXQUMKPXRKL-GFCCVEGCSA-N 1 0 305.809 2.937 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c(O)c1 ZINC000368136249 429794955 /nfs/dbraw/zinc/79/49/55/429794955.db2.gz UGDBREWEWAHEEB-OAHLLOKOSA-N 1 0 315.417 2.904 20 10 DFCDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc(Br)ccc1O ZINC000527766690 429795177 /nfs/dbraw/zinc/79/51/77/429795177.db2.gz PMJZQXXRKCWEDD-YGRLFVJLSA-N 1 0 312.207 2.812 20 10 DFCDRO C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(F)ccc1O ZINC000528013369 429836059 /nfs/dbraw/zinc/83/60/59/429836059.db2.gz CPSDWVJBAKMMIL-GFCCVEGCSA-N 1 0 308.397 2.831 20 10 DFCDRO CC[C@@H]([NH2+]CC1COC1)c1cc(Br)ccc1O ZINC000528029643 429839089 /nfs/dbraw/zinc/83/90/89/429839089.db2.gz ZWNCQDZSQVGXDZ-GFCCVEGCSA-N 1 0 300.196 2.842 20 10 DFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC12CCOCC2 ZINC000368475708 429854928 /nfs/dbraw/zinc/85/49/28/429854928.db2.gz VSPSLOHSULOCLZ-UHFFFAOYSA-N 1 0 312.207 2.910 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2cnn(C)c2)C1 ZINC000368725634 429890756 /nfs/dbraw/zinc/89/07/56/429890756.db2.gz WXZSZJJLLKVLDL-RDJZCZTQSA-N 1 0 301.390 2.650 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3c[nH]cn3)CC2)c1O ZINC000369349886 429929045 /nfs/dbraw/zinc/92/90/45/429929045.db2.gz PAFKFRPAVXWYJL-UHFFFAOYSA-N 1 0 317.364 2.837 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000369291504 429922519 /nfs/dbraw/zinc/92/25/19/429922519.db2.gz AKRRDWDDPIJDNW-QGZVFWFLSA-N 1 0 310.397 2.591 20 10 DFCDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000159303039 277213651 /nfs/dbraw/zinc/21/36/51/277213651.db2.gz PFGCILZKHSGEDV-KRWDZBQOSA-N 1 0 319.493 2.906 20 10 DFCDRO COc1cc(O)c(C[NH2+]Cc2ccccc2N(C)C)cc1OC ZINC000271988390 277833531 /nfs/dbraw/zinc/83/35/31/277833531.db2.gz PSBBAVPGAVONCJ-UHFFFAOYSA-N 1 0 316.401 2.765 20 10 DFCDRO COc1cccc(CN2CCC[N@@H+](C3CCCC3)CC2)c1O ZINC000179771149 278010194 /nfs/dbraw/zinc/01/01/94/278010194.db2.gz UUGIFYRPDYUUQO-UHFFFAOYSA-N 1 0 304.434 2.851 20 10 DFCDRO C[C@H]([NH2+]CCCN1CCOCC1)c1ccc2ccccc2c1O ZINC000192933778 278258390 /nfs/dbraw/zinc/25/83/90/278258390.db2.gz MMRXZJRKAFIFAK-HNNXBMFYSA-N 1 0 314.429 2.918 20 10 DFCDRO C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCc3cccc(O)c32)C[C@H](C)O1 ZINC000295872225 288067711 /nfs/dbraw/zinc/06/77/11/288067711.db2.gz HDVIYBWPKFNXIF-IJEWVQPXSA-N 1 0 318.461 2.857 20 10 DFCDRO C[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)c2ccccc2NC1=O ZINC000662249488 431013087 /nfs/dbraw/zinc/01/30/87/431013087.db2.gz VNDBEZCWNJOZEF-CQSZACIVSA-N 1 0 321.424 2.927 20 10 DFCDRO COc1ccc2c(c1)CCN2C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662549702 431114054 /nfs/dbraw/zinc/11/40/54/431114054.db2.gz VKSJLNMLRSFMQG-UHFFFAOYSA-N 1 0 308.381 2.544 20 10 DFCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCc2cc(F)c(F)cc21 ZINC000662482212 431093685 /nfs/dbraw/zinc/09/36/85/431093685.db2.gz UUIXMQCAEQNFSH-UHFFFAOYSA-N 1 0 314.335 2.813 20 10 DFCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000296645280 279025057 /nfs/dbraw/zinc/02/50/57/279025057.db2.gz YLHAEDWTLVZVPH-PBHICJAKSA-N 1 0 305.466 2.906 20 10 DFCDRO C[C@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc2O1 ZINC000662594357 431128430 /nfs/dbraw/zinc/12/84/30/431128430.db2.gz QBRSQDIOUKARPV-ZDUSSCGKSA-N 1 0 308.381 2.760 20 10 DFCDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280444473 279375979 /nfs/dbraw/zinc/37/59/79/279375979.db2.gz YKECCDWWBFJDOC-UZJPJQLHSA-N 1 0 322.396 2.628 20 10 DFCDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152976567 280153453 /nfs/dbraw/zinc/15/34/53/280153453.db2.gz ZLJOLJIQLJCEDR-ZFWWWQNUSA-N 1 0 310.413 2.738 20 10 DFCDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccccc3O)CC2)n[nH]1 ZINC000275847398 301332108 /nfs/dbraw/zinc/33/21/08/301332108.db2.gz HSNBDGGQMNBXBZ-CYBMUJFWSA-N 1 0 300.406 2.743 20 10 DFCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc2ccccc2c1O ZINC000278845507 332137915 /nfs/dbraw/zinc/13/79/15/332137915.db2.gz PZIQYDMIKZUEPW-LXIYXOSZSA-N 1 0 301.386 2.736 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000368038420 332202946 /nfs/dbraw/zinc/20/29/46/332202946.db2.gz COTYPQDLKWRYEI-HNNXBMFYSA-N 1 0 300.406 2.697 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)c1cc(F)ccc1O ZINC000293315930 335103767 /nfs/dbraw/zinc/10/37/67/335103767.db2.gz FKANPFGVGWVDJL-WDBKCZKBSA-N 1 0 315.410 2.538 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1O ZINC000293945758 335115981 /nfs/dbraw/zinc/11/59/81/335115981.db2.gz OQMBSUSUZAYROY-AWEZNQCLSA-N 1 0 311.809 2.934 20 10 DFCDRO COc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1O ZINC000293782518 335117157 /nfs/dbraw/zinc/11/71/57/335117157.db2.gz ZHYFEUXPCSODFZ-KRWDZBQOSA-N 1 0 303.402 2.792 20 10 DFCDRO Cc1cc(C[N@H+](CCCO)Cc2ccccn2)ccc1N(C)C ZINC000294033831 335117263 /nfs/dbraw/zinc/11/72/63/335117263.db2.gz IGMSBKBTCNJHLL-UHFFFAOYSA-N 1 0 313.445 2.841 20 10 DFCDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295180748 335130620 /nfs/dbraw/zinc/13/06/20/335130620.db2.gz IPGPTYOAFMNHFC-INIZCTEOSA-N 1 0 320.477 2.895 20 10 DFCDRO CC[C@H](CO)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000295078597 335131576 /nfs/dbraw/zinc/13/15/76/335131576.db2.gz HZDZTIXZYNLXEV-GFCCVEGCSA-N 1 0 302.212 2.666 20 10 DFCDRO O=C1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1c1ccccc1 ZINC000295799694 335138170 /nfs/dbraw/zinc/13/81/70/335138170.db2.gz CAKRBEKQEIQPCK-GDBMZVCRSA-N 1 0 308.381 2.775 20 10 DFCDRO COc1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1O ZINC000023281675 333401370 /nfs/dbraw/zinc/40/13/70/333401370.db2.gz AWKFUBJDCLSLQE-UHFFFAOYSA-N 1 0 316.376 2.862 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Br)ccc1O ZINC000296035354 335139646 /nfs/dbraw/zinc/13/96/46/335139646.db2.gz TXAPTGKXFVILDO-JFGNBEQYSA-N 1 0 300.196 2.719 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](O)[C@H]3C)cc2)CC1 ZINC000296330671 335143573 /nfs/dbraw/zinc/14/35/73/335143573.db2.gz QSVIMZPCBZYWBL-DNVCBOLYSA-N 1 0 318.461 2.647 20 10 DFCDRO C[C@H]([NH2+]CCN1CCSCC1)c1cc(Cl)ccc1O ZINC000273466069 334047440 /nfs/dbraw/zinc/04/74/40/334047440.db2.gz DSUXMUYFUPFTLH-NSHDSACASA-N 1 0 300.855 2.745 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000273471486 334047763 /nfs/dbraw/zinc/04/77/63/334047763.db2.gz SBLZCEHCPMJRIY-ZDUSSCGKSA-N 1 0 320.433 2.561 20 10 DFCDRO COC(=O)[C@H](Cc1ccccc1)NCc1cc(C)c(C)cc1O ZINC000276539019 334081312 /nfs/dbraw/zinc/08/13/12/334081312.db2.gz XKHWXIKRVRTXKN-KRWDZBQOSA-N 1 0 313.397 2.883 20 10 DFCDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000289525841 334166233 /nfs/dbraw/zinc/16/62/33/334166233.db2.gz PSBBTIACQXWFED-TXEJJXNPSA-N 1 0 300.196 2.764 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000295063756 334216526 /nfs/dbraw/zinc/21/65/26/334216526.db2.gz GUJJKAPCYQQGNA-FOLVSLTJSA-N 1 0 318.417 2.656 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c1 ZINC000192914427 336284248 /nfs/dbraw/zinc/28/42/48/336284248.db2.gz MZRADFYJQUFRJE-DOMZBBRYSA-N 1 0 304.390 2.947 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1 ZINC000368477086 336845732 /nfs/dbraw/zinc/84/57/32/336845732.db2.gz BJKLSCVKYFJBAX-ZDUSSCGKSA-N 1 0 315.417 2.827 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@]12CCCO2 ZINC000368707992 336851217 /nfs/dbraw/zinc/85/12/17/336851217.db2.gz UTCYWTHKTQAFII-BZUAXINKSA-N 1 0 311.809 2.862 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000369544789 336866868 /nfs/dbraw/zinc/86/68/68/336866868.db2.gz ACMCGYOGMPJAIC-UHFFFAOYSA-N 1 0 317.433 2.551 20 10 DFCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1O ZINC000370083090 336877294 /nfs/dbraw/zinc/87/72/94/336877294.db2.gz PIZAXLKNWMTBMY-UHFFFAOYSA-N 1 0 322.836 2.798 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1O ZINC000375012119 337001552 /nfs/dbraw/zinc/00/15/52/337001552.db2.gz KCNDSKDIRPQTQC-QGZVFWFLSA-N 1 0 316.445 2.925 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)c1 ZINC000375346198 337008616 /nfs/dbraw/zinc/00/86/16/337008616.db2.gz YILSBSPGNAEXFN-AWEZNQCLSA-N 1 0 312.413 2.799 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)CC(C)C)CC2)cc1 ZINC000305126298 337014770 /nfs/dbraw/zinc/01/47/70/337014770.db2.gz LGOBXBLAVVAKPP-MRXNPFEDSA-N 1 0 306.450 2.661 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(C)cc1O ZINC000375651557 337015578 /nfs/dbraw/zinc/01/55/78/337015578.db2.gz YUCBKHKKOHMEJJ-PBHICJAKSA-N 1 0 314.433 2.754 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000305147101 337015719 /nfs/dbraw/zinc/01/57/19/337015719.db2.gz SAIPDKTUTCRVTP-ROUUACIJSA-N 1 0 304.434 2.557 20 10 DFCDRO CC[C@@H](C)[C@@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305163435 337016750 /nfs/dbraw/zinc/01/67/50/337016750.db2.gz XQPKHTGTTUVKFH-KDOFPFPSSA-N 1 0 306.450 2.661 20 10 DFCDRO OC[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCc2ccccc21 ZINC000305173675 337016808 /nfs/dbraw/zinc/01/68/08/337016808.db2.gz QHYZNGSGVSPPSP-KRWDZBQOSA-N 1 0 303.789 2.969 20 10 DFCDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000375862056 337021767 /nfs/dbraw/zinc/02/17/67/337021767.db2.gz SCWHQSQLLUPFQG-MSOLQXFVSA-N 1 0 316.445 2.984 20 10 DFCDRO COc1ccc(O)c(CN(C)Cc2cn3c(n2)CCCC3)c1 ZINC000375933755 337023689 /nfs/dbraw/zinc/02/36/89/337023689.db2.gz SKZKKMJYDIJCBK-UHFFFAOYSA-N 1 0 301.390 2.566 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000376340370 337031705 /nfs/dbraw/zinc/03/17/05/337031705.db2.gz KPADQQWIOXNOKT-OAHLLOKOSA-N 1 0 304.434 2.911 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1O ZINC000376495427 337035054 /nfs/dbraw/zinc/03/50/54/337035054.db2.gz OBMLEVQSVGNFTO-WBMJQRKESA-N 1 0 322.836 2.774 20 10 DFCDRO CCOc1cccc(C[NH2+]Cc2cnc3n2CCCC3)c1O ZINC000376730559 337040167 /nfs/dbraw/zinc/04/01/67/337040167.db2.gz YMTRPEYHZJHKMX-UHFFFAOYSA-N 1 0 301.390 2.614 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c1 ZINC000377543101 337054703 /nfs/dbraw/zinc/05/47/03/337054703.db2.gz PIWYCMVACLODSB-RKLWJJNISA-N 1 0 318.417 2.580 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN(CCCOC)CC1 ZINC000377614021 337056129 /nfs/dbraw/zinc/05/61/29/337056129.db2.gz GSSSYQZLHHZSPK-KRWDZBQOSA-N 1 0 306.450 2.888 20 10 DFCDRO CCOc1ccc(O)c(C[N@H+]2CC=C(c3ccnn3C)CC2)c1 ZINC000377709321 337059315 /nfs/dbraw/zinc/05/93/15/337059315.db2.gz YFNDFTJCQWETSF-UHFFFAOYSA-N 1 0 313.401 2.814 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCn3ccnc3C2)cc1F ZINC000377859257 337062622 /nfs/dbraw/zinc/06/26/22/337062622.db2.gz GOCVPDLNOSFADX-HNNXBMFYSA-N 1 0 316.424 2.783 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@@H]1N1CCOCC1 ZINC000378340888 337070340 /nfs/dbraw/zinc/07/03/40/337070340.db2.gz IXQPJAHJJQVUGG-AEFFLSMTSA-N 1 0 318.461 2.552 20 10 DFCDRO CCc1nc([C@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)no1 ZINC000378347068 337070684 /nfs/dbraw/zinc/07/06/84/337070684.db2.gz BSRWYBXQJLDOSA-ZDUSSCGKSA-N 1 0 317.389 2.726 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cn2cncn2)c1O ZINC000378445538 337072959 /nfs/dbraw/zinc/07/29/59/337072959.db2.gz VBAHRQWEJYESRB-CQSZACIVSA-N 1 0 306.797 2.610 20 10 DFCDRO CC(C)(C)C(=O)N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000378497305 337074469 /nfs/dbraw/zinc/07/44/69/337074469.db2.gz NGPGYEVHKFWVBP-UHFFFAOYSA-N 1 0 308.397 2.612 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1O ZINC000378524064 337075108 /nfs/dbraw/zinc/07/51/08/337075108.db2.gz YESHVHJQRYEPRW-GOSISDBHSA-N 1 0 317.360 2.633 20 10 DFCDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)c(C)n1-c1ccccc1C ZINC000178784210 337165059 /nfs/dbraw/zinc/16/50/59/337165059.db2.gz ILGJUXRPHQSYCU-INIZCTEOSA-N 1 0 311.429 2.884 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC000184728612 337200186 /nfs/dbraw/zinc/20/01/86/337200186.db2.gz CMMLFKDOBSHMJV-AWEZNQCLSA-N 1 0 315.417 2.589 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1 ZINC000184988579 337202214 /nfs/dbraw/zinc/20/22/14/337202214.db2.gz OBIPKHJKKAEOFV-CYBMUJFWSA-N 1 0 324.384 2.832 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)CC2 ZINC000185995138 337252468 /nfs/dbraw/zinc/25/24/68/337252468.db2.gz VJUQVYCJZIXISJ-OLZOCXBDSA-N 1 0 300.406 2.520 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c(O)c1 ZINC000186051270 337253149 /nfs/dbraw/zinc/25/31/49/337253149.db2.gz YCQJIISQFAGSQS-LSDHHAIUSA-N 1 0 312.417 2.810 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000186930057 337260525 /nfs/dbraw/zinc/26/05/25/337260525.db2.gz FPLUQLZOZCARQO-QXAKKESOSA-N 1 0 323.440 2.903 20 10 DFCDRO Cc1ccc(O)c(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1 ZINC000188479268 337273697 /nfs/dbraw/zinc/27/36/97/337273697.db2.gz PXXCGRLXZGLURL-CYBMUJFWSA-N 1 0 300.406 2.992 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189918498 337283819 /nfs/dbraw/zinc/28/38/19/337283819.db2.gz XLOPDTPDRONBHV-UHFFFAOYSA-N 1 0 312.417 2.623 20 10 DFCDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc(Br)ccc1O ZINC000527766682 337762224 /nfs/dbraw/zinc/76/22/24/337762224.db2.gz PMJZQXXRKCWEDD-IINYFYTJSA-N 1 0 312.207 2.812 20 10 DFCDRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccccc2O)cc1 ZINC000527772550 337762583 /nfs/dbraw/zinc/76/25/83/337762583.db2.gz LARWTEIYBBVDPB-QGZVFWFLSA-N 1 0 312.413 2.765 20 10 DFCDRO COC[C@@]1([NH2+]Cc2cc(F)ccc2O)COc2ccccc2C1 ZINC000529669925 340767472 /nfs/dbraw/zinc/76/74/72/340767472.db2.gz XGNZHENMPURNKN-GOSISDBHSA-N 1 0 317.360 2.641 20 10 DFCDRO Oc1ccc(Br)cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530178583 340781764 /nfs/dbraw/zinc/78/17/64/340781764.db2.gz OPXRSUIIDHAVAS-ZDUSSCGKSA-N 1 0 311.223 2.529 20 10 DFCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249843 340783866 /nfs/dbraw/zinc/78/38/66/340783866.db2.gz ZCGLETAREBLKBJ-OAHLLOKOSA-N 1 0 324.852 2.636 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1O ZINC000365110176 518278134 /nfs/dbraw/zinc/27/81/34/518278134.db2.gz PFYNYARZCRVIKT-MRXNPFEDSA-N 1 0 309.793 2.595 20 10 DFCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000189402177 520215467 /nfs/dbraw/zinc/21/54/67/520215467.db2.gz GWURXRTYSGVEOV-OLZOCXBDSA-N 1 0 304.434 2.788 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)c(O)c1 ZINC000266189756 520367162 /nfs/dbraw/zinc/36/71/62/520367162.db2.gz YAAZZRVGPIRJEZ-QGZVFWFLSA-N 1 0 305.374 2.771 20 10 DFCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000159034233 520615706 /nfs/dbraw/zinc/61/57/06/520615706.db2.gz HDZJMCHGOCUVDP-UHFFFAOYSA-N 1 0 304.434 2.918 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000236673966 521040388 /nfs/dbraw/zinc/04/03/88/521040388.db2.gz KAYTYEJOFGISHD-SFHVURJKSA-N 1 0 315.461 2.681 20 10 DFCDRO CN(C)c1ccc(CNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000268013981 521938168 /nfs/dbraw/zinc/93/81/68/521938168.db2.gz HHBIAFOETWDRBU-UHFFFAOYSA-N 1 0 317.458 2.806 20 10 DFCDRO COC[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178673765 522581582 /nfs/dbraw/zinc/58/15/82/522581582.db2.gz SLWLUFBFJKPQDX-KGLIPLIRSA-N 1 0 310.413 2.595 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000179770499 522774637 /nfs/dbraw/zinc/77/46/37/522774637.db2.gz LUSXUIZDQQNQCB-UHFFFAOYSA-N 1 0 303.358 2.747 20 10 DFCDRO COCCC[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000124574538 523229982 /nfs/dbraw/zinc/22/99/82/523229982.db2.gz FHTGNTNKLVYUBX-UHFFFAOYSA-N 1 0 302.212 2.931 20 10 DFCDRO CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268866368 523402062 /nfs/dbraw/zinc/40/20/62/523402062.db2.gz SVIIILSHRNGKMK-UONOGXRCSA-N 1 0 310.413 2.738 20 10 DFCDRO C[C@@H](C(=O)NC1CC1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131579213 524162835 /nfs/dbraw/zinc/16/28/35/524162835.db2.gz PZWIHTSFIYFLTH-HNNXBMFYSA-N 1 0 315.461 2.776 20 10 DFCDRO COc1ccc(F)cc1C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000189693294 524314773 /nfs/dbraw/zinc/31/47/73/524314773.db2.gz AOCFVHPGOQDAQS-UHFFFAOYSA-N 1 0 321.348 2.847 20 10 DFCDRO Cc1cccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c1O ZINC000180248676 524398631 /nfs/dbraw/zinc/39/86/31/524398631.db2.gz QHWBWONPUQFQKA-INIZCTEOSA-N 1 0 311.429 2.974 20 10 DFCDRO COc1ccc(N2CC[NH+](C[C@H]3CC[C@H](C)O3)CC2)cc1F ZINC000190671956 524426845 /nfs/dbraw/zinc/42/68/45/524426845.db2.gz YEOXMFLDUHOIGK-DZGCQCFKSA-N 1 0 308.397 2.524 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000179999841 524738867 /nfs/dbraw/zinc/73/88/67/524738867.db2.gz RXDNTGYNKPSVNW-ZDUSSCGKSA-N 1 0 317.389 2.547 20 10 DFCDRO COc1ccc(O)c(C[NH2+]CC[C@](C)(O)c2ccccc2)c1 ZINC000190274742 524749498 /nfs/dbraw/zinc/74/94/98/524749498.db2.gz BNGCSDXSSMHWEL-SFHVURJKSA-N 1 0 301.386 2.788 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000182387855 524762823 /nfs/dbraw/zinc/76/28/23/524762823.db2.gz YGYYKKAZRLTJMF-PIGZYNQJSA-N 1 0 305.349 2.924 20 10 DFCDRO C[C@H](Cn1cccn1)[NH2+]Cc1cc(Br)ccc1O ZINC000226036643 524778175 /nfs/dbraw/zinc/77/81/75/524778175.db2.gz FWBIVXWRXNYYCJ-SNVBAGLBSA-N 1 0 310.195 2.530 20 10 DFCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264985542 524836733 /nfs/dbraw/zinc/83/67/33/524836733.db2.gz VRCVCSKUALXYRX-ZDUSSCGKSA-N 1 0 319.426 2.582 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000180774180 524861193 /nfs/dbraw/zinc/86/11/93/524861193.db2.gz MUXNPMPGCFFVEW-CYBMUJFWSA-N 1 0 320.824 2.858 20 10 DFCDRO Cc1ccc(N2CCC[N@H+](Cc3cccc(C)c3O)CC2)nn1 ZINC000180078307 524946949 /nfs/dbraw/zinc/94/69/49/524946949.db2.gz CRGRCFVMWOHCNK-UHFFFAOYSA-N 1 0 312.417 2.511 20 10 DFCDRO C[C@H]([NH2+]CCCCCCO)c1ccc(N2CCOCC2)cc1 ZINC000181264142 525332885 /nfs/dbraw/zinc/33/28/85/525332885.db2.gz SNWKYWNZHIHBJO-INIZCTEOSA-N 1 0 306.450 2.727 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000264943686 525354394 /nfs/dbraw/zinc/35/43/94/525354394.db2.gz HNRUCYOKNSTLPK-KRWDZBQOSA-N 1 0 310.397 2.591 20 10 DFCDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000184949201 525377816 /nfs/dbraw/zinc/37/78/16/525377816.db2.gz VTAPUYIUVZNXPI-APPDUMDISA-N 1 0 305.349 2.924 20 10 DFCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000267184871 526029747 /nfs/dbraw/zinc/02/97/47/526029747.db2.gz LCDSMFMNTVSFLH-MEDUHNTESA-N 1 0 305.349 2.752 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1O ZINC000187986017 526158778 /nfs/dbraw/zinc/15/87/78/526158778.db2.gz VZQHKQCLEOOCBS-GWCFXTLKSA-N 1 0 314.223 2.714 20 10 DFCDRO COc1cccc(NC(=[NH2+])NCc2ccc3c(c2)CCN3C)c1 ZINC000364412384 526164412 /nfs/dbraw/zinc/16/44/12/526164412.db2.gz DEMVKXMAKHNJLM-UHFFFAOYSA-N 1 0 310.401 2.824 20 10 DFCDRO Cc1cc(C(=O)N2CCC([NH3+])CC2)c(C)n1-c1cccc(C)c1 ZINC000237820185 526238130 /nfs/dbraw/zinc/23/81/30/526238130.db2.gz MWZXZHXJVIHKKM-UHFFFAOYSA-N 1 0 311.429 2.966 20 10 DFCDRO Cc1cc(C(=O)N2CCC[C@H]([NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000158294325 526249384 /nfs/dbraw/zinc/24/93/84/526249384.db2.gz SPDYPIRXJKJZKH-INIZCTEOSA-N 1 0 311.429 2.966 20 10 DFCDRO Oc1cc2c(cc1C[NH+]1CCC([C@H]3CCCO3)CC1)OCO2 ZINC000190176734 526334246 /nfs/dbraw/zinc/33/42/46/526334246.db2.gz VGRKQOLCTUMZPV-OAHLLOKOSA-N 1 0 305.374 2.512 20 10 DFCDRO Nc1ccc(CC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000237891214 527475657 /nfs/dbraw/zinc/47/56/57/527475657.db2.gz SZAJCJKZMGXHSL-UHFFFAOYSA-N 1 0 315.461 2.536 20 10 DFCDRO CC(C)(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)OCCO ZINC000288531784 535146329 /nfs/dbraw/zinc/14/63/29/535146329.db2.gz VSVYMLVBDGSDDV-UHFFFAOYSA-N 1 0 315.413 2.936 20 10 DFCDRO CC[C@@H]([NH2+]Cc1cc(Br)ccc1O)C(C)(C)O ZINC000293001695 535805369 /nfs/dbraw/zinc/80/53/69/535805369.db2.gz NCIPIKZUUNFFQH-GFCCVEGCSA-N 1 0 302.212 2.794 20 10 DFCDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)OC ZINC000272641309 536628374 /nfs/dbraw/zinc/62/83/74/536628374.db2.gz CSWCNTISEUHVHV-MAUKXSAKSA-N 1 0 306.450 2.989 20 10 DFCDRO COc1cc(O)c(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc1OC ZINC000273208436 536856377 /nfs/dbraw/zinc/85/63/77/536856377.db2.gz SLWIGGRYBSNDOB-QWHCGFSZSA-N 1 0 309.406 2.704 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736819440 598401428 /nfs/dbraw/zinc/40/14/28/598401428.db2.gz LVMZZZOOIOBIGR-UHFFFAOYSA-N 1 0 322.416 2.565 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1O ZINC000092814130 185343537 /nfs/dbraw/zinc/34/35/37/185343537.db2.gz UYPRXEDGWNURRJ-CYBMUJFWSA-N 1 0 317.389 2.547 20 10 DFCDRO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090849194 398494557 /nfs/dbraw/zinc/49/45/57/398494557.db2.gz UTEJQMAKXMNGMU-KBXCAEBGSA-N 1 0 322.424 2.618 20 10 DFCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)cc1 ZINC000030900756 398507822 /nfs/dbraw/zinc/50/78/22/398507822.db2.gz VTCOGJPNVRPLIM-UHFFFAOYSA-N 1 0 321.428 2.682 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1O ZINC000092072339 398556307 /nfs/dbraw/zinc/55/63/07/398556307.db2.gz ITDIVEUVIIZTEN-AWEZNQCLSA-N 1 0 301.390 2.894 20 10 DFCDRO Cn1cc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cn1 ZINC000080583591 192170146 /nfs/dbraw/zinc/17/01/46/192170146.db2.gz OGOYANLIKJILAE-UHFFFAOYSA-N 1 0 322.412 2.601 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042909736 398606656 /nfs/dbraw/zinc/60/66/56/398606656.db2.gz MSHHCLLXRLRKOC-UHFFFAOYSA-N 1 0 319.449 2.843 20 10 DFCDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000093870193 398648789 /nfs/dbraw/zinc/64/87/89/398648789.db2.gz MYXFRKVGCVBGKJ-GFCCVEGCSA-N 1 0 305.809 2.844 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000368804750 398652270 /nfs/dbraw/zinc/65/22/70/398652270.db2.gz GDJAVOXVXROVFC-AWEZNQCLSA-N 1 0 320.458 2.841 20 10 DFCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)C1CCS(=O)(=O)CC1 ZINC000280655066 283308557 /nfs/dbraw/zinc/30/85/57/283308557.db2.gz SLGUULOSBGYOQU-AWEZNQCLSA-N 1 0 324.490 2.575 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000091960740 193132026 /nfs/dbraw/zinc/13/20/26/193132026.db2.gz RAKZWRMIHATPCG-HIFRSBDPSA-N 1 0 301.390 2.680 20 10 DFCDRO COc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000093360269 193238733 /nfs/dbraw/zinc/23/87/33/193238733.db2.gz MVGMCVUKIXOQCQ-LBPRGKRZSA-N 1 0 324.421 2.746 20 10 DFCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000105275052 194091410 /nfs/dbraw/zinc/09/14/10/194091410.db2.gz OIVUZABFUUTZMH-HNNXBMFYSA-N 1 0 319.449 2.654 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CCOC3(C)C)cc2)CC1 ZINC000295281810 284774909 /nfs/dbraw/zinc/77/49/09/284774909.db2.gz SSILFTKLCLYXIQ-GOSISDBHSA-N 1 0 318.461 2.959 20 10 DFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000066203548 184396732 /nfs/dbraw/zinc/39/67/32/184396732.db2.gz VKBBVSDVFMNEFC-HNNXBMFYSA-N 1 0 320.481 2.624 20 10 DFCDRO COC[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)OC ZINC000280318437 285377449 /nfs/dbraw/zinc/37/74/49/285377449.db2.gz PDROCQPNOIPGFX-ZDUSSCGKSA-N 1 0 320.355 2.522 20 10 DFCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccncc3)CC1)OCO2 ZINC000191293695 285382062 /nfs/dbraw/zinc/38/20/62/285382062.db2.gz JKRLNUCNWBOTSF-UHFFFAOYSA-N 1 0 312.369 2.896 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000273419093 130119140 /nfs/dbraw/zinc/11/91/40/130119140.db2.gz RTYQTGIYXPZVFR-ABAIWWIYSA-N 1 0 301.390 2.863 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c(O)c1 ZINC000273424165 130121255 /nfs/dbraw/zinc/12/12/55/130121255.db2.gz SYOHXRJGFFISJK-AWEZNQCLSA-N 1 0 319.426 2.825 20 10 DFCDRO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccc2ccccc2c1O ZINC000273441908 130121906 /nfs/dbraw/zinc/12/19/06/130121906.db2.gz YVMWWUPOOSGWQC-GFCCVEGCSA-N 1 0 308.385 2.934 20 10 DFCDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273607912 130144388 /nfs/dbraw/zinc/14/43/88/130144388.db2.gz UTRXKRCYAUHOOH-NFOMZHRRSA-N 1 0 304.434 2.964 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000273613275 130144963 /nfs/dbraw/zinc/14/49/63/130144963.db2.gz WRASXZGMLBQQIV-NWANDNLSSA-N 1 0 320.433 2.702 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]Cc2cn3c(n2)CCCC3)c1O ZINC000273770160 130164572 /nfs/dbraw/zinc/16/45/72/130164572.db2.gz QTPXXNIOKAGEGA-UHFFFAOYSA-N 1 0 321.808 2.877 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274412857 130232795 /nfs/dbraw/zinc/23/27/95/130232795.db2.gz SCBJTINREHDZTF-GFCCVEGCSA-N 1 0 303.431 2.896 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@H](c3cncn3C)C2)cc1C ZINC000275537985 130333593 /nfs/dbraw/zinc/33/35/93/130333593.db2.gz MKKYGVKIJQPEDS-YJBOKZPZSA-N 1 0 315.417 2.752 20 10 DFCDRO COCCC[N@H+](CCO)Cc1cc(-c2ccccc2)ccc1O ZINC000275695227 130364693 /nfs/dbraw/zinc/36/46/93/130364693.db2.gz BFADMUYETILGKK-UHFFFAOYSA-N 1 0 315.413 2.890 20 10 DFCDRO CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1)C1CC1 ZINC000275852405 130399535 /nfs/dbraw/zinc/39/95/35/130399535.db2.gz WYPWIARFOVKJCM-IBGZPJMESA-N 1 0 315.461 2.728 20 10 DFCDRO CCCN(Cc1ccnn1CCCOC)c1ccc(C[NH3+])cc1 ZINC000282746451 130939000 /nfs/dbraw/zinc/93/90/00/130939000.db2.gz GMOUHAYGAGMKAW-UHFFFAOYSA-N 1 0 316.449 2.795 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1OC ZINC000283864058 131030001 /nfs/dbraw/zinc/03/00/01/131030001.db2.gz CISULMXAGGOGIX-DZGCQCFKSA-N 1 0 307.390 2.553 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]CCC1(O)CCC1 ZINC000284120727 131050895 /nfs/dbraw/zinc/05/08/95/131050895.db2.gz TXIZRHJLXRLVOG-UHFFFAOYSA-N 1 0 300.196 2.549 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2C[C@H](COC)OC(C)(C)C2)c(O)c1 ZINC000284571673 131093561 /nfs/dbraw/zinc/09/35/61/131093561.db2.gz OGPVPVRGWLYICL-MRXNPFEDSA-N 1 0 323.433 2.807 20 10 DFCDRO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000284734592 131107464 /nfs/dbraw/zinc/10/74/64/131107464.db2.gz UCIPOCYKFCSLKU-GBESFXJTSA-N 1 0 318.461 2.769 20 10 DFCDRO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cccc(C)c1O ZINC000284798152 131112000 /nfs/dbraw/zinc/11/20/00/131112000.db2.gz ZSZIURNVKHPTCX-YESZJQIVSA-N 1 0 305.418 2.717 20 10 DFCDRO CO[C@H]1C[C@@H](C[N@H+](C)Cc2cc(Cl)cc(C)c2O)N(C)C1 ZINC000284910031 131121035 /nfs/dbraw/zinc/12/10/35/131121035.db2.gz UWADLQJZAZDUTI-GJZGRUSLSA-N 1 0 312.841 2.505 20 10 DFCDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000285584715 131183318 /nfs/dbraw/zinc/18/33/18/131183318.db2.gz UFHLDXKVADPNAD-SWLSCSKDSA-N 1 0 310.438 2.503 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c(O)c1 ZINC000285609547 131186236 /nfs/dbraw/zinc/18/62/36/131186236.db2.gz JCDXCQKNQHOPLS-ZDUSSCGKSA-N 1 0 311.447 2.709 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(Br)cc1O ZINC000286988597 131259213 /nfs/dbraw/zinc/25/92/13/131259213.db2.gz JLZLYFGIUJYSDK-VHSXEESVSA-N 1 0 301.228 2.755 20 10 DFCDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000289542461 131394138 /nfs/dbraw/zinc/39/41/38/131394138.db2.gz IBBJXAYQGWNJFZ-OCCSQVGLSA-N 1 0 307.390 2.636 20 10 DFCDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000289585026 131397843 /nfs/dbraw/zinc/39/78/43/131397843.db2.gz MPUDKGOWHFVELU-CQSZACIVSA-N 1 0 313.353 2.523 20 10 DFCDRO CC(C)[C@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298714030 132074955 /nfs/dbraw/zinc/07/49/55/132074955.db2.gz LMKLQGCEYXPIHI-HNNXBMFYSA-N 1 0 305.466 2.687 20 10 DFCDRO O=C(NCc1ccccc1O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000299600307 132112529 /nfs/dbraw/zinc/11/25/29/132112529.db2.gz VNXJTLWYSHCJBB-GOSISDBHSA-N 1 0 324.424 2.921 20 10 DFCDRO OC[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000289934733 335067186 /nfs/dbraw/zinc/06/71/86/335067186.db2.gz TYTNLEPKENAKCI-ICSRJNTNSA-N 1 0 309.409 2.877 20 10 DFCDRO Cc1cc(C[NH+]2CCC(N3CCCC3=O)CC2)ccc1N(C)C ZINC000293061136 543019770 /nfs/dbraw/zinc/01/97/70/543019770.db2.gz LDCKSMCVIQSNJY-UHFFFAOYSA-N 1 0 315.461 2.648 20 10 DFCDRO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187752893 286198127 /nfs/dbraw/zinc/19/81/27/286198127.db2.gz FDSNQXQIOBEWHM-RYUDHWBXSA-N 1 0 316.392 2.678 20 10 DFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCCO1 ZINC000071004437 425981037 /nfs/dbraw/zinc/98/10/37/425981037.db2.gz WGQGJYCWHIAHSM-SFHVURJKSA-N 1 0 304.434 2.524 20 10 DFCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000125991739 425999328 /nfs/dbraw/zinc/99/93/28/425999328.db2.gz VQPZACDUXQTARO-LBPRGKRZSA-N 1 0 310.825 2.784 20 10 DFCDRO CN(CCCS(C)(=O)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000103225797 425939635 /nfs/dbraw/zinc/93/96/35/425939635.db2.gz CZSGBQWKRHYGGN-UHFFFAOYSA-N 1 0 324.490 2.543 20 10 DFCDRO Cc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2O)cc1F ZINC000109773608 426032601 /nfs/dbraw/zinc/03/26/01/426032601.db2.gz NJEADJRFKXAPCW-UHFFFAOYSA-N 1 0 316.376 2.588 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)n1-c1ccccc1 ZINC000170863018 426155553 /nfs/dbraw/zinc/15/55/53/426155553.db2.gz CBWSIYBDPKVPLK-QGZVFWFLSA-N 1 0 311.429 2.870 20 10 DFCDRO Cc1csc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000133805475 426183401 /nfs/dbraw/zinc/18/34/01/426183401.db2.gz NENZTBBYPZEXFR-UHFFFAOYSA-N 1 0 316.474 2.840 20 10 DFCDRO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000134264807 426186695 /nfs/dbraw/zinc/18/66/95/426186695.db2.gz GPMPGCDDDDQWMI-AWEZNQCLSA-N 1 0 322.836 2.926 20 10 DFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(C)C ZINC000151542672 426300984 /nfs/dbraw/zinc/30/09/84/426300984.db2.gz KYLVLLKFZAGEIL-QGZVFWFLSA-N 1 0 324.440 2.547 20 10 DFCDRO C[C@@H]1CCC[N@@H+]1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000151629668 426305077 /nfs/dbraw/zinc/30/50/77/426305077.db2.gz MHIWLIPFNXFCJY-CYBMUJFWSA-N 1 0 318.417 2.570 20 10 DFCDRO CC[C@H]([NH2+][C@@H](C)CCO)c1cc(Br)ccc1O ZINC000120628392 426313536 /nfs/dbraw/zinc/31/35/36/426313536.db2.gz JRRFQGDVYIFSSO-CABZTGNLSA-N 1 0 302.212 2.966 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121270841 426330232 /nfs/dbraw/zinc/33/02/32/426330232.db2.gz NZUPOLAZZWBOMI-ZDUSSCGKSA-N 1 0 301.390 2.894 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000093691655 426357816 /nfs/dbraw/zinc/35/78/16/426357816.db2.gz OBOSSVIHAIAXOU-KRWDZBQOSA-N 1 0 314.385 2.839 20 10 DFCDRO Cn1cccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000153231958 426377417 /nfs/dbraw/zinc/37/74/17/426377417.db2.gz DCIISAZVJQCHHW-KRWDZBQOSA-N 1 0 300.402 2.912 20 10 DFCDRO Oc1cc2c(cc1CN1CCC[C@@H]([NH+]3CCCC3)CC1)OCO2 ZINC000153466775 426387148 /nfs/dbraw/zinc/38/71/48/426387148.db2.gz OCODKVLNDMPQCQ-OAHLLOKOSA-N 1 0 318.417 2.571 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]CC2(OC)CCOCC2)cc1F ZINC000123112687 426414418 /nfs/dbraw/zinc/41/44/18/426414418.db2.gz DLINXBUUSCTQAG-UHFFFAOYSA-N 1 0 324.440 2.957 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1O ZINC000176984857 426430630 /nfs/dbraw/zinc/43/06/30/426430630.db2.gz AOWLCTLZIMSMGX-JSGCOSHPSA-N 1 0 316.380 2.641 20 10 DFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)C3CC3)CC2)cc1 ZINC000177189949 426451387 /nfs/dbraw/zinc/45/13/87/426451387.db2.gz IIZSNBVEINQUCN-MRXNPFEDSA-N 1 0 317.477 2.595 20 10 DFCDRO CC[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000154978676 426461175 /nfs/dbraw/zinc/46/11/75/426461175.db2.gz YVRDRBZMQNLXLQ-HLLBOEOZSA-N 1 0 306.450 2.932 20 10 DFCDRO COC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000155363373 426469543 /nfs/dbraw/zinc/46/95/43/426469543.db2.gz RRMZDBFGPOMBBS-KDOFPFPSSA-N 1 0 304.434 2.599 20 10 DFCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccc(C)cc2O)C1 ZINC000280214424 426523347 /nfs/dbraw/zinc/52/33/47/426523347.db2.gz UIBOCIZCTWEHON-UKRRQHHQSA-N 1 0 305.422 2.545 20 10 DFCDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186498152 426540274 /nfs/dbraw/zinc/54/02/74/426540274.db2.gz NZICAOLYHPCDLG-AIROSISHSA-N 1 0 322.424 2.640 20 10 DFCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)c(C)n1-c1ccccn1 ZINC000264357115 426542682 /nfs/dbraw/zinc/54/26/82/426542682.db2.gz ANTDKDJEINLAOP-ZDUSSCGKSA-N 1 0 314.433 2.559 20 10 DFCDRO C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)Cc1ccccc1O ZINC000264610931 426575982 /nfs/dbraw/zinc/57/59/82/426575982.db2.gz NNVQBRMSUSBCIM-AWEZNQCLSA-N 1 0 304.434 2.909 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC2(CCOCC2)O1 ZINC000280449008 426576934 /nfs/dbraw/zinc/57/69/34/426576934.db2.gz LELGJFOUJRCTOM-GFCCVEGCSA-N 1 0 311.809 2.816 20 10 DFCDRO CC(C)OCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000178190897 426582865 /nfs/dbraw/zinc/58/28/65/426582865.db2.gz MNINMAAIIGFJQJ-INIZCTEOSA-N 1 0 306.450 2.989 20 10 DFCDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(Br)ccc1O ZINC000226036630 426615709 /nfs/dbraw/zinc/61/57/09/426615709.db2.gz FWBIVXWRXNYYCJ-JTQLQIEISA-N 1 0 310.195 2.530 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000178566241 426656271 /nfs/dbraw/zinc/65/62/71/426656271.db2.gz KGCVLKAECOCBAU-INIZCTEOSA-N 1 0 311.429 2.823 20 10 DFCDRO CSC[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000187712133 426687161 /nfs/dbraw/zinc/68/71/61/426687161.db2.gz ZKGIIIVALNXVNT-QGZVFWFLSA-N 1 0 308.491 2.833 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000289717340 426672231 /nfs/dbraw/zinc/67/22/31/426672231.db2.gz FJJPYDWMXTZWIH-VQIMIIECSA-N 1 0 313.397 2.657 20 10 DFCDRO COC(=O)CCCCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000289947134 426677622 /nfs/dbraw/zinc/67/76/22/426677622.db2.gz XPFNBINKNVOTBX-UHFFFAOYSA-N 1 0 315.797 2.877 20 10 DFCDRO CCOc1cccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000289945015 426677784 /nfs/dbraw/zinc/67/77/84/426677784.db2.gz XKTRQJXCNRQEAQ-HOCLYGCPSA-N 1 0 304.434 2.850 20 10 DFCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(Br)cc1O ZINC000187680455 426684870 /nfs/dbraw/zinc/68/48/70/426684870.db2.gz PMUZILCAMUGSBK-HJIKLVIJSA-N 1 0 314.223 2.965 20 10 DFCDRO CC[C@@H](C)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000187724709 426688359 /nfs/dbraw/zinc/68/83/59/426688359.db2.gz UKEAXRLPZJNJMX-CYBMUJFWSA-N 1 0 308.422 2.633 20 10 DFCDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000290210188 426718217 /nfs/dbraw/zinc/71/82/17/426718217.db2.gz PWHTVISVOKDZMA-MSOLQXFVSA-N 1 0 315.461 2.537 20 10 DFCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000280984653 426698030 /nfs/dbraw/zinc/69/80/30/426698030.db2.gz MHOOSHLALKBBBU-ZBFHGGJFSA-N 1 0 303.450 2.662 20 10 DFCDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000280984643 426698941 /nfs/dbraw/zinc/69/89/41/426698941.db2.gz MHOOSHLALKBBBU-GDBMZVCRSA-N 1 0 303.450 2.662 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000290525197 426785715 /nfs/dbraw/zinc/78/57/15/426785715.db2.gz ZCVJCKYVTPKWJZ-POHZPAGDSA-N 1 0 315.369 2.546 20 10 DFCDRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000290328000 426743038 /nfs/dbraw/zinc/74/30/38/426743038.db2.gz OTFBKNNWHPPQBK-SNVBAGLBSA-N 1 0 305.827 2.519 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281764728 426761935 /nfs/dbraw/zinc/76/19/35/426761935.db2.gz LSWZSKQTDORETA-HZPDHXFCSA-N 1 0 305.324 2.978 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+]CC2([S@](C)=O)CCC2)c1O ZINC000281772232 426762661 /nfs/dbraw/zinc/76/26/61/426762661.db2.gz JSARUDWTEIDHHL-IBGZPJMESA-N 1 0 301.839 2.745 20 10 DFCDRO Oc1cccc(Cl)c1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000290591144 426799474 /nfs/dbraw/zinc/79/94/74/426799474.db2.gz VHMASZTYHNTMNZ-UHFFFAOYSA-N 1 0 304.768 2.818 20 10 DFCDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000179561290 426802515 /nfs/dbraw/zinc/80/25/15/426802515.db2.gz MQUKYDXWUGWOFO-UHFFFAOYSA-N 1 0 313.357 2.623 20 10 DFCDRO CCCC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179611189 426805518 /nfs/dbraw/zinc/80/55/18/426805518.db2.gz AAOZPOUYKWLOBR-KRWDZBQOSA-N 1 0 324.490 2.542 20 10 DFCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(O)c(OC)c2)c1 ZINC000179665139 426809938 /nfs/dbraw/zinc/80/99/38/426809938.db2.gz UDNLUKXPGDBNSR-UHFFFAOYSA-N 1 0 303.358 2.747 20 10 DFCDRO COC(=O)c1cnc(SCC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000295157932 426843195 /nfs/dbraw/zinc/84/31/95/426843195.db2.gz GHEDUHDCZATVNH-JTQLQIEISA-N 1 0 300.449 2.896 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1O ZINC000282578158 426918028 /nfs/dbraw/zinc/91/80/28/426918028.db2.gz BCEJOUCDYVSTRX-GFCCVEGCSA-N 1 0 324.421 2.746 20 10 DFCDRO COc1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1C ZINC000282329851 426883915 /nfs/dbraw/zinc/88/39/15/426883915.db2.gz LNZMJMRUPIGLIG-LJQANCHMSA-N 1 0 313.397 2.764 20 10 DFCDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000282416183 426905973 /nfs/dbraw/zinc/90/59/73/426905973.db2.gz BFOZHPQYCINCTG-INIZCTEOSA-N 1 0 315.369 2.561 20 10 DFCDRO CC[N@H+](CCOCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000282848339 426928404 /nfs/dbraw/zinc/92/84/04/426928404.db2.gz WCFKTDIMFXBWTI-UHFFFAOYSA-N 1 0 308.205 2.530 20 10 DFCDRO O=C1[C@H]([NH2+]Cc2ccccc2O)CCCN1C1CCCCC1 ZINC000276218263 427011322 /nfs/dbraw/zinc/01/13/22/427011322.db2.gz PZLXQXJCYDFCCJ-MRXNPFEDSA-N 1 0 302.418 2.806 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@@H](C)[C@H]3CCOC3)cc2)CC1 ZINC000295856479 427018378 /nfs/dbraw/zinc/01/83/78/427018378.db2.gz XWUKWNXRLRAYNE-RDJZCZTQSA-N 1 0 318.461 2.816 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268822673 427129314 /nfs/dbraw/zinc/12/93/14/427129314.db2.gz KIDROCMUIFVELM-NVXWUHKLSA-N 1 0 315.461 2.948 20 10 DFCDRO CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296183007 427103347 /nfs/dbraw/zinc/10/33/47/427103347.db2.gz YFDOBOWYBKYTNO-INIZCTEOSA-N 1 0 310.397 2.919 20 10 DFCDRO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000249457475 427117817 /nfs/dbraw/zinc/11/78/17/427117817.db2.gz GJGRGXITXBYZHB-KRFUXDQASA-N 1 0 312.457 2.878 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268797785 427118959 /nfs/dbraw/zinc/11/89/59/427118959.db2.gz CLHOWXWJKJHWSU-HIFRSBDPSA-N 1 0 319.424 2.697 20 10 DFCDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000276903855 427127256 /nfs/dbraw/zinc/12/72/56/427127256.db2.gz OEXUDLSNWFIZJJ-OAHLLOKOSA-N 1 0 310.397 2.742 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)[C@]12CCCO2 ZINC000296280759 427134211 /nfs/dbraw/zinc/13/42/11/427134211.db2.gz CPHZKOPAESJQKG-NOVWEMISSA-N 1 0 303.402 2.696 20 10 DFCDRO CC[C@@H](COC)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268881154 427139109 /nfs/dbraw/zinc/13/91/09/427139109.db2.gz RMXHMRXPGJLDBX-LZWOXQAQSA-N 1 0 324.440 2.954 20 10 DFCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000268909592 427139326 /nfs/dbraw/zinc/13/93/26/427139326.db2.gz MLSJXKSOAYGUDN-OAHLLOKOSA-N 1 0 303.450 2.537 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000268953706 427139417 /nfs/dbraw/zinc/13/94/17/427139417.db2.gz FNMXPZXHYAPJRM-QGZVFWFLSA-N 1 0 316.445 2.715 20 10 DFCDRO CC[C@H](COC)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268881158 427139892 /nfs/dbraw/zinc/13/98/92/427139892.db2.gz RMXHMRXPGJLDBX-OFQRWUPVSA-N 1 0 324.440 2.954 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000269172630 427152568 /nfs/dbraw/zinc/15/25/68/427152568.db2.gz AJFQMRGBODXUPX-UGSOOPFHSA-N 1 0 311.429 2.903 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)OCO2 ZINC000277376622 427182237 /nfs/dbraw/zinc/18/22/37/427182237.db2.gz AULVQYHJPQGXGR-VIFPVBQESA-N 1 0 303.280 2.895 20 10 DFCDRO CCCOc1ccc(C[NH2+]CCNC(=O)[C@H](C)CCC)c(O)c1 ZINC000292768061 427199949 /nfs/dbraw/zinc/19/99/49/427199949.db2.gz SJSIMZPKCXKKLJ-CQSZACIVSA-N 1 0 322.449 2.823 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000292837999 427201886 /nfs/dbraw/zinc/20/18/86/427201886.db2.gz CAAACOQCQGACQS-APWZRJJASA-N 1 0 323.440 2.918 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@H]2CCCCN2C2CC2)c1O ZINC000277441764 427206934 /nfs/dbraw/zinc/20/69/34/427206934.db2.gz DWANRFAUPQRLFJ-MRXNPFEDSA-N 1 0 304.434 2.897 20 10 DFCDRO COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC000277890599 427350086 /nfs/dbraw/zinc/35/00/86/427350086.db2.gz OOKTZVYSLASTND-INIZCTEOSA-N 1 0 306.450 2.594 20 10 DFCDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271080296 427399433 /nfs/dbraw/zinc/39/94/33/427399433.db2.gz QVFSLNKVGHYJMI-ZDUSSCGKSA-N 1 0 322.836 2.784 20 10 DFCDRO CCOc1cccc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1O ZINC000278780565 427450331 /nfs/dbraw/zinc/45/03/31/427450331.db2.gz ZCHKMISSIQOPGQ-UHFFFAOYSA-N 1 0 305.418 2.823 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@H](C)c2cccc(O)c2)cc1OC ZINC000192035175 427469257 /nfs/dbraw/zinc/46/92/57/427469257.db2.gz SHJHABXQMUPVEX-LLVKDONJSA-N 1 0 303.358 2.966 20 10 DFCDRO CCCN(Cc1ccc(C(=O)OC)[nH]1)c1ccc(C[NH3+])cc1 ZINC000278295047 427426724 /nfs/dbraw/zinc/42/67/24/427426724.db2.gz CXNZFOVUDFMJSX-UHFFFAOYSA-N 1 0 301.390 2.677 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000278363319 427431197 /nfs/dbraw/zinc/43/11/97/427431197.db2.gz AZSQOCWIDFMAIH-SFHVURJKSA-N 1 0 315.461 2.776 20 10 DFCDRO COc1c([O-])c(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278538219 427440956 /nfs/dbraw/zinc/44/09/56/427440956.db2.gz WRRGGODBQJSLAC-NWDGAFQWSA-N 1 0 324.377 2.604 20 10 DFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCSC3)cc2F)CC1 ZINC000278554968 427442166 /nfs/dbraw/zinc/44/21/66/427442166.db2.gz VOLVBJRUONWZOP-AWEZNQCLSA-N 1 0 324.465 2.630 20 10 DFCDRO COc1c([O-])c(C[NH2+]CCSCC(C)C)ccc1[N+](=O)[O-] ZINC000278473393 427443658 /nfs/dbraw/zinc/44/36/58/427443658.db2.gz HWJHPGUKXKQTMS-UHFFFAOYSA-N 1 0 314.407 2.788 20 10 DFCDRO COc1c([O-])c(C[NH2+][C@H]2CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000278488767 427443956 /nfs/dbraw/zinc/44/39/56/427443956.db2.gz KWSCVNAMPYKHRU-LBPRGKRZSA-N 1 0 322.361 2.500 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000278633949 427444886 /nfs/dbraw/zinc/44/48/86/427444886.db2.gz SAQNUCWQMQQGMW-RLFYNMQTSA-N 1 0 304.434 2.599 20 10 DFCDRO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(Cl)ccc1O ZINC000184865955 427554440 /nfs/dbraw/zinc/55/44/40/427554440.db2.gz ICQABKRSJIEZIC-GFCCVEGCSA-N 1 0 312.841 2.807 20 10 DFCDRO C[C@@H]([NH2+]CCn1ccnc1)c1cc(Br)ccc1O ZINC000184868315 427554932 /nfs/dbraw/zinc/55/49/32/427554932.db2.gz TVZNRSBWALKLLT-SNVBAGLBSA-N 1 0 310.195 2.702 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000278944855 427510359 /nfs/dbraw/zinc/51/03/59/427510359.db2.gz YQJVGLYPSRDOJI-ZDUSSCGKSA-N 1 0 305.418 2.994 20 10 DFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000184654177 427511972 /nfs/dbraw/zinc/51/19/72/427511972.db2.gz OSJUTQCATNRMDZ-AWEZNQCLSA-N 1 0 303.450 2.537 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[NH+](CC3CC3)CC2)c1O ZINC000184681340 427516953 /nfs/dbraw/zinc/51/69/53/427516953.db2.gz FJJGHHIKBOJEPT-UHFFFAOYSA-N 1 0 310.825 2.582 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000294010151 427521241 /nfs/dbraw/zinc/52/12/41/427521241.db2.gz MVIZXPDFNPDBQI-ROUUACIJSA-N 1 0 303.402 2.934 20 10 DFCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(F)cc(C(C)=O)c1O ZINC000286423000 427521884 /nfs/dbraw/zinc/52/18/84/427521884.db2.gz IMVLYEXHPXHBCR-WADBZAEESA-N 1 0 319.376 2.589 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)Cn2ccnc2C)c1O ZINC000184706000 427525249 /nfs/dbraw/zinc/52/52/49/427525249.db2.gz APYXLQURWHIEDN-NSHDSACASA-N 1 0 323.824 2.985 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1F ZINC000271442040 427537415 /nfs/dbraw/zinc/53/74/15/427537415.db2.gz PYGRUGDEZQIWSZ-CQSZACIVSA-N 1 0 308.397 2.667 20 10 DFCDRO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(Cl)ccc1O ZINC000184865935 427555896 /nfs/dbraw/zinc/55/58/96/427555896.db2.gz ICQABKRSJIEZIC-LBPRGKRZSA-N 1 0 312.841 2.807 20 10 DFCDRO CCOc1cccc(C[NH2+]Cc2cn3c(n2)CCCC3)c1O ZINC000263767073 427563279 /nfs/dbraw/zinc/56/32/79/427563279.db2.gz JDJHLYOFSWAHKB-UHFFFAOYSA-N 1 0 301.390 2.614 20 10 DFCDRO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1O ZINC000184914791 427565353 /nfs/dbraw/zinc/56/53/53/427565353.db2.gz YNOCBCYZKBODHU-MJBXVCDLSA-N 1 0 310.413 2.681 20 10 DFCDRO C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)N1CCOCC1 ZINC000184935309 427566360 /nfs/dbraw/zinc/56/63/60/427566360.db2.gz KWFGWTWZCPRMCQ-CABCVRRESA-N 1 0 314.429 2.917 20 10 DFCDRO CCN(Cc1ccc(N(C)C)cc1)Cc1nccnc1OC ZINC000294151533 427567173 /nfs/dbraw/zinc/56/71/73/427567173.db2.gz HMWCQWLXRABPFH-UHFFFAOYSA-N 1 0 300.406 2.573 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000271811369 427583905 /nfs/dbraw/zinc/58/39/05/427583905.db2.gz KYSHLQAKWDXMCW-AWEZNQCLSA-N 1 0 323.458 2.935 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1OC ZINC000271765122 427585820 /nfs/dbraw/zinc/58/58/20/427585820.db2.gz AHCDVGBJJUOMNL-DZGCQCFKSA-N 1 0 309.406 2.703 20 10 DFCDRO Cc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1O ZINC000271859972 427591183 /nfs/dbraw/zinc/59/11/83/427591183.db2.gz KECKZUGIQCOVJG-UHFFFAOYSA-N 1 0 302.340 2.817 20 10 DFCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(F)ccc1O ZINC000185079618 427591709 /nfs/dbraw/zinc/59/17/09/427591709.db2.gz QIBIHMIPSUXHRJ-CYBMUJFWSA-N 1 0 316.376 2.841 20 10 DFCDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000192920442 427635893 /nfs/dbraw/zinc/63/58/93/427635893.db2.gz ZFNDWWVTPZTKKA-CYBMUJFWSA-N 1 0 300.402 2.968 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(Br)cc1O ZINC000185387040 427643203 /nfs/dbraw/zinc/64/32/03/427643203.db2.gz JCYAWWVVRREQKT-GXSJLCMTSA-N 1 0 300.196 2.984 20 10 DFCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1)C(N)=O ZINC000294751202 427651390 /nfs/dbraw/zinc/65/13/90/427651390.db2.gz IESNTAMAWGXKMK-LBPRGKRZSA-N 1 0 308.397 2.645 20 10 DFCDRO CC(C)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccn1 ZINC000294775890 427656746 /nfs/dbraw/zinc/65/67/46/427656746.db2.gz KRLBPSYHWMTGQY-UHFFFAOYSA-N 1 0 300.358 2.583 20 10 DFCDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185463838 427658498 /nfs/dbraw/zinc/65/84/98/427658498.db2.gz PSGPXOOCZMSWBS-RNCFNFMXSA-N 1 0 302.212 2.822 20 10 DFCDRO C[C@@H]([NH2+]C1CC1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000294819617 427660863 /nfs/dbraw/zinc/66/08/63/427660863.db2.gz RFUPHFMXSWNURS-OAHLLOKOSA-N 1 0 315.461 2.776 20 10 DFCDRO C[C@H](c1nccs1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000185609265 427680123 /nfs/dbraw/zinc/68/01/23/427680123.db2.gz LOMAMOCEUYQBJH-CYBMUJFWSA-N 1 0 303.431 2.728 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1O ZINC000295092089 427688403 /nfs/dbraw/zinc/68/84/03/427688403.db2.gz AENNBNIHUHVSJH-WQVCFCJDSA-N 1 0 307.365 2.637 20 10 DFCDRO CC(C)[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000298739895 427692701 /nfs/dbraw/zinc/69/27/01/427692701.db2.gz WVCJDDMPXUFMCB-UHFFFAOYSA-N 1 0 305.466 2.878 20 10 DFCDRO CC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185800869 427708543 /nfs/dbraw/zinc/70/85/43/427708543.db2.gz RNIHNSONVDLNEH-KOLCDFICSA-N 1 0 302.212 2.966 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc(F)ccc1O ZINC000185813274 427711613 /nfs/dbraw/zinc/71/16/13/427711613.db2.gz MKMMTPCZHSYABZ-BLLLJJGKSA-N 1 0 314.360 2.987 20 10 DFCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CCC=CO3)CC2)cc1 ZINC000193789501 427715568 /nfs/dbraw/zinc/71/55/68/427715568.db2.gz OWXVXKKGBGGYHA-SFHVURJKSA-N 1 0 302.418 2.900 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000279778061 427719189 /nfs/dbraw/zinc/71/91/89/427719189.db2.gz BVMCPBGOTHGMTE-LLVKDONJSA-N 1 0 302.340 2.898 20 10 DFCDRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1=O ZINC000186048400 427743859 /nfs/dbraw/zinc/74/38/59/427743859.db2.gz OQDYMFQWABEXEC-DYVFJYSZSA-N 1 0 316.445 2.931 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1O ZINC000186088722 427746487 /nfs/dbraw/zinc/74/64/87/427746487.db2.gz KKHKBISWXWRNKK-GXTWGEPZSA-N 1 0 310.397 2.959 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C2CC2)O1 ZINC000369527874 427989749 /nfs/dbraw/zinc/98/97/49/427989749.db2.gz POQBOBCTIZVDLK-DNVCBOLYSA-N 1 0 316.445 2.523 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1O ZINC000359977111 428100169 /nfs/dbraw/zinc/10/01/69/428100169.db2.gz VNXFFJDLMPYAPA-FZMZJTMJSA-N 1 0 310.825 2.580 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000370212097 428156378 /nfs/dbraw/zinc/15/63/78/428156378.db2.gz HBQXJYMEXCTUHH-HOCLYGCPSA-N 1 0 300.406 2.847 20 10 DFCDRO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000370620071 428255430 /nfs/dbraw/zinc/25/54/30/428255430.db2.gz KGNQKZDQPCOHLD-HNNXBMFYSA-N 1 0 310.441 2.933 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000371423261 428388293 /nfs/dbraw/zinc/38/82/93/428388293.db2.gz BWJMWTFPQSOUNE-HNNXBMFYSA-N 1 0 301.390 2.652 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3ccoc3)CC2)c1 ZINC000371412959 428389458 /nfs/dbraw/zinc/38/94/58/428389458.db2.gz ZNKMKCBVEKTVJR-UHFFFAOYSA-N 1 0 314.385 2.642 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2N2CCOCC2)c(O)c1 ZINC000371870277 428407379 /nfs/dbraw/zinc/40/73/79/428407379.db2.gz OXWJLLLDYPOIDH-LZLYRXPVSA-N 1 0 318.461 2.852 20 10 DFCDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000372080157 428411771 /nfs/dbraw/zinc/41/17/71/428411771.db2.gz BWLSUJFYDYIMQM-RBUKOAKNSA-N 1 0 315.461 2.728 20 10 DFCDRO CCc1nnc([C@@H]2C[N@H+]([C@@H](CC)c3ccccc3O)CCO2)[nH]1 ZINC000372486190 428453958 /nfs/dbraw/zinc/45/39/58/428453958.db2.gz VIHDNOCJIZIFDA-ZFWWWQNUSA-N 1 0 316.405 2.597 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000372500510 428455558 /nfs/dbraw/zinc/45/55/58/428455558.db2.gz CFRAAXOQMJLJNF-GOEBONIOSA-N 1 0 302.418 2.834 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]3CCO)CC2)cc1 ZINC000372495930 428456117 /nfs/dbraw/zinc/45/61/17/428456117.db2.gz NRYIUKUDZUBKGR-BEFAXECRSA-N 1 0 318.461 2.805 20 10 DFCDRO CN(C)c1ccc(C2=CC[N@H+](Cc3cccc(C(N)=O)c3)C2)cc1 ZINC000372801577 428504021 /nfs/dbraw/zinc/50/40/21/428504021.db2.gz LGLMSEDZYBCOJJ-UHFFFAOYSA-N 1 0 321.424 2.751 20 10 DFCDRO COc1ccc(O)c([C@H](C)N2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000372595915 428471238 /nfs/dbraw/zinc/47/12/38/428471238.db2.gz BWNTUYHHDAGPMX-KBPBESRZSA-N 1 0 322.474 2.585 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000373477846 428588085 /nfs/dbraw/zinc/58/80/85/428588085.db2.gz CCFXCEKDXDTVJH-QZTJIDSGSA-N 1 0 304.434 2.523 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000273613260 274003383 /nfs/dbraw/zinc/00/33/83/274003383.db2.gz WRASXZGMLBQQIV-AEGPPILISA-N 1 0 320.433 2.702 20 10 DFCDRO OC[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000373813654 428649332 /nfs/dbraw/zinc/64/93/32/428649332.db2.gz WODCRUVGRRXTHZ-SCLBCKFNSA-N 1 0 301.361 2.917 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCc2nnc(C)n2C1)c1ccc(C)cc1O ZINC000373853002 428652033 /nfs/dbraw/zinc/65/20/33/428652033.db2.gz WPFINXCKAFCLDO-UKRRQHHQSA-N 1 0 300.406 2.656 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000374087966 428663109 /nfs/dbraw/zinc/66/31/09/428663109.db2.gz UCWRNBKZYFJUFR-RTBURBONSA-N 1 0 316.445 2.667 20 10 DFCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]2CCC[C@H]2O1 ZINC000374251440 428670549 /nfs/dbraw/zinc/67/05/49/428670549.db2.gz XSTQRKMJTWECFV-TZMCWYRMSA-N 1 0 305.374 2.653 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000374284556 428672579 /nfs/dbraw/zinc/67/25/79/428672579.db2.gz AHYOFXOEODTFIF-HKUYNNGSSA-N 1 0 318.461 2.961 20 10 DFCDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2O)CN1 ZINC000362336569 428709714 /nfs/dbraw/zinc/70/97/14/428709714.db2.gz PBEPFSGROKZZLQ-SMDDNHRTSA-N 1 0 308.809 2.536 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)c(O)c1C ZINC000374514801 428690899 /nfs/dbraw/zinc/69/08/99/428690899.db2.gz PTWDDNUWGILKJJ-CWRNSKLLSA-N 1 0 302.418 2.813 20 10 DFCDRO CCOCc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000363441568 428917095 /nfs/dbraw/zinc/91/70/95/428917095.db2.gz HYGZBBQSCJPXNM-MSOLQXFVSA-N 1 0 318.461 2.948 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000363860072 428998620 /nfs/dbraw/zinc/99/86/20/428998620.db2.gz GEKRCBRFLBYOKE-ZDUSSCGKSA-N 1 0 313.397 2.581 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1 ZINC000363860127 429000463 /nfs/dbraw/zinc/00/04/63/429000463.db2.gz GHESAQCIPMAOOJ-BXUZGUMPSA-N 1 0 313.401 2.707 20 10 DFCDRO O=C(c1cn[nH]c1[C@H]1CCC[NH2+]C1)N1CC2(CC2)c2ccccc21 ZINC000423205375 429054771 /nfs/dbraw/zinc/05/47/71/429054771.db2.gz PKFXXTANETVMEG-ZDUSSCGKSA-N 1 0 322.412 2.569 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1O ZINC000363868538 429132004 /nfs/dbraw/zinc/13/20/04/429132004.db2.gz NUSDANAMTSHTGH-YPMHNXCESA-N 1 0 320.824 2.709 20 10 DFCDRO CCOc1cccc(C[N@H+](C)C[C@@H]2CCc3nccn3C2)c1O ZINC000364668517 429245423 /nfs/dbraw/zinc/24/54/23/429245423.db2.gz AXRPHVDDSLCXIP-AWEZNQCLSA-N 1 0 315.417 2.682 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365256885 429288658 /nfs/dbraw/zinc/28/86/58/429288658.db2.gz PNIVACQOEKCDJF-IFXJQAMLSA-N 1 0 313.397 2.786 20 10 DFCDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000271940786 275590533 /nfs/dbraw/zinc/59/05/33/275590533.db2.gz BQZYGRBDDSFUJP-UONOGXRCSA-N 1 0 307.390 2.804 20 10 DFCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](C)O2 ZINC000365751448 429367355 /nfs/dbraw/zinc/36/73/55/429367355.db2.gz CETDPMYZDWRYQJ-BFQNTYOBSA-N 1 0 311.809 2.814 20 10 DFCDRO Cc1ccc(/C=C\C(=O)N(CC[NH+](C)C)c2ccccc2)cn1 ZINC000492511318 429554651 /nfs/dbraw/zinc/55/46/51/429554651.db2.gz XNKLRZBKUUKJAA-QXMHVHEDSA-N 1 0 309.413 2.998 20 10 DFCDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)c1ccco1 ZINC000367350238 429627995 /nfs/dbraw/zinc/62/79/95/429627995.db2.gz SYEJNEXUYQABCH-AWEZNQCLSA-N 1 0 314.385 2.627 20 10 DFCDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cc(OC)ccc2O)CC12CCC2 ZINC000367371711 429634174 /nfs/dbraw/zinc/63/41/74/429634174.db2.gz QUGXZSJQQBUTMZ-WFASDCNBSA-N 1 0 319.401 2.737 20 10 DFCDRO Oc1ccc2ccccc2c1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000367423622 429643425 /nfs/dbraw/zinc/64/34/25/429643425.db2.gz VUEITQNNJRBXQS-HNAYVOBHSA-N 1 0 313.397 2.973 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)CC3=CCCOC3)CC2)cc1 ZINC000367428768 429645514 /nfs/dbraw/zinc/64/55/14/429645514.db2.gz HYEPFVJOODKWFC-UHFFFAOYSA-N 1 0 316.445 2.943 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1cc(Cl)ccc1O ZINC000367434912 429648885 /nfs/dbraw/zinc/64/88/85/429648885.db2.gz ABNARYRLWDMZCJ-UOWOHEGISA-N 1 0 308.809 2.753 20 10 DFCDRO COc1cc(O)c(C[NH+]2CCC(OCC3CC3)CC2)cc1OC ZINC000367227232 429602186 /nfs/dbraw/zinc/60/21/86/429602186.db2.gz XHPWIODSPUONCC-UHFFFAOYSA-N 1 0 321.417 2.800 20 10 DFCDRO Cc1cc(O)c(CN2CC[NH+]([C@H]3CCSC3)CC2)cc1C ZINC000367536587 429667643 /nfs/dbraw/zinc/66/76/43/429667643.db2.gz VUPVSUUISUKGGX-INIZCTEOSA-N 1 0 306.475 2.632 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000367667732 429695565 /nfs/dbraw/zinc/69/55/65/429695565.db2.gz CZRHCYOBGRXTOE-BFYDXBDKSA-N 1 0 304.434 2.638 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c1O ZINC000367716385 429705612 /nfs/dbraw/zinc/70/56/12/429705612.db2.gz DJKMDLOVCXXPFM-UHFFFAOYSA-N 1 0 302.418 2.581 20 10 DFCDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152976758 276428193 /nfs/dbraw/zinc/42/81/93/276428193.db2.gz ZLJOLJIQLJCEDR-HIFRSBDPSA-N 1 0 310.413 2.738 20 10 DFCDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000368052592 429776770 /nfs/dbraw/zinc/77/67/70/429776770.db2.gz XBRNLVXQHLSCEF-HNNXBMFYSA-N 1 0 302.374 2.788 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c(O)c1 ZINC000368360981 429836508 /nfs/dbraw/zinc/83/65/08/429836508.db2.gz BCSKHLFAAKAZOF-JGGQBBKZSA-N 1 0 311.447 2.707 20 10 DFCDRO CC[C@H]([NH2+]CC1COC1)c1cc(Br)ccc1O ZINC000528029646 429838849 /nfs/dbraw/zinc/83/88/49/429838849.db2.gz ZWNCQDZSQVGXDZ-LBPRGKRZSA-N 1 0 300.196 2.842 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000368567580 429867737 /nfs/dbraw/zinc/86/77/37/429867737.db2.gz NFOLWQPZTANXDA-BZUAXINKSA-N 1 0 303.402 2.913 20 10 DFCDRO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2O)o1 ZINC000368678871 429886710 /nfs/dbraw/zinc/88/67/10/429886710.db2.gz VNBIDGRATUCENC-INIZCTEOSA-N 1 0 314.385 2.958 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1F ZINC000369387606 429935947 /nfs/dbraw/zinc/93/59/47/429935947.db2.gz CCJNLLDWQOINAV-MRXNPFEDSA-N 1 0 315.392 2.940 20 10 DFCDRO COc1cccc([C@H](C[NH2+]Cc2cc(OC)ccc2O)OC)c1 ZINC000529640595 430046067 /nfs/dbraw/zinc/04/60/67/430046067.db2.gz VUXLPFQSAUYTIP-SFHVURJKSA-N 1 0 317.385 2.887 20 10 DFCDRO CCOC[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000530103942 430097563 /nfs/dbraw/zinc/09/75/63/430097563.db2.gz ACCRJPYSSLGRBB-KRWDZBQOSA-N 1 0 305.418 2.508 20 10 DFCDRO COc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)c1O ZINC000365164731 278012848 /nfs/dbraw/zinc/01/28/48/278012848.db2.gz RVFSMXBHLLVTEE-QAPCUYQASA-N 1 0 313.397 2.786 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)CC2 ZINC000297923864 280454580 /nfs/dbraw/zinc/45/45/80/280454580.db2.gz XIOCZTLYJIQOHL-CYBMUJFWSA-N 1 0 314.351 2.996 20 10 DFCDRO C[C@@H]1c2ccccc2O[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000365846354 289085665 /nfs/dbraw/zinc/08/56/65/289085665.db2.gz IEYKCHIMHOWWDF-ADLMAVQZSA-N 1 0 313.353 2.775 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1O ZINC000176984874 332966989 /nfs/dbraw/zinc/96/69/89/332966989.db2.gz AOWLCTLZIMSMGX-OCCSQVGLSA-N 1 0 316.380 2.641 20 10 DFCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000182847490 333048239 /nfs/dbraw/zinc/04/82/39/333048239.db2.gz LJXSOHVOAQKHTG-HUUCEWRRSA-N 1 0 303.450 2.619 20 10 DFCDRO CCC[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC000179497002 333151213 /nfs/dbraw/zinc/15/12/13/333151213.db2.gz BBCBBSYKDZBWPL-QGZVFWFLSA-N 1 0 303.450 2.633 20 10 DFCDRO C[C@@](O)(C[NH2+]Cc1cc(F)ccc1O)c1ccc(F)cc1F ZINC000180740261 333165036 /nfs/dbraw/zinc/16/50/36/333165036.db2.gz PTYMSOLZWZDDEJ-MRXNPFEDSA-N 1 0 311.303 2.807 20 10 DFCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000294622761 335126571 /nfs/dbraw/zinc/12/65/71/335126571.db2.gz YULSYURWNSBNRB-MRXNPFEDSA-N 1 0 302.443 2.951 20 10 DFCDRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Cl)ccc1O ZINC000185449688 333208770 /nfs/dbraw/zinc/20/87/70/333208770.db2.gz UGNYQRRYVCFCSS-GFCCVEGCSA-N 1 0 312.841 2.807 20 10 DFCDRO C[C@H](CCCO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185689767 333211895 /nfs/dbraw/zinc/21/18/95/333211895.db2.gz HHXIIFLNYUHBFR-ZJUUUORDSA-N 1 0 302.212 2.966 20 10 DFCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)O ZINC000294933919 335128978 /nfs/dbraw/zinc/12/89/78/335128978.db2.gz HQBLHUOZDVZEEI-GUYCJALGSA-N 1 0 324.440 2.862 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1O ZINC000294934263 335128987 /nfs/dbraw/zinc/12/89/87/335128987.db2.gz ZRITXCNZBHWDMZ-MRXNPFEDSA-N 1 0 301.386 2.748 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)c(O)c1 ZINC000188107622 333241539 /nfs/dbraw/zinc/24/15/39/333241539.db2.gz WYYRINXBJBNQFB-CJNGLKHVSA-N 1 0 321.417 2.812 20 10 DFCDRO CC[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@H](O)C(F)F ZINC000295042927 335130202 /nfs/dbraw/zinc/13/02/02/335130202.db2.gz MSPKNMGEUDMYKF-ONGXEEELSA-N 1 0 324.165 2.649 20 10 DFCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H](O)C(F)F ZINC000295083828 335132306 /nfs/dbraw/zinc/13/23/06/335132306.db2.gz QSZQQDAXANZDBI-CABZTGNLSA-N 1 0 309.740 2.548 20 10 DFCDRO CN(C)c1ccc(CNC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000185352609 333369693 /nfs/dbraw/zinc/36/96/93/333369693.db2.gz RBPYDSINUSSCQL-UHFFFAOYSA-N 1 0 303.450 2.668 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000296250949 335142556 /nfs/dbraw/zinc/14/25/56/335142556.db2.gz BIOULTUMAIPVAX-SJLPKXTDSA-N 1 0 319.493 2.640 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+]C(C)(C)C(C)(C)O)cc2)CC1 ZINC000296396157 335143913 /nfs/dbraw/zinc/14/39/13/335143913.db2.gz VJMZGRGTJURQMW-UHFFFAOYSA-N 1 0 320.477 2.941 20 10 DFCDRO CS(=O)(=O)CC1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297265822 335152237 /nfs/dbraw/zinc/15/22/37/335152237.db2.gz KIQYFSLQRMPGGX-ZALBZXLWSA-N 1 0 323.458 2.573 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(C)cc1O ZINC000297305400 335152856 /nfs/dbraw/zinc/15/28/56/335152856.db2.gz MOUFCOGMIGWWEI-WBVHZDCISA-N 1 0 306.450 2.588 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(C)cc1O ZINC000297305393 335152883 /nfs/dbraw/zinc/15/28/83/335152883.db2.gz MOUFCOGMIGWWEI-RDJZCZTQSA-N 1 0 306.450 2.588 20 10 DFCDRO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cc(F)ccc1O ZINC000297340847 335153217 /nfs/dbraw/zinc/15/32/17/335153217.db2.gz OMRDCCODMOKOJK-XHDPSFHLSA-N 1 0 307.340 2.925 20 10 DFCDRO COc1c(O)c(C[N@H+](C)[C@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000278515939 334097425 /nfs/dbraw/zinc/09/74/25/334097425.db2.gz QSQPTNDEAFBCSX-LLVKDONJSA-N 1 0 317.345 2.897 20 10 DFCDRO COc1c([O-])c(C[NH2+]Cc2sccc2C)ccc1[N+](=O)[O-] ZINC000278928085 334103762 /nfs/dbraw/zinc/10/37/62/334103762.db2.gz VSVPRMXPVKJTFG-UHFFFAOYSA-N 1 0 308.359 2.969 20 10 DFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C12CCC[NH+]1CCC2 ZINC000279099498 334105388 /nfs/dbraw/zinc/10/53/88/334105388.db2.gz AKZTXDSHOUYWMZ-UHFFFAOYSA-N 1 0 313.445 2.531 20 10 DFCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000295066241 334216910 /nfs/dbraw/zinc/21/69/10/334216910.db2.gz ROMBLYZPWDKADG-UGSOOPFHSA-N 1 0 322.424 2.738 20 10 DFCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H]1CCc3cccc(O)c31)C2 ZINC000296833277 334237147 /nfs/dbraw/zinc/23/71/47/334237147.db2.gz MQRNXJQBYLKAKX-HOCLYGCPSA-N 1 0 311.381 2.981 20 10 DFCDRO CCCN(CCC)c1ccc(C[NH2+]CC(=O)NC2CC2)cc1 ZINC000298414211 334248582 /nfs/dbraw/zinc/24/85/82/334248582.db2.gz NXUBLOWESJGOOF-UHFFFAOYSA-N 1 0 303.450 2.681 20 10 DFCDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000192743674 336260246 /nfs/dbraw/zinc/26/02/46/336260246.db2.gz QDHLOEKCWRLWMG-ZDUSSCGKSA-N 1 0 306.406 2.972 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000192914436 336284244 /nfs/dbraw/zinc/28/42/44/336284244.db2.gz MZRADFYJQUFRJE-SWLSCSKDSA-N 1 0 304.390 2.947 20 10 DFCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc(N(C)C)nc1 ZINC000355120507 336495523 /nfs/dbraw/zinc/49/55/23/336495523.db2.gz KAOROTFYGDTWFE-UHFFFAOYSA-N 1 0 309.417 2.633 20 10 DFCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc2cnccn12 ZINC000355131478 336495969 /nfs/dbraw/zinc/49/59/69/336495969.db2.gz ZCSGBCFBSNREIC-UHFFFAOYSA-N 1 0 305.385 2.819 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1O ZINC000362042589 336783050 /nfs/dbraw/zinc/78/30/50/336783050.db2.gz UNIMOBYWZCKBTJ-UHFFFAOYSA-N 1 0 312.417 2.618 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(OC3CCOCC3)CC2)c1O ZINC000362047071 336783345 /nfs/dbraw/zinc/78/33/45/336783345.db2.gz QAZABZZIRYQYDH-UHFFFAOYSA-N 1 0 305.418 2.861 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000368103823 336838090 /nfs/dbraw/zinc/83/80/90/336838090.db2.gz YXJWPXAHPNFTBE-ROUUACIJSA-N 1 0 323.440 2.776 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1cc(Cl)ccc1O ZINC000368332345 336842619 /nfs/dbraw/zinc/84/26/19/336842619.db2.gz NHBIZYLFRPFNOI-FZMZJTMJSA-N 1 0 310.825 2.559 20 10 DFCDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1ccccc1O ZINC000368647717 336849778 /nfs/dbraw/zinc/84/97/78/336849778.db2.gz YTMPLKRMCUAMAX-KBPBESRZSA-N 1 0 324.396 2.829 20 10 DFCDRO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1ccc3c(c1)CCN3C)CCC2 ZINC000369772594 336871626 /nfs/dbraw/zinc/87/16/26/336871626.db2.gz LRBQVNUNXCJTFO-QGZVFWFLSA-N 1 0 310.445 2.851 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000371515295 336906865 /nfs/dbraw/zinc/90/68/65/336906865.db2.gz VCLGFSOLQCAIQR-GDBMZVCRSA-N 1 0 311.809 2.782 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000375271478 337007086 /nfs/dbraw/zinc/00/70/86/337007086.db2.gz ZPDYHWPTHMQPOA-GFCCVEGCSA-N 1 0 301.390 2.784 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000375300298 337007521 /nfs/dbraw/zinc/00/75/21/337007521.db2.gz ZGLQBAQXBPPHLM-HXUWFJFHSA-N 1 0 321.424 2.848 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CCOCC3(CCCC3)C1)OCO2 ZINC000375389645 337010158 /nfs/dbraw/zinc/01/01/58/337010158.db2.gz GAEJVNWHOUQGOX-UHFFFAOYSA-N 1 0 305.374 2.514 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cc(F)ccc1O ZINC000376029135 337025625 /nfs/dbraw/zinc/02/56/25/337025625.db2.gz NBQKMUSCMZKWPC-OCCSQVGLSA-N 1 0 318.396 2.584 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000376122393 337027612 /nfs/dbraw/zinc/02/76/12/337027612.db2.gz HYKYQXPTVZHOME-HOTGVXAUSA-N 1 0 318.461 2.926 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000376440031 337033541 /nfs/dbraw/zinc/03/35/41/337033541.db2.gz DPQUBKKLMGIPPJ-CRAIPNDOSA-N 1 0 321.417 2.561 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1cc(F)ccc1O ZINC000376896173 337043396 /nfs/dbraw/zinc/04/33/96/337043396.db2.gz YXQQVVWGZMKYFZ-IAOVAPTHSA-N 1 0 322.424 2.825 20 10 DFCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@]2(CCCOC2)O1 ZINC000377216591 337048855 /nfs/dbraw/zinc/04/88/55/337048855.db2.gz VGLXIQKVXNGWRZ-MAUKXSAKSA-N 1 0 304.434 2.523 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000377403324 337052043 /nfs/dbraw/zinc/05/20/43/337052043.db2.gz NLUMPRKWKXNMLD-CZUORRHYSA-N 1 0 305.761 2.630 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000377550891 337055144 /nfs/dbraw/zinc/05/51/44/337055144.db2.gz SLMWGYVWUVYWAB-NUEKZKHPSA-N 1 0 302.418 2.834 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000377672050 337058122 /nfs/dbraw/zinc/05/81/22/337058122.db2.gz AOBHJNLDQDTSJN-AEGPPILISA-N 1 0 317.389 2.997 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000377852435 337062585 /nfs/dbraw/zinc/06/25/85/337062585.db2.gz QGHRTHZQMNNLDC-GOEBONIOSA-N 1 0 302.418 2.788 20 10 DFCDRO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(OC)ccc1O ZINC000378453346 337073218 /nfs/dbraw/zinc/07/32/18/337073218.db2.gz INCLEPXWGGEDFM-HNNXBMFYSA-N 1 0 301.390 2.784 20 10 DFCDRO Cn1cc(N2CC[C@H]([NH2+]Cc3c(O)ccc4ccccc43)C2)cn1 ZINC000378477267 337073707 /nfs/dbraw/zinc/07/37/07/337073707.db2.gz SSMBRZIRCWLKJX-HNNXBMFYSA-N 1 0 322.412 2.647 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000378520981 337075129 /nfs/dbraw/zinc/07/51/29/337075129.db2.gz OKBYAIAVQYLPRH-SFHVURJKSA-N 1 0 301.361 2.933 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]Cc2nc(C)n3c2CCCC3)c1 ZINC000360054625 337084353 /nfs/dbraw/zinc/08/43/53/337084353.db2.gz BSLMMPJISAEVCH-UHFFFAOYSA-N 1 0 315.417 2.922 20 10 DFCDRO Cc1cc(C(=O)NCC[C@H](C)[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000178671408 337166033 /nfs/dbraw/zinc/16/60/33/337166033.db2.gz ZJDJEKBQESXOSW-NSHDSACASA-N 1 0 303.381 2.700 20 10 DFCDRO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179559005 337170365 /nfs/dbraw/zinc/17/03/65/337170365.db2.gz WCQONBLWWDUQJX-UHFFFAOYSA-N 1 0 310.397 2.740 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552359 337249047 /nfs/dbraw/zinc/24/90/47/337249047.db2.gz DPDJSEJZVIGSAY-CABCVRRESA-N 1 0 314.433 2.754 20 10 DFCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C12CCOCC2 ZINC000186213153 337254620 /nfs/dbraw/zinc/25/46/20/337254620.db2.gz GKIIBBHQLAWXMI-MSOLQXFVSA-N 1 0 318.461 2.816 20 10 DFCDRO CCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435667445 338244756 /nfs/dbraw/zinc/24/47/56/338244756.db2.gz KYTAIPADRONTOO-UHFFFAOYSA-N 1 0 313.445 2.934 20 10 DFCDRO C[C@@]1(C[NH2+]Cc2cc(F)ccc2O)COc2ccccc2O1 ZINC000529637174 340765875 /nfs/dbraw/zinc/76/58/75/340765875.db2.gz ORHTZUZWCAREOR-QGZVFWFLSA-N 1 0 303.333 2.851 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000245839022 341315770 /nfs/dbraw/zinc/31/57/70/341315770.db2.gz BBQBYZUAVJIGNG-GOSISDBHSA-N 1 0 312.413 2.890 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c1O ZINC000188014330 518283596 /nfs/dbraw/zinc/28/35/96/518283596.db2.gz UJBOCTNOHQCFCZ-DIFFPNOSSA-N 1 0 309.381 2.717 20 10 DFCDRO CCCNC(=O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000158364954 519880550 /nfs/dbraw/zinc/88/05/50/519880550.db2.gz RVQOEUWPFLYWKY-OAHLLOKOSA-N 1 0 303.450 2.854 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000180131375 521144239 /nfs/dbraw/zinc/14/42/39/521144239.db2.gz FHPSZBZYXWSSPA-INIZCTEOSA-N 1 0 315.417 2.960 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000128521208 521149105 /nfs/dbraw/zinc/14/91/05/521149105.db2.gz PPMSGQFCHQVKCR-ZDUSSCGKSA-N 1 0 301.390 2.514 20 10 DFCDRO CC[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccc(N(C)C)cc1 ZINC000156849092 521286288 /nfs/dbraw/zinc/28/62/88/521286288.db2.gz HOGBONWNXBCJQM-UHFFFAOYSA-N 1 0 317.458 2.935 20 10 DFCDRO CCOC(=O)c1csc(CC[NH2+]Cc2cccc(C)c2O)n1 ZINC000191511263 521589258 /nfs/dbraw/zinc/58/92/58/521589258.db2.gz RTVAONQGQMIYFK-UHFFFAOYSA-N 1 0 320.414 2.666 20 10 DFCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000155363595 522379152 /nfs/dbraw/zinc/37/91/52/522379152.db2.gz RRMZDBFGPOMBBS-RDTXWAMCSA-N 1 0 304.434 2.599 20 10 DFCDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000132758822 522494350 /nfs/dbraw/zinc/49/43/50/522494350.db2.gz ZQENQXHKZLGDOI-INIZCTEOSA-N 1 0 311.429 2.918 20 10 DFCDRO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1ccccc1O)CC2 ZINC000156506380 522535110 /nfs/dbraw/zinc/53/51/10/522535110.db2.gz OBVQFVJMIDMLCL-TZMCWYRMSA-N 1 0 300.406 2.602 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]2(CO)CC(C)C)cc1OC ZINC000188036478 522774281 /nfs/dbraw/zinc/77/42/81/522774281.db2.gz BKBJXPBMUFMXRN-GOSISDBHSA-N 1 0 323.433 2.782 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)cc1OC ZINC000182489577 522780968 /nfs/dbraw/zinc/78/09/68/522780968.db2.gz DFUXNGCDLKNGMO-NVXWUHKLSA-N 1 0 309.406 2.703 20 10 DFCDRO CC[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000119107487 522831546 /nfs/dbraw/zinc/83/15/46/522831546.db2.gz SKUMBSQOIJBDDI-ZWKOTPCHSA-N 1 0 306.450 2.989 20 10 DFCDRO COC(=O)C1([N@H+](C)Cc2cc(OC)ccc2O)CCCCC1 ZINC000180208871 522837209 /nfs/dbraw/zinc/83/72/09/522837209.db2.gz HAWBCKAZPQSGOI-UHFFFAOYSA-N 1 0 307.390 2.709 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000123381349 522859955 /nfs/dbraw/zinc/85/99/55/522859955.db2.gz VQQDVCGCLFRTQI-MAUKXSAKSA-N 1 0 305.466 2.514 20 10 DFCDRO COCCO[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000188917204 524032399 /nfs/dbraw/zinc/03/23/99/524032399.db2.gz VZDBWGPQJQELBR-OAHLLOKOSA-N 1 0 301.386 2.783 20 10 DFCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(C)n1-c1ccccc1 ZINC000262829020 524152191 /nfs/dbraw/zinc/15/21/91/524152191.db2.gz HQDKTUVDDABZJY-CJNGLKHVSA-N 1 0 311.429 2.964 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1O ZINC000363844580 524389045 /nfs/dbraw/zinc/38/90/45/524389045.db2.gz ISYPWXDVUJIMFV-HNNXBMFYSA-N 1 0 305.418 2.718 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H](OC)C3)CC2)cc1 ZINC000364811172 524404113 /nfs/dbraw/zinc/40/41/13/524404113.db2.gz NPKRRWZMLXNDQX-QAPCUYQASA-N 1 0 304.434 2.821 20 10 DFCDRO COc1ccccc1CNC(=[NH2+])NCc1ccc2c(c1)CCN2C ZINC000364420141 524457690 /nfs/dbraw/zinc/45/76/90/524457690.db2.gz VACYIQFXABTMFA-UHFFFAOYSA-N 1 0 324.428 2.502 20 10 DFCDRO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185098430 524741110 /nfs/dbraw/zinc/74/11/10/524741110.db2.gz QOWCRUQXHMCUJD-ZBEGNZNMSA-N 1 0 305.349 2.924 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000179986964 524746003 /nfs/dbraw/zinc/74/60/03/524746003.db2.gz FQNDTESRJHYGHL-CQSZACIVSA-N 1 0 313.401 2.730 20 10 DFCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000179878104 524757254 /nfs/dbraw/zinc/75/72/54/524757254.db2.gz WURNXSCQCIBBCS-CABCVRRESA-N 1 0 301.386 2.791 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c1 ZINC000363855812 524763420 /nfs/dbraw/zinc/76/34/20/524763420.db2.gz BEVMJDAMNJCZDP-CYBMUJFWSA-N 1 0 324.384 2.832 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227690126 524772469 /nfs/dbraw/zinc/77/24/69/524772469.db2.gz PTFMPRIWDCMYCJ-RYUDHWBXSA-N 1 0 324.421 2.965 20 10 DFCDRO Cc1cc(Cl)cc(C[N@H+](CCO)Cc2cccnc2)c1O ZINC000180052117 524861430 /nfs/dbraw/zinc/86/14/30/524861430.db2.gz PCMIFUYUSWOANX-UHFFFAOYSA-N 1 0 306.793 2.744 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(CC(=O)N(C)C)CC2)cc1C ZINC000180561274 525314923 /nfs/dbraw/zinc/31/49/23/525314923.db2.gz XWEUFARJSLTWGD-UHFFFAOYSA-N 1 0 304.434 2.699 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1C ZINC000365147521 525318579 /nfs/dbraw/zinc/31/85/79/525318579.db2.gz CDMQHXLQWJWHAG-JKSUJKDBSA-N 1 0 303.402 2.579 20 10 DFCDRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000186870838 525333155 /nfs/dbraw/zinc/33/31/55/525333155.db2.gz RSLIIBDNLKSGBG-AWEZNQCLSA-N 1 0 312.479 2.618 20 10 DFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1O ZINC000179902138 525495649 /nfs/dbraw/zinc/49/56/49/525495649.db2.gz IISWXKXFDWGCBA-OCCSQVGLSA-N 1 0 305.349 2.622 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1cc(Cl)ccc1O ZINC000367434911 525602491 /nfs/dbraw/zinc/60/24/91/525602491.db2.gz ABNARYRLWDMZCJ-LUFJJVMOSA-N 1 0 308.809 2.753 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCOC2)c1O ZINC000124589946 526157787 /nfs/dbraw/zinc/15/77/87/526157787.db2.gz VEPOEIRNDWBDGV-GFCCVEGCSA-N 1 0 300.196 2.684 20 10 DFCDRO Cc1cc(C(=O)N2CCC([NH3+])CC2)c(C)n1-c1ccccc1C ZINC000237729110 526238961 /nfs/dbraw/zinc/23/89/61/526238961.db2.gz LWEZZULURTZBCU-UHFFFAOYSA-N 1 0 311.429 2.966 20 10 DFCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000131117467 526362928 /nfs/dbraw/zinc/36/29/28/526362928.db2.gz VMYOZIITWXHVCR-AWEZNQCLSA-N 1 0 324.852 2.590 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000289389654 535751786 /nfs/dbraw/zinc/75/17/86/535751786.db2.gz DSVASHIDAUSMHE-UHFFFAOYSA-N 1 0 303.358 2.795 20 10 DFCDRO CC[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000284411187 535944262 /nfs/dbraw/zinc/94/42/62/535944262.db2.gz QGVLLSYVGACHRU-RYQLBKOJSA-N 1 0 322.493 2.951 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000287887268 536147265 /nfs/dbraw/zinc/14/72/65/536147265.db2.gz TXNRDRSMBPLKBJ-LJQANCHMSA-N 1 0 311.429 2.939 20 10 DFCDRO COC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000273396409 536411769 /nfs/dbraw/zinc/41/17/69/536411769.db2.gz LYRPNHNNOZEXQA-JTQLQIEISA-N 1 0 312.797 2.927 20 10 DFCDRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1O ZINC000824613860 608457723 /nfs/dbraw/zinc/45/77/23/608457723.db2.gz WTUHZHWFYDGBSV-JTQLQIEISA-N 1 0 313.336 2.562 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1O ZINC000824530682 608458835 /nfs/dbraw/zinc/45/88/35/608458835.db2.gz MSVOTCBHYBRBOK-NWDGAFQWSA-N 1 0 309.373 2.984 20 10 DFCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000007340425 398361460 /nfs/dbraw/zinc/36/14/60/398361460.db2.gz OQMYKJGTSSATCH-UHFFFAOYSA-N 1 0 303.450 2.633 20 10 DFCDRO CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000090183231 185286170 /nfs/dbraw/zinc/28/61/70/185286170.db2.gz ZLIRVROQQVHMOO-MRXNPFEDSA-N 1 0 324.490 2.618 20 10 DFCDRO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(N(C)C)cc1 ZINC000090184867 185286189 /nfs/dbraw/zinc/28/61/89/185286189.db2.gz IDOXRLNBRCQNIJ-CQSZACIVSA-N 1 0 303.450 2.710 20 10 DFCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000092734026 185337159 /nfs/dbraw/zinc/33/71/59/185337159.db2.gz PQFZWMVNZWJIRL-OAHLLOKOSA-N 1 0 320.433 2.529 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000092704169 185334483 /nfs/dbraw/zinc/33/44/83/185334483.db2.gz DWKFWLZKYFOXIF-OAHLLOKOSA-N 1 0 319.449 2.852 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1O ZINC000092812763 185343413 /nfs/dbraw/zinc/34/34/13/185343413.db2.gz XONWIQAVZWYQFA-CQSZACIVSA-N 1 0 313.401 2.730 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000299321467 529782178 /nfs/dbraw/zinc/78/21/78/529782178.db2.gz GRNFRLHJJKZOHQ-IBGZPJMESA-N 1 0 323.440 2.643 20 10 DFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1 ZINC000030633970 398505393 /nfs/dbraw/zinc/50/53/93/398505393.db2.gz YRQFTPLZOSHOKW-UHFFFAOYSA-N 1 0 321.428 2.682 20 10 DFCDRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000092097817 398557420 /nfs/dbraw/zinc/55/74/20/398557420.db2.gz SPKQTNHFNPHVQN-QGZVFWFLSA-N 1 0 310.397 2.770 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000093362546 398634007 /nfs/dbraw/zinc/63/40/07/398634007.db2.gz XKIHFDXHGJKWTR-SFHVURJKSA-N 1 0 315.461 2.730 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000093866202 398649019 /nfs/dbraw/zinc/64/90/19/398649019.db2.gz KQALDOWGLABLJZ-QGZVFWFLSA-N 1 0 314.385 2.839 20 10 DFCDRO COc1ccc(N2CC[NH+](C[C@H]3CCCCO3)CC2)cc1F ZINC000084866360 192472131 /nfs/dbraw/zinc/47/21/31/192472131.db2.gz MMVZYLFJKBSVBO-OAHLLOKOSA-N 1 0 308.397 2.525 20 10 DFCDRO CN(C)c1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000072844049 191237499 /nfs/dbraw/zinc/23/74/99/191237499.db2.gz VVYSDKWZGQELJP-UHFFFAOYSA-N 1 0 311.429 2.744 20 10 DFCDRO C[N@H+](CCc1ccncc1)Cc1ccc(N2CCOCC2)cc1 ZINC000072953288 191257572 /nfs/dbraw/zinc/25/75/72/191257572.db2.gz GNOWOXTWASWJEI-UHFFFAOYSA-N 1 0 311.429 2.593 20 10 DFCDRO CCC[NH+](CCC)CCCNC(=O)NCc1ccccc1O ZINC000076572824 398861883 /nfs/dbraw/zinc/86/18/83/398861883.db2.gz BGNMASJQHQQPRE-UHFFFAOYSA-N 1 0 307.438 2.704 20 10 DFCDRO COC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000152986052 283897024 /nfs/dbraw/zinc/89/70/24/283897024.db2.gz OPYYPGLKLFKDTA-ZDUSSCGKSA-N 1 0 305.422 2.634 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000094267494 193355653 /nfs/dbraw/zinc/35/56/53/193355653.db2.gz ALEXGLAPTSWCEX-CQSZACIVSA-N 1 0 308.809 2.528 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H]2COc3c(cccc3OC)C2)c1 ZINC000019635405 182134124 /nfs/dbraw/zinc/13/41/24/182134124.db2.gz FVNJIIAPJOLZQA-AWEZNQCLSA-N 1 0 315.369 2.503 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCN(C)C1)c1cc(Br)ccc1O ZINC000042544457 183283302 /nfs/dbraw/zinc/28/33/02/183283302.db2.gz INSANUNAYGSGPU-AAEUAGOBSA-N 1 0 313.239 2.900 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000366815224 335049594 /nfs/dbraw/zinc/04/95/94/335049594.db2.gz ZNCSXFGINUDESG-VKJFTORMSA-N 1 0 305.418 2.859 20 10 DFCDRO C[C@H](CCCCO)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000272246663 130012204 /nfs/dbraw/zinc/01/22/04/130012204.db2.gz BJROTMDEPYQWAM-HZPDHXFCSA-N 1 0 306.450 2.725 20 10 DFCDRO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccc(F)cc1 ZINC000272433928 130030438 /nfs/dbraw/zinc/03/04/38/130030438.db2.gz NQBDGWWQOMPHJE-CYBMUJFWSA-N 1 0 307.340 2.611 20 10 DFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000273157953 130093608 /nfs/dbraw/zinc/09/36/08/130093608.db2.gz BEXVDTFDTRBMQN-CYBMUJFWSA-N 1 0 319.449 2.645 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cnn(C)c2)c1O ZINC000273242606 130099978 /nfs/dbraw/zinc/09/99/78/130099978.db2.gz APPHBHOWAVRBFE-SECBINFHSA-N 1 0 307.781 2.833 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370975 130112937 /nfs/dbraw/zinc/11/29/37/130112937.db2.gz CJWFGNUPUSKCOO-YNEHKIRRSA-N 1 0 307.394 2.824 20 10 DFCDRO C[C@H]([NH2+]Cc1nccn1C)c1ccc(Br)cc1O ZINC000273364302 130113197 /nfs/dbraw/zinc/11/31/97/130113197.db2.gz BDAHXANBVASTSM-VIFPVBQESA-N 1 0 310.195 2.739 20 10 DFCDRO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc2ccccc2c1O ZINC000273441914 130122890 /nfs/dbraw/zinc/12/28/90/130122890.db2.gz YVMWWUPOOSGWQC-LBPRGKRZSA-N 1 0 308.385 2.934 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(Br)cc1O ZINC000273534373 130133947 /nfs/dbraw/zinc/13/39/47/130133947.db2.gz WYNSSHNOMZCHFM-YGOYTEALSA-N 1 0 300.196 2.983 20 10 DFCDRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc2c(cc1O)CCCC2 ZINC000273617785 130145955 /nfs/dbraw/zinc/14/59/55/130145955.db2.gz YACPOLSJALIYIX-CYBMUJFWSA-N 1 0 316.445 2.967 20 10 DFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000273976029 130193119 /nfs/dbraw/zinc/19/31/19/130193119.db2.gz TWHRORQGUBAIFR-CQSZACIVSA-N 1 0 304.356 2.886 20 10 DFCDRO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(N(C)C)cc1 ZINC000274326972 130226731 /nfs/dbraw/zinc/22/67/31/130226731.db2.gz ADWAGWIVZIXOLN-CYBMUJFWSA-N 1 0 316.474 2.948 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)c(O)c1C ZINC000274800258 130262007 /nfs/dbraw/zinc/26/20/07/130262007.db2.gz QWGQPINBMBSABG-AWEZNQCLSA-N 1 0 313.463 2.875 20 10 DFCDRO COc1ccc(N2CCN(Cc3cncc(F)c3)CC2)cc1F ZINC000275101165 130291462 /nfs/dbraw/zinc/29/14/62/130291462.db2.gz CJOYKMKYZGTXBB-UHFFFAOYSA-N 1 0 319.355 2.691 20 10 DFCDRO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O)C1CC1 ZINC000275846892 130396403 /nfs/dbraw/zinc/39/64/03/130396403.db2.gz WOBULPOSXMADPS-SFHVURJKSA-N 1 0 316.445 2.984 20 10 DFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285016604 131131557 /nfs/dbraw/zinc/13/15/57/131131557.db2.gz HHQUYKGJNGTABX-LJQANCHMSA-N 1 0 313.397 2.927 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)c(O)c1 ZINC000285084238 131137102 /nfs/dbraw/zinc/13/71/02/131137102.db2.gz JQXALJBHRZZBGM-CQSZACIVSA-N 1 0 313.463 2.875 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CCC=C(c3ccncc3)C1)OCO2 ZINC000285197052 131146760 /nfs/dbraw/zinc/14/67/60/131146760.db2.gz SHLFXAZCBFVPNC-UHFFFAOYSA-N 1 0 310.353 2.805 20 10 DFCDRO Cc1cc(O)c(C[NH2+]CCn2cc(Br)cn2)cc1C ZINC000285575297 131182064 /nfs/dbraw/zinc/18/20/64/131182064.db2.gz UPOFQFUINKAEOR-UHFFFAOYSA-N 1 0 324.222 2.758 20 10 DFCDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000285584714 131183226 /nfs/dbraw/zinc/18/32/26/131183226.db2.gz UFHLDXKVADPNAD-IUODEOHRSA-N 1 0 310.438 2.503 20 10 DFCDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccccc1O ZINC000285698707 131194234 /nfs/dbraw/zinc/19/42/34/131194234.db2.gz OTIZIJVHHBGLFK-AWEZNQCLSA-N 1 0 311.447 2.790 20 10 DFCDRO CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccc(F)cc1[O-] ZINC000285850817 131205487 /nfs/dbraw/zinc/20/54/87/131205487.db2.gz XUYBYUYWJFGEDS-QGZVFWFLSA-N 1 0 323.456 2.600 20 10 DFCDRO CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000286260948 131227586 /nfs/dbraw/zinc/22/75/86/131227586.db2.gz VCVXAVNQBYGVMI-PBHICJAKSA-N 1 0 323.456 2.598 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@](F)(CO)C2)c1O ZINC000286930636 131256830 /nfs/dbraw/zinc/25/68/30/131256830.db2.gz NHXWIXLTIRJUGZ-OAHLLOKOSA-N 1 0 315.772 2.545 20 10 DFCDRO CSC1(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000289154570 131362611 /nfs/dbraw/zinc/36/26/11/131362611.db2.gz QNOKUEPPTIKJIA-UHFFFAOYSA-N 1 0 306.475 2.851 20 10 DFCDRO COc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1O ZINC000289464519 131388542 /nfs/dbraw/zinc/38/85/42/131388542.db2.gz OTDXNGWCLFJIPT-ZYHUDNBSSA-N 1 0 305.296 2.600 20 10 DFCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000289521086 131392804 /nfs/dbraw/zinc/39/28/04/131392804.db2.gz PHLHUDMGWVIYOK-OAHLLOKOSA-N 1 0 306.406 2.801 20 10 DFCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(C)c2)c(OC)n1 ZINC000289585139 131399360 /nfs/dbraw/zinc/39/93/60/131399360.db2.gz MQZSVNVYVYGDSB-UHFFFAOYSA-N 1 0 302.374 2.706 20 10 DFCDRO COc1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000294966949 131874449 /nfs/dbraw/zinc/87/44/49/131874449.db2.gz IQOVCESWJCXOEL-UHFFFAOYSA-N 1 0 304.777 2.968 20 10 DFCDRO Cc1cccc(C(=O)NCC[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295950080 131930872 /nfs/dbraw/zinc/93/08/72/131930872.db2.gz LJNSHVQHARLAIE-MRXNPFEDSA-N 1 0 310.397 2.708 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)cc1OC ZINC000292747684 543017141 /nfs/dbraw/zinc/01/71/41/543017141.db2.gz IDAYJMVTHWAORM-KRWDZBQOSA-N 1 0 323.433 2.686 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C2CCCC2)cc1 ZINC000053814199 425888712 /nfs/dbraw/zinc/88/87/12/425888712.db2.gz GKQGRJQZMFPMDX-UHFFFAOYSA-N 1 0 303.450 2.585 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1O ZINC000102827309 425929090 /nfs/dbraw/zinc/92/90/90/425929090.db2.gz SNYVGSFHELLQTH-HNNXBMFYSA-N 1 0 322.836 2.918 20 10 DFCDRO COC[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000124599100 425928319 /nfs/dbraw/zinc/92/83/19/425928319.db2.gz QRUGZJQOHPLQBX-LLVKDONJSA-N 1 0 314.223 2.931 20 10 DFCDRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000038047181 425850530 /nfs/dbraw/zinc/85/05/30/425850530.db2.gz NNMHZCHQKAIEOO-GFCCVEGCSA-N 1 0 307.415 2.631 20 10 DFCDRO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071004417 425980894 /nfs/dbraw/zinc/98/08/94/425980894.db2.gz IFOXRVDLDJJCAV-UHFFFAOYSA-N 1 0 315.417 2.760 20 10 DFCDRO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235797 426038978 /nfs/dbraw/zinc/03/89/78/426038978.db2.gz KWUCXQXLISVCIH-GDBMZVCRSA-N 1 0 304.434 2.861 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(c3nncn3C)CC2)cc1C ZINC000126205616 426009995 /nfs/dbraw/zinc/00/99/95/426009995.db2.gz GCRVHQLOTASVIH-UHFFFAOYSA-N 1 0 300.406 2.517 20 10 DFCDRO CN(C)c1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1F ZINC000127720292 426082438 /nfs/dbraw/zinc/08/24/38/426082438.db2.gz GJXGLUVLONDVGI-UHFFFAOYSA-N 1 0 305.441 2.952 20 10 DFCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)Cc1ccccc1O ZINC000077644849 426141450 /nfs/dbraw/zinc/14/14/50/426141450.db2.gz KBPZIJKCJGVVBG-INIZCTEOSA-N 1 0 319.449 2.798 20 10 DFCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000170902084 426158745 /nfs/dbraw/zinc/15/87/45/426158745.db2.gz OBIMGUKOAOQNOD-GOSISDBHSA-N 1 0 315.461 2.777 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)N(C)C3CC3)CC2)cc1 ZINC000130957344 426163931 /nfs/dbraw/zinc/16/39/31/426163931.db2.gz NEBRVKASOGZAFS-OAHLLOKOSA-N 1 0 317.477 2.736 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1F ZINC000131336860 426164921 /nfs/dbraw/zinc/16/49/21/426164921.db2.gz ODVRWUPMEISDFO-MRXNPFEDSA-N 1 0 315.392 2.940 20 10 DFCDRO C[C@@H]([NH2+]CCc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000133446230 426178666 /nfs/dbraw/zinc/17/86/66/426178666.db2.gz HVKFTXXDRNHHBU-MRXNPFEDSA-N 1 0 311.429 2.812 20 10 DFCDRO O=C(CC1CC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269016 426185629 /nfs/dbraw/zinc/18/56/29/426185629.db2.gz IVABUHUZRGTAFP-HNNXBMFYSA-N 1 0 322.836 2.926 20 10 DFCDRO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000134264783 426186752 /nfs/dbraw/zinc/18/67/52/426186752.db2.gz GPMPGCDDDDQWMI-CQSZACIVSA-N 1 0 322.836 2.926 20 10 DFCDRO FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000079644385 426199779 /nfs/dbraw/zinc/19/97/79/426199779.db2.gz BXEIQLJFTJPYLE-ZDUSSCGKSA-N 1 0 314.351 2.595 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CCc3ccccn3)CC2)cc1 ZINC000151410034 426294541 /nfs/dbraw/zinc/29/45/41/426294541.db2.gz ODUYZABQTLGDAT-UHFFFAOYSA-N 1 0 311.429 2.891 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)CC)cc1 ZINC000089638291 426299797 /nfs/dbraw/zinc/29/97/97/426299797.db2.gz TVFGPJAZDURHTF-UONOGXRCSA-N 1 0 312.479 2.617 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000089728991 426304952 /nfs/dbraw/zinc/30/49/52/426304952.db2.gz XGQSWJBZYWGSFF-DLBZAZTESA-N 1 0 303.450 2.803 20 10 DFCDRO CC(C)(C)OC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000120668838 426313214 /nfs/dbraw/zinc/31/32/14/426313214.db2.gz JJIWBGJPWOBMDS-UHFFFAOYSA-N 1 0 307.390 2.900 20 10 DFCDRO CN(C)c1cccc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)c1 ZINC000120619131 426313974 /nfs/dbraw/zinc/31/39/74/426313974.db2.gz SEYYVEPHAFIJPL-UHFFFAOYSA-N 1 0 314.385 2.819 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(n3ccnc3)CC2)c1O ZINC000175663926 426320441 /nfs/dbraw/zinc/32/04/41/426320441.db2.gz KDFRKAZSDPFMPC-UHFFFAOYSA-N 1 0 317.364 2.768 20 10 DFCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COCc1ccccc1F ZINC000121140892 426321587 /nfs/dbraw/zinc/32/15/87/426321587.db2.gz YXCYCAUSPVBNEM-MRXNPFEDSA-N 1 0 319.376 2.541 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3ccco3)C2)c1O ZINC000121217618 426326461 /nfs/dbraw/zinc/32/64/61/426326461.db2.gz XBTYQEUDHCFMFN-MRXNPFEDSA-N 1 0 319.332 2.900 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCO[C@H](c3ccco3)C2)c1O ZINC000121217443 426326532 /nfs/dbraw/zinc/32/65/32/426326532.db2.gz XBTYQEUDHCFMFN-INIZCTEOSA-N 1 0 319.332 2.900 20 10 DFCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000090718056 426330475 /nfs/dbraw/zinc/33/04/75/426330475.db2.gz AMAMPLVOJIRSRH-GUYCJALGSA-N 1 0 322.424 2.738 20 10 DFCDRO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000122917573 426402661 /nfs/dbraw/zinc/40/26/61/426402661.db2.gz WIIJNVLHPBKPTJ-OAHLLOKOSA-N 1 0 315.417 2.997 20 10 DFCDRO Nc1ccc(CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000152566071 426347281 /nfs/dbraw/zinc/34/72/81/426347281.db2.gz OAJHFUPXDDWTCL-UHFFFAOYSA-N 1 0 323.440 2.837 20 10 DFCDRO CCn1cc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cn1 ZINC000092380647 426350374 /nfs/dbraw/zinc/35/03/74/426350374.db2.gz PMWLSBPBEPZMIR-UHFFFAOYSA-N 1 0 314.433 2.624 20 10 DFCDRO COc1cccc(C[NH+]2CCN(c3cccs3)CC2)c1O ZINC000093692235 426358928 /nfs/dbraw/zinc/35/89/28/426358928.db2.gz BPNORWGGCCDLEH-UHFFFAOYSA-N 1 0 304.415 2.785 20 10 DFCDRO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000153903319 426412601 /nfs/dbraw/zinc/41/26/01/426412601.db2.gz OZGNDFFJGCKCFO-ZDUSSCGKSA-N 1 0 315.417 2.979 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000177169869 426450560 /nfs/dbraw/zinc/45/05/60/426450560.db2.gz OOZSWQMCWUCLGZ-LBPRGKRZSA-N 1 0 310.825 2.632 20 10 DFCDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)Cc1ccccc1O ZINC000098030563 426476196 /nfs/dbraw/zinc/47/61/96/426476196.db2.gz RPQWJVXJLKXJQL-LSDHHAIUSA-N 1 0 319.449 2.654 20 10 DFCDRO Cc1cc(C(=O)NCCCC[NH+](C)C)c(C)n1-c1ccccn1 ZINC000264385096 426545243 /nfs/dbraw/zinc/54/52/43/426545243.db2.gz GWNFVONPIBVPFA-UHFFFAOYSA-N 1 0 314.433 2.561 20 10 DFCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1cccc(C)c1O)n2C ZINC000186559480 426551111 /nfs/dbraw/zinc/55/11/11/426551111.db2.gz ZTIJXKQHLDPOFJ-UHFFFAOYSA-N 1 0 311.385 2.886 20 10 DFCDRO CN(C)c1ccc(C[NH2+]Cc2cnn(C)c2)c(C(F)(F)F)c1 ZINC000280024737 426503319 /nfs/dbraw/zinc/50/33/19/426503319.db2.gz UFVWSVPEWRKSPR-UHFFFAOYSA-N 1 0 312.339 2.795 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000280411655 426570178 /nfs/dbraw/zinc/57/01/78/426570178.db2.gz HYRZHUSCEQYYPE-DEYYWGMASA-N 1 0 321.417 2.559 20 10 DFCDRO COc1cccc(C[N@H+](C)CCCN(C)Cc2ccco2)c1O ZINC000289664607 426670754 /nfs/dbraw/zinc/67/07/54/426670754.db2.gz DCYBPHJTKVHDLI-UHFFFAOYSA-N 1 0 318.417 2.948 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1 ZINC000289704739 426672415 /nfs/dbraw/zinc/67/24/15/426672415.db2.gz KORTUCMQKSLAIP-IRXDYDNUSA-N 1 0 323.440 2.776 20 10 DFCDRO CC(C)C(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000289725699 426673576 /nfs/dbraw/zinc/67/35/76/426673576.db2.gz GKAISEWEILCCBL-MRXNPFEDSA-N 1 0 305.418 2.988 20 10 DFCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000289866202 426674829 /nfs/dbraw/zinc/67/48/29/426674829.db2.gz GUIMTEPGYFFPFY-IRXDYDNUSA-N 1 0 303.450 2.537 20 10 DFCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@H]1CCCO1 ZINC000227437279 426625866 /nfs/dbraw/zinc/62/58/66/426625866.db2.gz UBMCUENCELMYPY-NOZJJQNGSA-N 1 0 300.196 2.812 20 10 DFCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O)OCO2 ZINC000281296483 426709713 /nfs/dbraw/zinc/70/97/13/426709713.db2.gz PKXMAHCRDNPFRG-RBSFLKMASA-N 1 0 319.401 2.636 20 10 DFCDRO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(OC)ccc1O ZINC000245923141 426782396 /nfs/dbraw/zinc/78/23/96/426782396.db2.gz YGNJPCITBDESDA-RCBQFDQVSA-N 1 0 319.401 2.707 20 10 DFCDRO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1O ZINC000290609429 426804216 /nfs/dbraw/zinc/80/42/16/426804216.db2.gz WJHWMTLJLZBGMD-OCCSQVGLSA-N 1 0 306.406 2.880 20 10 DFCDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000290630661 426809653 /nfs/dbraw/zinc/80/96/53/426809653.db2.gz XWTQYGSMCNETEV-UHFFFAOYSA-N 1 0 304.413 2.919 20 10 DFCDRO CCOc1ccc(O)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000179647059 426809795 /nfs/dbraw/zinc/80/97/95/426809795.db2.gz CTMPOWGHIQWSFQ-MRXNPFEDSA-N 1 0 304.434 2.851 20 10 DFCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCC13CCOCC3)OCO2 ZINC000282717048 426920345 /nfs/dbraw/zinc/92/03/45/426920345.db2.gz PZDLQMWJWUUQSV-MRXNPFEDSA-N 1 0 305.374 2.560 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(O)c1 ZINC000291162130 426877424 /nfs/dbraw/zinc/87/74/24/426877424.db2.gz CPVICPPQJCTLLF-CYBMUJFWSA-N 1 0 315.360 2.631 20 10 DFCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000291764857 426981348 /nfs/dbraw/zinc/98/13/48/426981348.db2.gz VAINMXOAFCKVKN-CQSZACIVSA-N 1 0 307.438 2.654 20 10 DFCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283323310 426995272 /nfs/dbraw/zinc/99/52/72/426995272.db2.gz ZUQBAGZSZJDYNA-INIZCTEOSA-N 1 0 324.424 2.986 20 10 DFCDRO Cc1cc([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)[nH]n1 ZINC000283038909 426938281 /nfs/dbraw/zinc/93/82/81/426938281.db2.gz NUGZMQKSIYWLGK-GFCCVEGCSA-N 1 0 315.373 2.532 20 10 DFCDRO O=C(CC[NH2+][C@H]1CCc2cccc(O)c21)NC1CCCCC1 ZINC000296060642 427060792 /nfs/dbraw/zinc/06/07/92/427060792.db2.gz ROKMEMXWSFCNCF-HNNXBMFYSA-N 1 0 302.418 2.808 20 10 DFCDRO O=C1OCC[C@@]12CCCN2Cc1ccc(N2CCCCC2)cc1 ZINC000190038027 427004189 /nfs/dbraw/zinc/00/41/89/427004189.db2.gz PHXQTFQNBBQOND-IBGZPJMESA-N 1 0 314.429 2.958 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)c(O)c1C ZINC000283446616 427014859 /nfs/dbraw/zinc/01/48/59/427014859.db2.gz UIBXXDPSXOWHFO-DZGCQCFKSA-N 1 0 302.418 2.861 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)CC2 ZINC000295812138 427018159 /nfs/dbraw/zinc/01/81/59/427018159.db2.gz CTTAABXSDRRKQV-WCQYABFASA-N 1 0 314.351 2.853 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1Cn1cncn1)CC2 ZINC000295950190 427023127 /nfs/dbraw/zinc/02/31/27/427023127.db2.gz LLKXMAWZWGFFPE-QGZVFWFLSA-N 1 0 320.396 2.809 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cc(Cl)ccc1O ZINC000283497876 427025709 /nfs/dbraw/zinc/02/57/09/427025709.db2.gz YOFDPDGTPFYKNF-YGRLFVJLSA-N 1 0 308.809 2.898 20 10 DFCDRO CO[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CC1(C)C ZINC000296027268 427048332 /nfs/dbraw/zinc/04/83/32/427048332.db2.gz NJKYZGFKNJQIIH-HNNXBMFYSA-N 1 0 309.381 2.981 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1OC ZINC000292064973 427073861 /nfs/dbraw/zinc/07/38/61/427073861.db2.gz KIZSGLNICNYLQA-OAHLLOKOSA-N 1 0 321.417 2.658 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1O ZINC000276745950 427118023 /nfs/dbraw/zinc/11/80/23/427118023.db2.gz DSMRMPBZUXTVET-AWEZNQCLSA-N 1 0 308.809 2.551 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000277215989 427137975 /nfs/dbraw/zinc/13/79/75/427137975.db2.gz NPYZXQZUYVFHPI-OAHLLOKOSA-N 1 0 308.397 2.650 20 10 DFCDRO CNC(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268880646 427138930 /nfs/dbraw/zinc/13/89/30/427138930.db2.gz ZVPHCEROKYIAEZ-AWEZNQCLSA-N 1 0 321.440 2.993 20 10 DFCDRO COC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268876980 427139233 /nfs/dbraw/zinc/13/92/33/427139233.db2.gz HJQAEHVSRYGSNX-CRAIPNDOSA-N 1 0 306.450 2.725 20 10 DFCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C ZINC000268922281 427139304 /nfs/dbraw/zinc/13/93/04/427139304.db2.gz KILZYEFGLKXONO-YJBOKZPZSA-N 1 0 306.450 2.845 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000268870599 427140016 /nfs/dbraw/zinc/14/00/16/427140016.db2.gz INDDGNBZNADYOT-QANKJYHBSA-N 1 0 322.424 2.616 20 10 DFCDRO C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000268962940 427141134 /nfs/dbraw/zinc/14/11/34/427141134.db2.gz XSPUZWCXKKGFFZ-LBPRGKRZSA-N 1 0 303.372 2.897 20 10 DFCDRO Cc1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)ccc1N(C)C ZINC000292898944 427205090 /nfs/dbraw/zinc/20/50/90/427205090.db2.gz VVPOOIUAYJNVEP-AWEZNQCLSA-N 1 0 302.340 2.560 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1O ZINC000277441762 427206790 /nfs/dbraw/zinc/20/67/90/427206790.db2.gz DWANRFAUPQRLFJ-INIZCTEOSA-N 1 0 304.434 2.897 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1 ZINC000183241339 427233909 /nfs/dbraw/zinc/23/39/09/427233909.db2.gz YBBIEHVQVQPFNF-MRXNPFEDSA-N 1 0 304.434 2.728 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000183338259 427249664 /nfs/dbraw/zinc/24/96/64/427249664.db2.gz WBUQMOIQQKCWDQ-GOEBONIOSA-N 1 0 322.424 2.882 20 10 DFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)ccc1N(C)C ZINC000293241051 427257133 /nfs/dbraw/zinc/25/71/33/427257133.db2.gz WMZWYHRNSKGCJO-MRXNPFEDSA-N 1 0 304.434 2.646 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1O ZINC000269810963 427281805 /nfs/dbraw/zinc/28/18/05/427281805.db2.gz OTGBFGYRNURKFP-HZMBPMFUSA-N 1 0 311.809 2.984 20 10 DFCDRO COc1cc(N2CC[NH+](CCC(C)C)CC2)cc(OC)c1OC ZINC000183696849 427323149 /nfs/dbraw/zinc/32/31/49/427323149.db2.gz PZOLJQGGMMUDOF-UHFFFAOYSA-N 1 0 322.449 2.881 20 10 DFCDRO C[NH2+][C@H](C)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000261653273 427338755 /nfs/dbraw/zinc/33/87/55/427338755.db2.gz FGROBTJRRRKQCN-LLVKDONJSA-N 1 0 303.381 2.571 20 10 DFCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000262829024 427375622 /nfs/dbraw/zinc/37/56/22/427375622.db2.gz HQDKTUVDDABZJY-XJKSGUPXSA-N 1 0 311.429 2.964 20 10 DFCDRO CC1(CO)CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000184075061 427387336 /nfs/dbraw/zinc/38/73/36/427387336.db2.gz RHAAKYLCPCJZCA-UHFFFAOYSA-N 1 0 314.223 2.749 20 10 DFCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1NC(=O)OC(C)(C)C ZINC000278132384 427413048 /nfs/dbraw/zinc/41/30/48/427413048.db2.gz CIPDADJDNMCJNT-SMDDNHRTSA-N 1 0 324.396 2.876 20 10 DFCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(C)n1-c1ccccc1 ZINC000262739619 427368134 /nfs/dbraw/zinc/36/81/34/427368134.db2.gz IYHSLHCQLAOTEC-UGSOOPFHSA-N 1 0 311.429 2.822 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278306550 427426100 /nfs/dbraw/zinc/42/61/00/427426100.db2.gz DUWSBRSBHXQRKD-YGRLFVJLSA-N 1 0 319.323 2.536 20 10 DFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)CC1 ZINC000278290233 427426681 /nfs/dbraw/zinc/42/66/81/427426681.db2.gz BFNLBRZFRJFHAX-KRWDZBQOSA-N 1 0 320.502 2.738 20 10 DFCDRO CCC1(O)CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000271169042 427427000 /nfs/dbraw/zinc/42/70/00/427427000.db2.gz DAWMXMSMMIVTFF-UHFFFAOYSA-N 1 0 314.223 2.892 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1NC(=O)OC(C)(C)C ZINC000278306757 427427292 /nfs/dbraw/zinc/42/72/92/427427292.db2.gz DWTTVJYKJFXOEH-TZMCWYRMSA-N 1 0 306.406 2.737 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000293763116 427428716 /nfs/dbraw/zinc/42/87/16/427428716.db2.gz XXJHEFQVQQAIBF-QGZVFWFLSA-N 1 0 303.402 2.792 20 10 DFCDRO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000278350060 427430572 /nfs/dbraw/zinc/43/05/72/427430572.db2.gz HVSJRVONKAIUBG-UHFFFAOYSA-N 1 0 315.392 2.656 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000271179370 427434007 /nfs/dbraw/zinc/43/40/07/427434007.db2.gz GUGDBXCJNSJONF-UHFFFAOYSA-N 1 0 301.390 2.894 20 10 DFCDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000278637623 427446679 /nfs/dbraw/zinc/44/66/79/427446679.db2.gz LFKXEHITASBKAF-UHFFFAOYSA-N 1 0 316.380 2.535 20 10 DFCDRO CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])OCCCO1 ZINC000192249546 427510021 /nfs/dbraw/zinc/51/00/21/427510021.db2.gz XSROJRQDQQMEFQ-UHFFFAOYSA-N 1 0 306.189 2.942 20 10 DFCDRO COc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1O ZINC000263673052 427537404 /nfs/dbraw/zinc/53/74/04/427537404.db2.gz KHKGKLJOUAEXPA-UHFFFAOYSA-N 1 0 318.339 2.517 20 10 DFCDRO COC(=O)C1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000192441020 427539735 /nfs/dbraw/zinc/53/97/35/427539735.db2.gz GOVAYIFYXUXZPP-UHFFFAOYSA-N 1 0 316.445 2.890 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271447379 427540574 /nfs/dbraw/zinc/54/05/74/427540574.db2.gz FDKWFNQLYGDKPE-JSGCOSHPSA-N 1 0 310.438 2.818 20 10 DFCDRO CNC(=O)C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000263720189 427549246 /nfs/dbraw/zinc/54/92/46/427549246.db2.gz VYNTVGIWMORYBQ-UHFFFAOYSA-N 1 0 306.450 2.823 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccccc1O ZINC000271617586 427582339 /nfs/dbraw/zinc/58/23/39/427582339.db2.gz CDWBRDPOPQFNMG-GFCCVEGCSA-N 1 0 320.414 2.615 20 10 DFCDRO Cc1cccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1O ZINC000271826445 427588451 /nfs/dbraw/zinc/58/84/51/427588451.db2.gz NXTATDMCSKPHFC-QGZVFWFLSA-N 1 0 307.340 2.976 20 10 DFCDRO CCC1(C[NH2+]Cc2cc(OC)c(OC)cc2O)CCOCC1 ZINC000271826521 427588850 /nfs/dbraw/zinc/58/88/50/427588850.db2.gz NZFPZNIGFGDQMC-UHFFFAOYSA-N 1 0 309.406 2.706 20 10 DFCDRO Cc1cc(Cl)cc(CN2CC[S@](=O)[C@H](C)[C@H]2C)c1O ZINC000271903977 427592219 /nfs/dbraw/zinc/59/22/19/427592219.db2.gz ZXRLOBMQAXPAED-BFKGZMGPSA-N 1 0 301.839 2.695 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2OC)c1 ZINC000185097710 427595299 /nfs/dbraw/zinc/59/52/99/427595299.db2.gz OOSIRJQFDGPZKR-PXAZEXFGSA-N 1 0 317.385 2.794 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000185340559 427636398 /nfs/dbraw/zinc/63/63/98/427636398.db2.gz SVAKIGWKOSJHAV-LBPRGKRZSA-N 1 0 324.421 2.966 20 10 DFCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185866216 427721483 /nfs/dbraw/zinc/72/14/83/427721483.db2.gz VZOCSJBKHYTEFG-GFCCVEGCSA-N 1 0 303.406 2.856 20 10 DFCDRO CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccc(C)cc1O ZINC000280001713 427726338 /nfs/dbraw/zinc/72/63/38/427726338.db2.gz FZPXGDIUQUPQSZ-QGZVFWFLSA-N 1 0 304.434 3.000 20 10 DFCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000186088924 427746632 /nfs/dbraw/zinc/74/66/32/427746632.db2.gz XTIXPFIKKPAPGZ-WFASDCNBSA-N 1 0 314.429 2.685 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000359910086 428073619 /nfs/dbraw/zinc/07/36/19/428073619.db2.gz ZRWILMFMPSJQOB-HOCLYGCPSA-N 1 0 304.434 2.821 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1cc(F)ccc1O ZINC000359962999 428096663 /nfs/dbraw/zinc/09/66/63/428096663.db2.gz XUMVXDVBBWCMOQ-GXTWGEPZSA-N 1 0 316.380 2.641 20 10 DFCDRO CO[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000370705768 428279189 /nfs/dbraw/zinc/27/91/89/428279189.db2.gz JALHWFQSNJOOIH-SFHVURJKSA-N 1 0 304.434 2.524 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1cc(Cl)ccc1O ZINC000371875826 428405987 /nfs/dbraw/zinc/40/59/87/428405987.db2.gz GOJOJMJPUKFGFV-WCQYABFASA-N 1 0 320.824 2.709 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)cc1OC ZINC000371862540 428407412 /nfs/dbraw/zinc/40/74/12/428407412.db2.gz CUDYWWCYPWQHDB-ZDUSSCGKSA-N 1 0 321.417 2.800 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](c3ccco3)C2)cc1OC ZINC000371365090 428384762 /nfs/dbraw/zinc/38/47/62/428384762.db2.gz BLIVKYQLJIKEIZ-LBPRGKRZSA-N 1 0 303.358 2.992 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000372435628 428445788 /nfs/dbraw/zinc/44/57/88/428445788.db2.gz MLSJCGPLSRSKEP-CQSZACIVSA-N 1 0 313.401 2.961 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000372500513 428455005 /nfs/dbraw/zinc/45/50/05/428455005.db2.gz CFRAAXOQMJLJNF-HOCLYGCPSA-N 1 0 302.418 2.834 20 10 DFCDRO CCCC(=O)N1CCC[N@@H+]([C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000372601346 428474014 /nfs/dbraw/zinc/47/40/14/428474014.db2.gz RXMZYVXKYCPFKR-AWEZNQCLSA-N 1 0 320.433 2.796 20 10 DFCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373270414 428536223 /nfs/dbraw/zinc/53/62/23/428536223.db2.gz KHVOLUYAFSMVKP-CQSZACIVSA-N 1 0 312.207 2.502 20 10 DFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)[C@H]1C ZINC000373400324 428567633 /nfs/dbraw/zinc/56/76/33/428567633.db2.gz PRAFEPAQEIAAOV-JLJPHGGASA-N 1 0 316.445 2.746 20 10 DFCDRO COc1cccc(C[N@@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)c1O ZINC000373605270 428618825 /nfs/dbraw/zinc/61/88/25/428618825.db2.gz WWAUOBDSCPGZKU-GOSISDBHSA-N 1 0 321.417 2.561 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000373638009 428624675 /nfs/dbraw/zinc/62/46/75/428624675.db2.gz LUMSXLRAUXZKGJ-KBXCAEBGSA-N 1 0 321.417 2.561 20 10 DFCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000373738113 428643790 /nfs/dbraw/zinc/64/37/90/428643790.db2.gz NFPBDAFAUPERTA-SIIHOXLZSA-N 1 0 310.397 2.631 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)c(O)c1C ZINC000374514804 428690380 /nfs/dbraw/zinc/69/03/80/428690380.db2.gz PTWDDNUWGILKJJ-NUEKZKHPSA-N 1 0 302.418 2.813 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1 ZINC000363860135 429000680 /nfs/dbraw/zinc/00/06/80/429000680.db2.gz GHESAQCIPMAOOJ-SMDDNHRTSA-N 1 0 313.401 2.707 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccccc1O ZINC000376521499 429128488 /nfs/dbraw/zinc/12/84/88/429128488.db2.gz RXNILGKBMWNDCU-CVEARBPZSA-N 1 0 315.417 2.699 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000363910109 429137720 /nfs/dbraw/zinc/13/77/20/429137720.db2.gz UGENOJRGMCGPKA-VXGBXAGGSA-N 1 0 311.809 2.913 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c1O ZINC000363905881 429139457 /nfs/dbraw/zinc/13/94/57/429139457.db2.gz GAXJADPOKZQVAC-JTQLQIEISA-N 1 0 322.796 2.552 20 10 DFCDRO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000364290211 429176966 /nfs/dbraw/zinc/17/69/66/429176966.db2.gz LSEMAJKYIDPEIC-OAHLLOKOSA-N 1 0 300.406 2.692 20 10 DFCDRO CN1CCc2cc(C[NH2+]Cc3csc([N+](=O)[O-])c3)ccc21 ZINC000364441698 429204629 /nfs/dbraw/zinc/20/46/29/429204629.db2.gz FRLZQZDACBSRLB-UHFFFAOYSA-N 1 0 303.387 2.938 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365256884 429289083 /nfs/dbraw/zinc/28/90/83/429289083.db2.gz PNIVACQOEKCDJF-AUUYWEPGSA-N 1 0 313.397 2.786 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000367359680 429631131 /nfs/dbraw/zinc/63/11/31/429631131.db2.gz AOBHJNLDQDTSJN-NWANDNLSSA-N 1 0 317.389 2.997 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1O ZINC000367457443 429653066 /nfs/dbraw/zinc/65/30/66/429653066.db2.gz GMVWCRDMSDNXJU-CVEARBPZSA-N 1 0 307.365 2.877 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c(O)c1C ZINC000367439161 429647842 /nfs/dbraw/zinc/64/78/42/429647842.db2.gz RXDCPNRGPWCYII-NUTKFTJISA-N 1 0 302.418 2.717 20 10 DFCDRO CCC[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[NH+](C)C ZINC000121148114 276038760 /nfs/dbraw/zinc/03/87/60/276038760.db2.gz TWTBMEOGXZEEAJ-MRXNPFEDSA-N 1 0 304.434 2.618 20 10 DFCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1 ZINC000530106126 430097460 /nfs/dbraw/zinc/09/74/60/430097460.db2.gz VEABPBJBJACEHR-UHFFFAOYSA-N 1 0 318.461 2.696 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)OC[C@@H]3C)cc2)CC1 ZINC000296661483 277194743 /nfs/dbraw/zinc/19/47/43/277194743.db2.gz YMPJPWMTJSUIAV-HOTGVXAUSA-N 1 0 318.461 2.911 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1O ZINC000290164450 278010315 /nfs/dbraw/zinc/01/03/15/278010315.db2.gz MDDOWUNQRKBYLV-UHFFFAOYSA-N 1 0 313.353 2.774 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)CN(C)C)c1O ZINC000289843148 301070602 /nfs/dbraw/zinc/07/06/02/301070602.db2.gz PLLQIYGZYWIMSF-JTQLQIEISA-N 1 0 301.228 2.503 20 10 DFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)CO)c1O ZINC000187052249 301070550 /nfs/dbraw/zinc/07/05/50/301070550.db2.gz RZJCXJSGTLKVQT-WCBMZHEXSA-N 1 0 302.212 2.742 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000363778720 332246228 /nfs/dbraw/zinc/24/62/28/332246228.db2.gz CAKWJYIGYZOOJP-SNRMKQJTSA-N 1 0 317.477 2.657 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@@]3(C)CCCO3)CC2)cc1 ZINC000167054825 333014838 /nfs/dbraw/zinc/01/48/38/333014838.db2.gz QTMLSXORUALKBJ-GOSISDBHSA-N 1 0 304.434 2.823 20 10 DFCDRO COc1ccc(N2CC[NH+](CCc3cccnc3)CC2)cc1F ZINC000177713068 333131751 /nfs/dbraw/zinc/13/17/51/333131751.db2.gz ZMQBLDKMXMGVHR-UHFFFAOYSA-N 1 0 315.392 2.594 20 10 DFCDRO CCC[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC000179496992 333151310 /nfs/dbraw/zinc/15/13/10/333151310.db2.gz BBCBBSYKDZBWPL-KRWDZBQOSA-N 1 0 303.450 2.633 20 10 DFCDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185389935 333208016 /nfs/dbraw/zinc/20/80/16/333208016.db2.gz ZHXISQRNUNGGJL-NOZJJQNGSA-N 1 0 302.212 2.966 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185639152 333211371 /nfs/dbraw/zinc/21/13/71/333211371.db2.gz LLWCPMXZRAICFW-UHFFFAOYSA-N 1 0 313.397 2.884 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](O)[C@H]2C)c1O ZINC000294958453 335129237 /nfs/dbraw/zinc/12/92/37/335129237.db2.gz IDTDWRIGAIYTPT-MFKMUULPSA-N 1 0 314.223 2.808 20 10 DFCDRO CCOc1cccc(C[N@H+](C)[C@@H](CO)c2ccccc2)c1O ZINC000294977955 335129444 /nfs/dbraw/zinc/12/94/44/335129444.db2.gz GIIBJGXYFCMMIS-INIZCTEOSA-N 1 0 301.386 2.956 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@H](CC)[C@@H](O)C(F)F)c(O)c1 ZINC000295003425 335129853 /nfs/dbraw/zinc/12/98/53/335129853.db2.gz IRDSSHLXOXFHQH-TZMCWYRMSA-N 1 0 303.349 2.675 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](C)CC(C)(C)CO)cc2)CC1 ZINC000295255961 335134448 /nfs/dbraw/zinc/13/44/48/335134448.db2.gz QWNXUZTYGKAIRO-UHFFFAOYSA-N 1 0 320.477 2.752 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000121343586 333385826 /nfs/dbraw/zinc/38/58/26/333385826.db2.gz BAPKVYLHIUVCOQ-UHFFFAOYSA-N 1 0 313.401 2.554 20 10 DFCDRO COC1CCN(c2ccc(CN3CCC(=O)[C@@H](C)C3)cc2)CC1 ZINC000295834938 335139952 /nfs/dbraw/zinc/13/99/52/335139952.db2.gz WJKKEXLAJKWMTL-HNNXBMFYSA-N 1 0 316.445 2.713 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)cc1 ZINC000278403496 334096067 /nfs/dbraw/zinc/09/60/67/334096067.db2.gz GZAURNITWCVQON-MRXNPFEDSA-N 1 0 317.477 2.658 20 10 DFCDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H]1CCc3cccc(O)c31)C2 ZINC000296833273 334237037 /nfs/dbraw/zinc/23/70/37/334237037.db2.gz MQRNXJQBYLKAKX-GOEBONIOSA-N 1 0 311.381 2.981 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1 ZINC000366929321 335375197 /nfs/dbraw/zinc/37/51/97/335375197.db2.gz ZCISQBWKNFFPQW-IBGZPJMESA-N 1 0 312.413 2.513 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000352125430 336195759 /nfs/dbraw/zinc/19/57/59/336195759.db2.gz HDYPDUTUENPWBK-UHFFFAOYSA-N 1 0 322.412 2.878 20 10 DFCDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352134263 336196106 /nfs/dbraw/zinc/19/61/06/336196106.db2.gz IKNSEJYZVZNZHK-KRWDZBQOSA-N 1 0 313.445 2.977 20 10 DFCDRO CCN(CC)c1ccc(CNc2cc[nH+]cc2C(N)=O)cc1F ZINC000302209912 336354067 /nfs/dbraw/zinc/35/40/67/336354067.db2.gz GDDHCJGUWHTSAR-UHFFFAOYSA-N 1 0 316.380 2.778 20 10 DFCDRO Cn1ccc(N2CC[C@H]([NH2+]Cc3c(O)ccc4ccccc43)C2)n1 ZINC000367698973 336828204 /nfs/dbraw/zinc/82/82/04/336828204.db2.gz OUDCHZMHYMSMCV-HNNXBMFYSA-N 1 0 322.412 2.647 20 10 DFCDRO COc1cccc(C[NH+]2CCC(n3cc(C)cn3)CC2)c1O ZINC000371403700 336903022 /nfs/dbraw/zinc/90/30/22/336903022.db2.gz VXVGEUXBDBIKSJ-UHFFFAOYSA-N 1 0 301.390 2.743 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1N1CCOCC1)c1ccccc1O ZINC000371681557 336910519 /nfs/dbraw/zinc/91/05/19/336910519.db2.gz ROQGURLERIANNP-ZMSDIMECSA-N 1 0 304.434 2.544 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1N1CCOCC1)c1cc(F)ccc1O ZINC000371870623 336915297 /nfs/dbraw/zinc/91/52/97/336915297.db2.gz RLCIZVKJGDXTAT-GRDNDAEWSA-N 1 0 322.424 2.683 20 10 DFCDRO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cc(F)ccc1O)CC2 ZINC000372813912 336940636 /nfs/dbraw/zinc/94/06/36/336940636.db2.gz WXPGSEYRVDFMIY-OAHLLOKOSA-N 1 0 303.381 2.956 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000374284559 336985960 /nfs/dbraw/zinc/98/59/60/336985960.db2.gz AHYOFXOEODTFIF-MJGOQNOKSA-N 1 0 318.461 2.961 20 10 DFCDRO COCCn1ncc2c1[C@H]([NH2+]Cc1cccc(C)c1O)CCC2 ZINC000375207531 337005887 /nfs/dbraw/zinc/00/58/87/337005887.db2.gz MDCLDBDZRHVFIR-MRXNPFEDSA-N 1 0 315.417 2.711 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCn3ccnc32)c1 ZINC000375843840 337021045 /nfs/dbraw/zinc/02/10/45/337021045.db2.gz BRXSAIXUWUCWTR-OLZOCXBDSA-N 1 0 301.390 2.826 20 10 DFCDRO CCc1nnc2n1C[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)CC2 ZINC000375851591 337021458 /nfs/dbraw/zinc/02/14/58/337021458.db2.gz UYCAAFBKOUVMAU-QWHCGFSZSA-N 1 0 300.406 2.520 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1O ZINC000376045744 337025797 /nfs/dbraw/zinc/02/57/97/337025797.db2.gz OSDRAHZZWKEPMH-OAHLLOKOSA-N 1 0 315.417 2.904 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000376440033 337033454 /nfs/dbraw/zinc/03/34/54/337033454.db2.gz DPQUBKKLMGIPPJ-MAUKXSAKSA-N 1 0 321.417 2.561 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000376650277 337039098 /nfs/dbraw/zinc/03/90/98/337039098.db2.gz FHZVLBGSIPJSPO-UHFFFAOYSA-N 1 0 316.361 2.642 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)c1cc(Cl)ccc1O ZINC000376892184 337043272 /nfs/dbraw/zinc/04/32/72/337043272.db2.gz IGMKATRHAQBELR-NWANDNLSSA-N 1 0 324.852 2.950 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CN2CCCC[C@H]2CO1)c1cc(Cl)ccc1O ZINC000376892185 337043326 /nfs/dbraw/zinc/04/33/26/337043326.db2.gz IGMKATRHAQBELR-QEJZJMRPSA-N 1 0 324.852 2.950 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000377616795 337056468 /nfs/dbraw/zinc/05/64/68/337056468.db2.gz QVBBOFGXSZBTLX-SOLBZPMBSA-N 1 0 318.461 2.764 20 10 DFCDRO CCc1nnc([C@@H]2C[N@H+]([C@H](CC)c3ccccc3O)CCO2)o1 ZINC000377669252 337057968 /nfs/dbraw/zinc/05/79/68/337057968.db2.gz DINLEWHDXMJCEF-HIFRSBDPSA-N 1 0 317.389 2.862 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2nnc(C)o2)C1 ZINC000377713717 337059344 /nfs/dbraw/zinc/05/93/44/337059344.db2.gz AKUKRIQPSWLMPE-ZFWWWQNUSA-N 1 0 303.362 2.608 20 10 DFCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)ccc1OC ZINC000378310133 337069668 /nfs/dbraw/zinc/06/96/68/337069668.db2.gz GVKXLZTXQZDKDU-WMZOPIPTSA-N 1 0 305.418 2.889 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c1O ZINC000378440787 337072682 /nfs/dbraw/zinc/07/26/82/337072682.db2.gz CJDDEYOSWFRYQS-NSHDSACASA-N 1 0 306.797 2.852 20 10 DFCDRO CCOC(=O)C1(C)CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000378535815 337075348 /nfs/dbraw/zinc/07/53/48/337075348.db2.gz AVRHTGUIAAHYTE-UHFFFAOYSA-N 1 0 307.390 2.566 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)c2cnn(C)c2C)c1O ZINC000228671103 337078216 /nfs/dbraw/zinc/07/82/16/337078216.db2.gz QGWSFWHRGSCKQP-SECBINFHSA-N 1 0 309.797 2.947 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1OC ZINC000360043001 337084376 /nfs/dbraw/zinc/08/43/76/337084376.db2.gz ZUKVQAABLMNVCF-CSMYWGQOSA-N 1 0 321.417 2.703 20 10 DFCDRO COc1ccc(N2CCC[N@H+](CCC(=O)OC(C)C)CC2)cc1 ZINC000173553194 337136404 /nfs/dbraw/zinc/13/64/04/337136404.db2.gz BVNWPHCDJWZIBL-UHFFFAOYSA-N 1 0 320.433 2.549 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1O ZINC000180070553 337173505 /nfs/dbraw/zinc/17/35/05/337173505.db2.gz KXSLBQMEURJJFT-OAHLLOKOSA-N 1 0 312.417 2.618 20 10 DFCDRO COc1ccc(N2CCC[N@H+](Cc3cnoc3C)CC2)cc1 ZINC000181650442 337183554 /nfs/dbraw/zinc/18/35/54/337183554.db2.gz WGPSQLCYELZLNR-UHFFFAOYSA-N 1 0 301.390 2.704 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000182090696 337184357 /nfs/dbraw/zinc/18/43/57/337184357.db2.gz QBEOPRJCTRQIMU-AWEZNQCLSA-N 1 0 315.417 2.589 20 10 DFCDRO CCc1nnc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)[nH]1 ZINC000191691544 337300603 /nfs/dbraw/zinc/30/06/03/337300603.db2.gz SYFGFZCLFWTLFN-UHFFFAOYSA-N 1 0 313.449 2.813 20 10 DFCDRO CC(C)C(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000123559956 337399867 /nfs/dbraw/zinc/39/98/67/337399867.db2.gz SENSMKLIUNXDLD-UHFFFAOYSA-N 1 0 310.825 2.736 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@]2(CO)CCc3ccccc32)c1 ZINC000359961875 337441042 /nfs/dbraw/zinc/44/10/42/337441042.db2.gz UDQOUQMYHZJYOZ-BFUOFWGJSA-N 1 0 313.397 2.885 20 10 DFCDRO COC[C@@]1([NH2+]Cc2cccc(C)c2O)COc2ccccc2C1 ZINC000529669150 340767430 /nfs/dbraw/zinc/76/74/30/340767430.db2.gz OUCAKHKBEQYWHB-LJQANCHMSA-N 1 0 313.397 2.811 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1O ZINC000267428226 341591358 /nfs/dbraw/zinc/59/13/58/341591358.db2.gz BUZSVZOWECUAPT-INIZCTEOSA-N 1 0 320.408 2.794 20 10 DFCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296225067 341716558 /nfs/dbraw/zinc/71/65/58/341716558.db2.gz AEHOLBBFKSTEGZ-WCQYABFASA-N 1 0 306.406 2.882 20 10 DFCDRO CC(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179877540 519441098 /nfs/dbraw/zinc/44/10/98/519441098.db2.gz ODMBUTYEXSATIJ-UHFFFAOYSA-N 1 0 310.825 2.797 20 10 DFCDRO CCCOc1ccc(C[N@H+](CC)C[C@H](O)C(F)(F)F)c(O)c1 ZINC000189863903 520344760 /nfs/dbraw/zinc/34/47/60/520344760.db2.gz OHGCQXFNTVCBAK-AWEZNQCLSA-N 1 0 321.339 2.926 20 10 DFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180019300 520674921 /nfs/dbraw/zinc/67/49/21/520674921.db2.gz BBWZIIIYBQSSHN-ZDUSSCGKSA-N 1 0 308.397 2.660 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000236675596 521041905 /nfs/dbraw/zinc/04/19/05/521041905.db2.gz KAYTYEJOFGISHD-GOSISDBHSA-N 1 0 315.461 2.681 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(OC)c(O)c2)c1 ZINC000171134456 521152204 /nfs/dbraw/zinc/15/22/04/521152204.db2.gz UDGPKWIJCVKGEZ-UHFFFAOYSA-N 1 0 303.358 2.795 20 10 DFCDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000236937402 521190819 /nfs/dbraw/zinc/19/08/19/521190819.db2.gz FSODDDHSRYTNPW-OAHLLOKOSA-N 1 0 314.433 2.736 20 10 DFCDRO CCOc1cccc(C[N@H+](CC)C[C@@H](O)C(F)(F)F)c1O ZINC000189871170 521333985 /nfs/dbraw/zinc/33/39/85/521333985.db2.gz PEZFRVFZCPPYIN-GFCCVEGCSA-N 1 0 307.312 2.536 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1O ZINC000131872948 521342348 /nfs/dbraw/zinc/34/23/48/521342348.db2.gz ITMXTBUEIJQFSQ-HNNXBMFYSA-N 1 0 301.390 2.862 20 10 DFCDRO CCCN(CC)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000156796397 521608880 /nfs/dbraw/zinc/60/88/80/521608880.db2.gz YLPICBQQNNSDBI-UHFFFAOYSA-N 1 0 319.493 2.986 20 10 DFCDRO CN1CCc2cc(CNC(=O)c3ccccc3C[NH+](C)C)ccc21 ZINC000365960572 521931149 /nfs/dbraw/zinc/93/11/49/521931149.db2.gz CWRGQCOANRNRHF-UHFFFAOYSA-N 1 0 323.440 2.671 20 10 DFCDRO CN(C)c1ccc(CNC(=O)CC2(C[NH3+])CCCCC2)cc1F ZINC000184229671 522189317 /nfs/dbraw/zinc/18/93/17/522189317.db2.gz RMPMREGTOXKWKD-UHFFFAOYSA-N 1 0 321.440 2.807 20 10 DFCDRO CCc1nc([C@@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)no1 ZINC000367748576 522433856 /nfs/dbraw/zinc/43/38/56/522433856.db2.gz JFONGYSUSWPDAJ-GFCCVEGCSA-N 1 0 317.389 2.726 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@@H](OC)C3)CC2)cc1 ZINC000364811171 524402749 /nfs/dbraw/zinc/40/27/49/524402749.db2.gz NPKRRWZMLXNDQX-MAUKXSAKSA-N 1 0 304.434 2.821 20 10 DFCDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000179925281 524406958 /nfs/dbraw/zinc/40/69/58/524406958.db2.gz SKKWWNUIHGSXGE-AWEZNQCLSA-N 1 0 306.406 2.800 20 10 DFCDRO COc1ccc(N2CC[NH+](CC[C@H]3CCCO3)CC2)cc1F ZINC000189535834 524427199 /nfs/dbraw/zinc/42/71/99/524427199.db2.gz XODXPAJPZQXLKD-OAHLLOKOSA-N 1 0 308.397 2.525 20 10 DFCDRO COc1ccc(N2CC[NH+](CCc3scnc3C)CC2)cc1 ZINC000172520131 524427407 /nfs/dbraw/zinc/42/74/07/524427407.db2.gz QHXKWEUVAJYDBF-UHFFFAOYSA-N 1 0 317.458 2.825 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)Cc2cccc(C)c2)c1 ZINC000191612035 524774862 /nfs/dbraw/zinc/77/48/62/524774862.db2.gz GBPFUNOHCGKGBX-HOCLYGCPSA-N 1 0 315.413 2.963 20 10 DFCDRO C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1[NH+](C)C ZINC000131470976 524985470 /nfs/dbraw/zinc/98/54/70/524985470.db2.gz VVDGYYWAAPXXBT-MFKMUULPSA-N 1 0 313.239 2.537 20 10 DFCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cc2ccc(N)cc2)C1 ZINC000237545770 525206025 /nfs/dbraw/zinc/20/60/25/525206025.db2.gz BRFVNMIMGOCLLN-HUUCEWRRSA-N 1 0 317.477 2.684 20 10 DFCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(F)ccc1O ZINC000185079597 525302495 /nfs/dbraw/zinc/30/24/95/525302495.db2.gz QIBIHMIPSUXHRJ-ZDUSSCGKSA-N 1 0 316.376 2.841 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000264972519 525349820 /nfs/dbraw/zinc/34/98/20/525349820.db2.gz RBXXSBUVNBNIAM-OAHLLOKOSA-N 1 0 303.377 2.781 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1 ZINC000265154768 525350774 /nfs/dbraw/zinc/35/07/74/525350774.db2.gz PMQBXTJCYPETBE-QGZVFWFLSA-N 1 0 307.340 2.976 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000265225117 525352138 /nfs/dbraw/zinc/35/21/38/525352138.db2.gz HTZMJBQAQHIMSI-MRXNPFEDSA-N 1 0 310.397 2.875 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000264943691 525353198 /nfs/dbraw/zinc/35/31/98/525353198.db2.gz HNRUCYOKNSTLPK-QGZVFWFLSA-N 1 0 310.397 2.591 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000265225112 525354038 /nfs/dbraw/zinc/35/40/38/525354038.db2.gz HTZMJBQAQHIMSI-INIZCTEOSA-N 1 0 310.397 2.875 20 10 DFCDRO C[C@@H]([NH2+]CCOCCO)c1ccc(N2CCCCCC2)cc1 ZINC000159160521 525452924 /nfs/dbraw/zinc/45/29/24/525452924.db2.gz AENWWTWVHBDBGE-MRXNPFEDSA-N 1 0 306.450 2.727 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccccc1O ZINC000179902162 525475217 /nfs/dbraw/zinc/47/52/17/525475217.db2.gz IISWXKXFDWGCBA-TZMCWYRMSA-N 1 0 305.349 2.622 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1O ZINC000265150421 526018539 /nfs/dbraw/zinc/01/85/39/526018539.db2.gz OMFMZQVYSVVNIQ-QGZVFWFLSA-N 1 0 323.339 2.676 20 10 DFCDRO Nc1ccc(CC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000178828934 527477032 /nfs/dbraw/zinc/47/70/32/527477032.db2.gz CUJVUPXWJJQBGE-UHFFFAOYSA-N 1 0 315.461 2.725 20 10 DFCDRO Nc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000237941464 527480002 /nfs/dbraw/zinc/48/00/02/527480002.db2.gz ABDWIVNEHATWPI-IBGZPJMESA-N 1 0 323.440 2.592 20 10 DFCDRO Nc1ccc(CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000237946084 527481357 /nfs/dbraw/zinc/48/13/57/527481357.db2.gz ABDWIVNEHATWPI-LJQANCHMSA-N 1 0 323.440 2.592 20 10 DFCDRO CC(C)[C@@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298714038 535158897 /nfs/dbraw/zinc/15/88/97/535158897.db2.gz LMKLQGCEYXPIHI-OAHLLOKOSA-N 1 0 305.466 2.687 20 10 DFCDRO CCOC1CC(O)(C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000277457855 535392145 /nfs/dbraw/zinc/39/21/45/535392145.db2.gz AXOCUUJCCKRSNI-UHFFFAOYSA-N 1 0 318.461 2.697 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)[C@@]12CCCO2 ZINC000274214990 535512995 /nfs/dbraw/zinc/51/29/95/535512995.db2.gz NJICUPTZWMVGCF-BIMQEMHKSA-N 1 0 321.417 2.778 20 10 DFCDRO CCN(C)C(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000299413694 535713188 /nfs/dbraw/zinc/71/31/88/535713188.db2.gz LJZMMSWTZORKFQ-UHFFFAOYSA-N 1 0 303.450 2.587 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000284400034 535751985 /nfs/dbraw/zinc/75/19/85/535751985.db2.gz AUQMEJKCEGLEFA-FUHWJXTLSA-N 1 0 314.385 2.806 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(C)cc1O ZINC000287249624 535804839 /nfs/dbraw/zinc/80/48/39/535804839.db2.gz ZLAZETMNPOJKFX-DZGCQCFKSA-N 1 0 311.447 2.566 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1F ZINC000273198101 536147038 /nfs/dbraw/zinc/14/70/38/536147038.db2.gz RASMJKQUNJOQBV-UHFFFAOYSA-N 1 0 322.424 2.521 20 10 DFCDRO CN1CCCc2cc(CNC(=O)C[C@H]3CCCC[C@@H]3[NH3+])ccc21 ZINC000296145157 536396020 /nfs/dbraw/zinc/39/60/20/536396020.db2.gz VMEJWRPVTRTXCQ-WBVHZDCISA-N 1 0 315.461 2.593 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737363863 598837145 /nfs/dbraw/zinc/83/71/45/598837145.db2.gz FOZQDOYUERRHER-LBPRGKRZSA-N 1 0 309.373 2.732 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820432465 599394551 /nfs/dbraw/zinc/39/45/51/599394551.db2.gz OMTBBBMGZLMUGU-CYBMUJFWSA-N 1 0 322.416 2.784 20 10 DFCDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469624 185172766 /nfs/dbraw/zinc/17/27/66/185172766.db2.gz RUMMFMFECGNPMW-ZDUSSCGKSA-N 1 0 308.397 2.508 20 10 DFCDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469475 185172795 /nfs/dbraw/zinc/17/27/95/185172795.db2.gz ALDZOPBZALNCKE-AWEZNQCLSA-N 1 0 322.424 2.898 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(n3ccnc3)CC2)c1O ZINC000092648592 185331279 /nfs/dbraw/zinc/33/12/79/185331279.db2.gz ZHYDJSVEQILDFA-UHFFFAOYSA-N 1 0 301.390 2.825 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000093646511 282289043 /nfs/dbraw/zinc/28/90/43/282289043.db2.gz JBODJXCJMOXSDQ-IRXDYDNUSA-N 1 0 324.490 2.540 20 10 DFCDRO CCN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1cccc(C)c1 ZINC000592484293 398432729 /nfs/dbraw/zinc/43/27/29/398432729.db2.gz YISUHWJFIFSYIF-AWEZNQCLSA-N 1 0 312.417 2.694 20 10 DFCDRO CC(C)[N@H+](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299521671 534993765 /nfs/dbraw/zinc/99/37/65/534993765.db2.gz YWABGAUXVWTZIR-UHFFFAOYSA-N 1 0 303.450 2.584 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCCN(c3ncccn3)CC2)cc1C ZINC000093056495 398617017 /nfs/dbraw/zinc/61/70/17/398617017.db2.gz AGJIXQZBDMMVBJ-UHFFFAOYSA-N 1 0 312.417 2.511 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1C ZINC000093362784 398634486 /nfs/dbraw/zinc/63/44/86/398634486.db2.gz DJJQQPJZSQOCFB-QGZVFWFLSA-N 1 0 316.445 2.986 20 10 DFCDRO COc1ccc(O)c(CN2CCC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000362047792 398642463 /nfs/dbraw/zinc/64/24/63/398642463.db2.gz SQLFDDXPTSLFBK-MRXNPFEDSA-N 1 0 304.434 2.851 20 10 DFCDRO CO[C@H](C[NH2+]Cc1cc(Br)ccc1O)C(C)C ZINC000072924653 398648245 /nfs/dbraw/zinc/64/82/45/398648245.db2.gz UGILYKASYQDJHN-CYBMUJFWSA-N 1 0 302.212 2.915 20 10 DFCDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000268874054 283285204 /nfs/dbraw/zinc/28/52/04/283285204.db2.gz DMIORIHUMAXQSN-JEYLPNPQSA-N 1 0 303.450 2.708 20 10 DFCDRO C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000185491782 299272914 /nfs/dbraw/zinc/27/29/14/299272914.db2.gz PBYRBWQTALYXAJ-UONOGXRCSA-N 1 0 322.424 2.683 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1 ZINC000091833202 193114357 /nfs/dbraw/zinc/11/43/57/193114357.db2.gz MHMBLHODWXXABM-CYBMUJFWSA-N 1 0 317.389 2.862 20 10 DFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1O ZINC000091956744 193132696 /nfs/dbraw/zinc/13/26/96/193132696.db2.gz QMTINAXFMXKCDX-UHFFFAOYSA-N 1 0 312.413 2.861 20 10 DFCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093360535 193237890 /nfs/dbraw/zinc/23/78/90/193237890.db2.gz HPSRGHVABRAVCS-QGZVFWFLSA-N 1 0 315.461 2.635 20 10 DFCDRO CC[C@H]([NH2+]CCN(C)C)c1cc(Br)ccc1O ZINC000022222435 182313405 /nfs/dbraw/zinc/31/34/05/182313405.db2.gz QKMOHGYGWGYCPZ-LBPRGKRZSA-N 1 0 301.228 2.757 20 10 DFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)C)cc2F)CC1 ZINC000106702365 194244970 /nfs/dbraw/zinc/24/49/70/194244970.db2.gz ZNGGLYYHXJUKGH-UHFFFAOYSA-N 1 0 321.440 2.630 20 10 DFCDRO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000052086451 542446862 /nfs/dbraw/zinc/44/68/62/542446862.db2.gz RGKODQNQUXRXNQ-QGZVFWFLSA-N 1 0 310.397 2.788 20 10 DFCDRO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000046280857 542440165 /nfs/dbraw/zinc/44/01/65/542440165.db2.gz KZFMBFFZQFWLTQ-OAHLLOKOSA-N 1 0 320.481 2.624 20 10 DFCDRO C[C@@H]([NH2+]Cc1nccn1C)c1ccc(Br)cc1O ZINC000273364300 130113164 /nfs/dbraw/zinc/11/31/64/130113164.db2.gz BDAHXANBVASTSM-SECBINFHSA-N 1 0 310.195 2.739 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000273398301 130117351 /nfs/dbraw/zinc/11/73/51/130117351.db2.gz MKIDAIKDHGSKAE-UWVGGRQHSA-N 1 0 300.196 2.842 20 10 DFCDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1cc(F)ccc1O ZINC000273483368 130126639 /nfs/dbraw/zinc/12/66/39/130126639.db2.gz MSLBLAKTXYTKLD-PNPHSEOMSA-N 1 0 319.376 2.667 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000273504057 130129057 /nfs/dbraw/zinc/12/90/57/130129057.db2.gz QSZPGRVXCBAJDI-MEDUHNTESA-N 1 0 305.349 2.924 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000273504033 130129743 /nfs/dbraw/zinc/12/97/43/130129743.db2.gz QSZPGRVXCBAJDI-BDJLRTHQSA-N 1 0 305.349 2.924 20 10 DFCDRO C[N@H+](CCc1cnccn1)Cc1cc(Br)ccc1O ZINC000273706860 130157114 /nfs/dbraw/zinc/15/71/14/130157114.db2.gz FLHDPQXPOHSYQX-UHFFFAOYSA-N 1 0 322.206 2.619 20 10 DFCDRO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(N(C)C)cc1 ZINC000274326975 130227402 /nfs/dbraw/zinc/22/74/02/130227402.db2.gz ADWAGWIVZIXOLN-ZDUSSCGKSA-N 1 0 316.474 2.948 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)c(O)c1 ZINC000274414613 130232968 /nfs/dbraw/zinc/23/29/68/130232968.db2.gz SNQRSRNHYUIPOZ-GFCCVEGCSA-N 1 0 303.431 2.896 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2OC)ccc1OC ZINC000274897474 130271489 /nfs/dbraw/zinc/27/14/89/130271489.db2.gz GBHGSDFHMIKJRI-NXHRZFHOSA-N 1 0 323.433 2.514 20 10 DFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cncc(F)c1 ZINC000275126968 130293406 /nfs/dbraw/zinc/29/34/06/130293406.db2.gz KSFBIILMZOKRPR-UHFFFAOYSA-N 1 0 315.392 2.689 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc1C ZINC000275666744 130358634 /nfs/dbraw/zinc/35/86/34/130358634.db2.gz VIPNAJNADCGPCC-RDJZCZTQSA-N 1 0 315.417 2.752 20 10 DFCDRO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000275718903 130370895 /nfs/dbraw/zinc/37/08/95/130370895.db2.gz YVVCGUBMMXBRSU-YVEFUNNKSA-N 1 0 319.380 2.615 20 10 DFCDRO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000281453658 130863722 /nfs/dbraw/zinc/86/37/22/130863722.db2.gz DMAQYOZSSBHQAJ-DOTOQJQBSA-N 1 0 306.450 2.725 20 10 DFCDRO FC(F)Oc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccn1 ZINC000284087497 131047672 /nfs/dbraw/zinc/04/76/72/131047672.db2.gz RKGIPIFJWCXCDE-UHFFFAOYSA-N 1 0 306.312 2.908 20 10 DFCDRO Cn1ccnc1[C@H]([NH2+]Cc1cc(F)ccc1O)C1CCOCC1 ZINC000284476276 131084625 /nfs/dbraw/zinc/08/46/25/131084625.db2.gz BBBJLNUNTPJLNJ-MRXNPFEDSA-N 1 0 319.380 2.522 20 10 DFCDRO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000284733080 131107833 /nfs/dbraw/zinc/10/78/33/131107833.db2.gz UAEZQKGGGXQONO-ZMSDIMECSA-N 1 0 309.381 2.547 20 10 DFCDRO CCn1ccnc1[C@@H]([NH2+]Cc1ccccc1O)C1CCOCC1 ZINC000284876981 131117722 /nfs/dbraw/zinc/11/77/22/131117722.db2.gz ZBRCQZGGSLCCRR-KRWDZBQOSA-N 1 0 315.417 2.866 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000285208403 131147467 /nfs/dbraw/zinc/14/74/67/131147467.db2.gz OJYRYCWCVRSCNW-GFCCVEGCSA-N 1 0 306.406 2.737 20 10 DFCDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000285646482 131189905 /nfs/dbraw/zinc/18/99/05/131189905.db2.gz YCFLHOPSRCRFNH-WDEREUQCSA-N 1 0 314.223 2.917 20 10 DFCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(F)cc(C(C)=O)c1O ZINC000286422990 131235627 /nfs/dbraw/zinc/23/56/27/131235627.db2.gz IMVLYEXHPXHBCR-GGIWKMKYSA-N 1 0 319.376 2.589 20 10 DFCDRO COc1ccc(N(C[C@@H](O)C[N@H+](C)C2CC2)C(C)C)cc1F ZINC000289352902 131377218 /nfs/dbraw/zinc/37/72/18/131377218.db2.gz LLFCOLQUPCSKJD-HNNXBMFYSA-N 1 0 310.413 2.504 20 10 DFCDRO COc1cccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1O ZINC000289464507 131389155 /nfs/dbraw/zinc/38/91/55/131389155.db2.gz OTDXNGWCLFJIPT-JQWIXIFHSA-N 1 0 305.296 2.600 20 10 DFCDRO CN(C)c1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)cc1F ZINC000292887156 131685900 /nfs/dbraw/zinc/68/59/00/131685900.db2.gz DEWLREMFBXBGAW-UHFFFAOYSA-N 1 0 312.339 2.643 20 10 DFCDRO CC[N@H+](CCc1cn[nH]c1)Cc1cc(Br)ccc1O ZINC000297303066 132008842 /nfs/dbraw/zinc/00/88/42/132008842.db2.gz BKDDZSNUHCRUTJ-UHFFFAOYSA-N 1 0 324.222 2.942 20 10 DFCDRO CC(C)NC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298694639 132074205 /nfs/dbraw/zinc/07/42/05/132074205.db2.gz FNPYBFIQNQTTCD-UHFFFAOYSA-N 1 0 303.450 2.632 20 10 DFCDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccccc2O)C1 ZINC000299506197 132108711 /nfs/dbraw/zinc/10/87/11/132108711.db2.gz MSEDGFHSBXUYQJ-HNNXBMFYSA-N 1 0 319.449 2.704 20 10 DFCDRO O=C(NCc1ccccc1O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000299570204 132112239 /nfs/dbraw/zinc/11/22/39/132112239.db2.gz PJKARAZCIBPMQO-QGZVFWFLSA-N 1 0 310.397 2.673 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000273412821 292014083 /nfs/dbraw/zinc/01/40/83/292014083.db2.gz QDKFEJUBVBGEAW-CQSZACIVSA-N 1 0 320.433 2.705 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1OC ZINC000158872002 286238838 /nfs/dbraw/zinc/23/88/38/286238838.db2.gz OGVMEWUKLQQQFG-ZFWWWQNUSA-N 1 0 307.390 2.553 20 10 DFCDRO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187752910 286442185 /nfs/dbraw/zinc/44/21/85/286442185.db2.gz FDSNQXQIOBEWHM-NWDGAFQWSA-N 1 0 316.392 2.678 20 10 DFCDRO C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1cc(Cl)ccc1O ZINC000185504682 287035141 /nfs/dbraw/zinc/03/51/41/287035141.db2.gz VPXWTQNHRUAITK-QWHCGFSZSA-N 1 0 312.841 2.665 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c(O)c1 ZINC000155605865 425921800 /nfs/dbraw/zinc/92/18/00/425921800.db2.gz VENBVSDQDNZTMK-HNNXBMFYSA-N 1 0 320.433 2.529 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1O ZINC000037648219 425848856 /nfs/dbraw/zinc/84/88/56/425848856.db2.gz IQZJSGOBADJFTO-NWDGAFQWSA-N 1 0 302.340 2.927 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@@H]3CCO[C@]4(CCSC4)C3)ccc21 ZINC000125095534 425953393 /nfs/dbraw/zinc/95/33/93/425953393.db2.gz LNOYCBQVMGXWMU-SJLPKXTDSA-N 1 0 318.486 2.823 20 10 DFCDRO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)Cc1ccccc1O ZINC000109771040 426032227 /nfs/dbraw/zinc/03/22/27/426032227.db2.gz HLSOMRIPCUMEOP-AWEZNQCLSA-N 1 0 310.397 2.802 20 10 DFCDRO CN(Cc1ccccc1F)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000109769406 426033285 /nfs/dbraw/zinc/03/32/85/426033285.db2.gz HBCBRIKXTVGLNR-UHFFFAOYSA-N 1 0 316.376 2.622 20 10 DFCDRO CCCOc1ccc(C[NH+]2CCC3(CC2)OCCO3)c(O)c1 ZINC000126124640 426006723 /nfs/dbraw/zinc/00/67/23/426006723.db2.gz GKPVKCJLFQRITE-UHFFFAOYSA-N 1 0 307.390 2.520 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000113338338 426112999 /nfs/dbraw/zinc/11/29/99/426112999.db2.gz MVYXKCDLGBZINM-GFCCVEGCSA-N 1 0 318.808 2.594 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cncs1 ZINC000165179008 426120651 /nfs/dbraw/zinc/12/06/51/426120651.db2.gz CONQNYXFHKGBSD-GFCCVEGCSA-N 1 0 321.421 2.970 20 10 DFCDRO CC[C@H]([NH2+][C@@H](C)CO[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000166463164 426126892 /nfs/dbraw/zinc/12/68/92/426126892.db2.gz JFSOWKLATPPSNR-QGTPRVQTSA-N 1 0 306.450 2.987 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CSCCS2)c1O ZINC000169091323 426136177 /nfs/dbraw/zinc/13/61/77/426136177.db2.gz OLAIVRAIYONWQB-NSHDSACASA-N 1 0 319.879 2.992 20 10 DFCDRO 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CC(C)C(=O)N1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000123579687 426441401 /nfs/dbraw/zinc/44/14/01/426441401.db2.gz OPZZCZRVYSDWBS-UHFFFAOYSA-N 1 0 310.825 2.736 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000123698841 426449240 /nfs/dbraw/zinc/44/92/40/426449240.db2.gz IPHUKEIDXGZVDQ-RISCZKNCSA-N 1 0 319.323 2.679 20 10 DFCDRO CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000154978560 426461197 /nfs/dbraw/zinc/46/11/97/426461197.db2.gz YVRDRBZMQNLXLQ-UXLLHSPISA-N 1 0 306.450 2.932 20 10 DFCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)Cc1ccccc1O ZINC000098030562 426476399 /nfs/dbraw/zinc/47/63/99/426476399.db2.gz RPQWJVXJLKXJQL-HUUCEWRRSA-N 1 0 319.449 2.654 20 10 DFCDRO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000101539051 426484264 /nfs/dbraw/zinc/48/42/64/426484264.db2.gz KZXLRRMLYMSDIK-MRXNPFEDSA-N 1 0 304.434 2.890 20 10 DFCDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280151427 426507080 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CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)NC)c1O ZINC000289597041 426668406 /nfs/dbraw/zinc/66/84/06/426668406.db2.gz KSBIRXSFJSBLNV-OAHLLOKOSA-N 1 0 320.433 2.672 20 10 DFCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000289641168 426671798 /nfs/dbraw/zinc/67/17/98/426671798.db2.gz MKALRMSAFMPJKA-XJKSGUPXSA-N 1 0 324.852 2.649 20 10 DFCDRO CCOc1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000289681324 426673643 /nfs/dbraw/zinc/67/36/43/426673643.db2.gz FAPBGAPYEKLBMG-YOEHRIQHSA-N 1 0 304.434 2.850 20 10 DFCDRO Cc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1O ZINC000289856250 426675251 /nfs/dbraw/zinc/67/52/51/426675251.db2.gz QHQJVPODZFYZPK-UHFFFAOYSA-N 1 0 301.346 2.574 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000289842027 426676056 /nfs/dbraw/zinc/67/60/56/426676056.db2.gz NFOTXOWYSFXFKF-UHFFFAOYSA-N 1 0 315.461 2.777 20 10 DFCDRO CCCOc1ccc(C[NH2+]CCc2nnc(C)s2)c(O)c1 ZINC000289975152 426676913 /nfs/dbraw/zinc/67/69/13/426676913.db2.gz WLXJMZVZZCGGNR-UHFFFAOYSA-N 1 0 307.419 2.673 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@H]2COc3ccccc32)cc1OC ZINC000289998286 426679209 /nfs/dbraw/zinc/67/92/09/426679209.db2.gz CVHBOOMFNLABJB-ZDUSSCGKSA-N 1 0 315.369 2.675 20 10 DFCDRO CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Br)ccc1O ZINC000227436351 426625876 /nfs/dbraw/zinc/62/58/76/426625876.db2.gz MBFDBCAYURXNHT-UHFFFAOYSA-N 1 0 315.255 2.975 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)NC)c1 ZINC000290169246 426709209 /nfs/dbraw/zinc/70/92/09/426709209.db2.gz MRIKXXOCWNNRCW-AWEZNQCLSA-N 1 0 322.405 2.501 20 10 DFCDRO Nc1ccc(CC(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)cc1 ZINC000237888965 426696707 /nfs/dbraw/zinc/69/67/07/426696707.db2.gz VYRRMYVIGZQWHI-SFHVURJKSA-N 1 0 315.461 2.678 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1OC ZINC000245589442 426754611 /nfs/dbraw/zinc/75/46/11/426754611.db2.gz OGVMEWUKLQQQFG-HIFRSBDPSA-N 1 0 307.390 2.553 20 10 DFCDRO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000179572435 426801384 /nfs/dbraw/zinc/80/13/84/426801384.db2.gz VOGSLQOAHVIYNM-HNNXBMFYSA-N 1 0 300.406 2.513 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1 ZINC000246134862 426801665 /nfs/dbraw/zinc/80/16/65/426801665.db2.gz KZRJIJHVKPORLD-YXJHDRRASA-N 1 0 321.417 2.559 20 10 DFCDRO Oc1ccccc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000179586495 426804395 /nfs/dbraw/zinc/80/43/95/426804395.db2.gz ZKTYENABPWFFEU-MJGOQNOKSA-N 1 0 313.397 2.717 20 10 DFCDRO CCCC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179611175 426806268 /nfs/dbraw/zinc/80/62/68/426806268.db2.gz AAOZPOUYKWLOBR-QGZVFWFLSA-N 1 0 324.490 2.542 20 10 DFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246201530 426809288 /nfs/dbraw/zinc/80/92/88/426809288.db2.gz JDCVSHPLUADGQW-RTBURBONSA-N 1 0 313.397 2.925 20 10 DFCDRO Cc1nc(CN2CC[NH+](Cc3cccc(C)c3O)CC2)cs1 ZINC000179651224 426809463 /nfs/dbraw/zinc/80/94/63/426809463.db2.gz YCHPJDFYWGZMSA-UHFFFAOYSA-N 1 0 317.458 2.783 20 10 DFCDRO Oc1ccccc1C[N@H+](CC[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000189661779 426916765 /nfs/dbraw/zinc/91/67/65/426916765.db2.gz YXUNJEKTUQWQII-IRXDYDNUSA-N 1 0 305.418 2.942 20 10 DFCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCC13CCOCC3)OCO2 ZINC000282717045 426921352 /nfs/dbraw/zinc/92/13/52/426921352.db2.gz PZDLQMWJWUUQSV-INIZCTEOSA-N 1 0 305.374 2.560 20 10 DFCDRO Cc1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)no1 ZINC000282630356 426921897 /nfs/dbraw/zinc/92/18/97/426921897.db2.gz JQYPYDSIEJSQDO-CQSZACIVSA-N 1 0 301.390 2.670 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000290968232 426872514 /nfs/dbraw/zinc/87/25/14/426872514.db2.gz SFWXLMBZPBLAID-CYBMUJFWSA-N 1 0 307.781 2.698 20 10 DFCDRO CC[C@H]([NH3+])CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000295271166 426886670 /nfs/dbraw/zinc/88/66/70/426886670.db2.gz SAMVXNNMGXXCJR-AWEZNQCLSA-N 1 0 315.417 2.570 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1O ZINC000283206408 426973981 /nfs/dbraw/zinc/97/39/81/426973981.db2.gz LTIIIOAABZBPRA-GRDNDAEWSA-N 1 0 305.418 2.611 20 10 DFCDRO COc1ccc(O)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282917326 426933630 /nfs/dbraw/zinc/93/36/30/426933630.db2.gz DVFDRQHSKGGZIY-UHFFFAOYSA-N 1 0 316.357 2.984 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c(O)c1 ZINC000282954395 426935013 /nfs/dbraw/zinc/93/50/13/426935013.db2.gz CEQHMNAQVMZYNG-DAYGRLMNSA-N 1 0 319.445 2.919 20 10 DFCDRO O=C(NCC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000295982105 427034808 /nfs/dbraw/zinc/03/48/08/427034808.db2.gz NFSSLHLHZINMRR-OAHLLOKOSA-N 1 0 314.360 2.538 20 10 DFCDRO CCOCC[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296219875 427115676 /nfs/dbraw/zinc/11/56/76/427115676.db2.gz GRNGIQZNRXRIND-UHFFFAOYSA-N 1 0 306.450 2.770 20 10 DFCDRO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000249457471 427116601 /nfs/dbraw/zinc/11/66/01/427116601.db2.gz GJGRGXITXBYZHB-FLFBIERCSA-N 1 0 312.457 2.878 20 10 DFCDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268840298 427134304 /nfs/dbraw/zinc/13/43/04/427134304.db2.gz NABOTVDTWNXJBI-GDBMZVCRSA-N 1 0 324.440 2.720 20 10 DFCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000268933805 427137800 /nfs/dbraw/zinc/13/78/00/427137800.db2.gz MRVHZVCVJAZGCN-RDTXWAMCSA-N 1 0 324.440 2.984 20 10 DFCDRO Oc1cccc(Cl)c1CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000268970303 427141190 /nfs/dbraw/zinc/14/11/90/427141190.db2.gz MSUDOJCOYRNJLM-DOTOQJQBSA-N 1 0 324.852 2.513 20 10 DFCDRO C[C@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249926431 427150289 /nfs/dbraw/zinc/15/02/89/427150289.db2.gz ZZZVWGXKLOJPQC-RBSFLKMASA-N 1 0 303.450 2.630 20 10 DFCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc(N2CCOCC2)c1 ZINC000292846601 427200658 /nfs/dbraw/zinc/20/06/58/427200658.db2.gz BMTIEHVZQRQULK-UHFFFAOYSA-N 1 0 324.424 2.748 20 10 DFCDRO COC1CCN(c2ccc(CN3CCO[C@H](C)C3)cc2)CC1 ZINC000296513648 427205834 /nfs/dbraw/zinc/20/58/34/427205834.db2.gz MGHDYJWNVWKMTJ-OAHLLOKOSA-N 1 0 304.434 2.523 20 10 DFCDRO CN(C)c1ccc(C[NH2+]CCOCC(F)(F)C(F)F)cc1 ZINC000277539523 427234846 /nfs/dbraw/zinc/23/48/46/427234846.db2.gz WLNUOXOGJRKBME-UHFFFAOYSA-N 1 0 308.319 2.759 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1O ZINC000293191386 427240025 /nfs/dbraw/zinc/24/00/25/427240025.db2.gz QGOMKYKYCYWOOO-MRXNPFEDSA-N 1 0 309.381 2.981 20 10 DFCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000269649552 427240133 /nfs/dbraw/zinc/24/01/33/427240133.db2.gz UWBGYKYAJAKZPP-SFHVURJKSA-N 1 0 315.461 2.776 20 10 DFCDRO COc1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cc1C ZINC000269897727 427301471 /nfs/dbraw/zinc/30/14/71/427301471.db2.gz DYLZQFGYLPUNNU-ROUUACIJSA-N 1 0 315.413 2.578 20 10 DFCDRO Cc1cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)ccc1N(C)C ZINC000293393867 427312802 /nfs/dbraw/zinc/31/28/02/427312802.db2.gz HCEKNYIMIKLCII-UHFFFAOYSA-N 1 0 315.461 2.552 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278131104 427413266 /nfs/dbraw/zinc/41/32/66/427413266.db2.gz CFGLDQPNGJKEDF-TZMCWYRMSA-N 1 0 303.324 2.836 20 10 DFCDRO CN1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)ccc2O)C1=O ZINC000271207637 427451223 /nfs/dbraw/zinc/45/12/23/427451223.db2.gz SJHMGVWYWMAAIH-KRWDZBQOSA-N 1 0 310.397 2.722 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1C ZINC000271232884 427461835 /nfs/dbraw/zinc/46/18/35/427461835.db2.gz RCXLPVMGENFEJF-QGZVFWFLSA-N 1 0 303.377 2.841 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000271246135 427469039 /nfs/dbraw/zinc/46/90/39/427469039.db2.gz VPMRASVHHPVPJE-INIZCTEOSA-N 1 0 319.376 2.623 20 10 DFCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1C ZINC000271262227 427470215 /nfs/dbraw/zinc/47/02/15/427470215.db2.gz ZKVPQWRTRHWLLT-QGZVFWFLSA-N 1 0 303.377 2.836 20 10 DFCDRO CCCN(Cc1ccccc1O)[C@@H](C)c1nnnn1C1CC1 ZINC000192049440 427470156 /nfs/dbraw/zinc/47/01/56/427470156.db2.gz MAHUZFKLKODOEL-LBPRGKRZSA-N 1 0 301.394 2.687 20 10 DFCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000278874648 427484846 /nfs/dbraw/zinc/48/48/46/427484846.db2.gz SATGJPRMLDLALD-FCEWJHQRSA-N 1 0 318.461 2.867 20 10 DFCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000278315820 427427690 /nfs/dbraw/zinc/42/76/90/427427690.db2.gz FOZHIFFKLHTFDA-ZANVPECISA-N 1 0 307.287 2.667 20 10 DFCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCn1cncn1 ZINC000293761253 427428518 /nfs/dbraw/zinc/42/85/18/427428518.db2.gz OYCUNPDGPFHVQV-SFHVURJKSA-N 1 0 322.412 2.947 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000278538753 427442431 /nfs/dbraw/zinc/44/24/31/427442431.db2.gz SUEVITQHEKFKKC-GJZGRUSLSA-N 1 0 306.475 2.927 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H](COC)[C@H]2CCCO2)ccc1OC ZINC000278545151 427442544 /nfs/dbraw/zinc/44/25/44/427442544.db2.gz ANXWAOHOCLGIEO-FUHWJXTLSA-N 1 0 323.433 2.515 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@H](COC)[C@@H]2CCCO2)cc1 ZINC000278575970 427446389 /nfs/dbraw/zinc/44/63/89/427446389.db2.gz FEDIOTLYPYLBNW-MSOLQXFVSA-N 1 0 306.450 2.816 20 10 DFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)ccc1N(C)C ZINC000293920613 427491582 /nfs/dbraw/zinc/49/15/82/427491582.db2.gz XUUIROHOKCLDMJ-QGZVFWFLSA-N 1 0 313.449 2.565 20 10 DFCDRO Cn1nncc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293977989 427510253 /nfs/dbraw/zinc/51/02/53/427510253.db2.gz BDSYAWPSIYQIID-GOSISDBHSA-N 1 0 322.412 2.984 20 10 DFCDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccccc1O ZINC000263694463 427544860 /nfs/dbraw/zinc/54/48/60/427544860.db2.gz HEOYWKKPJQVTGT-ZNMIVQPWSA-N 1 0 319.449 2.558 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccccc1O ZINC000192812056 427614782 /nfs/dbraw/zinc/61/47/82/427614782.db2.gz MQONPHNCGQDWRW-GOEBONIOSA-N 1 0 312.417 2.892 20 10 DFCDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000279091671 427556957 /nfs/dbraw/zinc/55/69/57/427556957.db2.gz NMVGTLJXRXUKJO-JTQLQIEISA-N 1 0 303.337 2.736 20 10 DFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cn[nH]c1 ZINC000271537153 427576230 /nfs/dbraw/zinc/57/62/30/427576230.db2.gz QJPLXWNDCAEKFT-CHWSQXEVSA-N 1 0 318.396 2.797 20 10 DFCDRO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000185004929 427577604 /nfs/dbraw/zinc/57/76/04/427577604.db2.gz HXIRLGINLGOUIG-ATZDWAIDSA-N 1 0 323.440 2.903 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)C(C)(C)C)C2)c1O ZINC000271704095 427582403 /nfs/dbraw/zinc/58/24/03/427582403.db2.gz DVONNCAMGJCSSS-HNNXBMFYSA-N 1 0 304.434 2.827 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c1 ZINC000185127589 427598276 /nfs/dbraw/zinc/59/82/76/427598276.db2.gz RXWOBUUUQQWZBE-HIFRSBDPSA-N 1 0 319.376 2.930 20 10 DFCDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000271940789 427598351 /nfs/dbraw/zinc/59/83/51/427598351.db2.gz BQZYGRBDDSFUJP-ZIAGYGMSSA-N 1 0 307.390 2.804 20 10 DFCDRO CCN(C)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185167690 427605629 /nfs/dbraw/zinc/60/56/29/427605629.db2.gz VKXICSQJNRFAQK-JTQLQIEISA-N 1 0 301.228 2.757 20 10 DFCDRO COCCCN1CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185314609 427633271 /nfs/dbraw/zinc/63/32/71/427633271.db2.gz UGAGARAUJGLOQN-OAHLLOKOSA-N 1 0 306.450 2.852 20 10 DFCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)CC2 ZINC000185317283 427633687 /nfs/dbraw/zinc/63/36/87/427633687.db2.gz DDHNAHVUHRPPPR-JOYOIKCWSA-N 1 0 306.797 2.611 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(Br)cc1O ZINC000185387053 427642147 /nfs/dbraw/zinc/64/21/47/427642147.db2.gz JCYAWWVVRREQKT-MWLCHTKSSA-N 1 0 300.196 2.984 20 10 DFCDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185389055 427646110 /nfs/dbraw/zinc/64/61/10/427646110.db2.gz BYRJZESWGYLXFO-NOZJJQNGSA-N 1 0 302.212 2.966 20 10 DFCDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc(Br)cc1O ZINC000185441965 427655110 /nfs/dbraw/zinc/65/51/10/427655110.db2.gz PMCRQKNDWGPFFO-SECBINFHSA-N 1 0 300.196 2.842 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1 ZINC000294768188 427656533 /nfs/dbraw/zinc/65/65/33/427656533.db2.gz JWEKBYHNLFPIOH-MRXNPFEDSA-N 1 0 317.477 2.866 20 10 DFCDRO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000295108196 427697869 /nfs/dbraw/zinc/69/78/69/427697869.db2.gz LIEMBCKVCRPKFT-CQSZACIVSA-N 1 0 314.385 2.818 20 10 DFCDRO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185774736 427703937 /nfs/dbraw/zinc/70/39/37/427703937.db2.gz SBTCEWWJUPHPKN-JSGCOSHPSA-N 1 0 316.405 2.624 20 10 DFCDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000185788422 427706507 /nfs/dbraw/zinc/70/65/07/427706507.db2.gz NCEHINUDWWRWMQ-XJKSGUPXSA-N 1 0 316.445 2.933 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000279615281 427712790 /nfs/dbraw/zinc/71/27/90/427712790.db2.gz GCPPEIVLPKDBEG-KDOFPFPSSA-N 1 0 321.417 2.561 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000279745233 427717941 /nfs/dbraw/zinc/71/79/41/427717941.db2.gz XKOACNGPBMVDPE-LLVKDONJSA-N 1 0 302.340 2.586 20 10 DFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)CC1 ZINC000194265319 427737061 /nfs/dbraw/zinc/73/70/61/427737061.db2.gz XGMYATABMLEBLI-IBGZPJMESA-N 1 0 316.445 2.678 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2ccccc2c1O ZINC000185994013 427739835 /nfs/dbraw/zinc/73/98/35/427739835.db2.gz JHWJVZSMCOUNCC-OCCSQVGLSA-N 1 0 308.385 2.803 20 10 DFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186029701 427742428 /nfs/dbraw/zinc/74/24/28/427742428.db2.gz SVXXEAKVIDGOOM-ZJUUUORDSA-N 1 0 305.827 2.519 20 10 DFCDRO CCCOc1ccc(CN2CC[C@H]3CC[N@H+](C)[C@H]3C2)c(O)c1 ZINC000371552903 428395993 /nfs/dbraw/zinc/39/59/93/428395993.db2.gz KCJCVVPUNCQYSW-PBHICJAKSA-N 1 0 304.434 2.707 20 10 DFCDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000371530227 428396079 /nfs/dbraw/zinc/39/60/79/428396079.db2.gz WZQVGVDJPGQDQT-OAHLLOKOSA-N 1 0 306.381 2.508 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1N1CCOCC1)c1cc(F)ccc1O ZINC000371870624 428406945 /nfs/dbraw/zinc/40/69/45/428406945.db2.gz RLCIZVKJGDXTAT-JJRVBVJISA-N 1 0 322.424 2.683 20 10 DFCDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000372080153 428412973 /nfs/dbraw/zinc/41/29/73/428412973.db2.gz BWLSUJFYDYIMQM-MOPGFXCFSA-N 1 0 315.461 2.728 20 10 DFCDRO O=C(N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000371338092 428382974 /nfs/dbraw/zinc/38/29/74/428382974.db2.gz YLKMARNPCVRNPX-CQSZACIVSA-N 1 0 308.809 2.536 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000372413468 428444759 /nfs/dbraw/zinc/44/47/59/428444759.db2.gz LVOWIDSZOFLQPP-INIZCTEOSA-N 1 0 302.418 2.678 20 10 DFCDRO CCc1nnc([C@@H]2C[N@H+]([C@H](CC)c3ccccc3O)CCO2)[nH]1 ZINC000372486188 428453717 /nfs/dbraw/zinc/45/37/17/428453717.db2.gz VIHDNOCJIZIFDA-HIFRSBDPSA-N 1 0 316.405 2.597 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000372598402 428471926 /nfs/dbraw/zinc/47/19/26/428471926.db2.gz GYCGNXJJESCGSJ-KGLIPLIRSA-N 1 0 315.417 2.760 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@]2(CCCOC2)O1 ZINC000373464311 428584029 /nfs/dbraw/zinc/58/40/29/428584029.db2.gz DSUWAQJSDDNREQ-QAPCUYQASA-N 1 0 321.417 2.561 20 10 DFCDRO C[N@H+](Cc1cccc(F)c1[O-])C1CC[NH+](C2CCOCC2)CC1 ZINC000361052185 428533115 /nfs/dbraw/zinc/53/31/15/428533115.db2.gz MDEBQGRZOOAVIJ-UHFFFAOYSA-N 1 0 322.424 2.607 20 10 DFCDRO Cc1cccc(C[N@@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)c1O ZINC000373605566 428617259 /nfs/dbraw/zinc/61/72/59/428617259.db2.gz YTHHVLHKGDZTGX-GOSISDBHSA-N 1 0 305.418 2.861 20 10 DFCDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(F)ccc1O)C[C@H](C)O2 ZINC000373979274 428656478 /nfs/dbraw/zinc/65/64/78/428656478.db2.gz WDZFPLGGDDAATK-IIYDPXPESA-N 1 0 309.381 2.690 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c1O ZINC000374189805 428667041 /nfs/dbraw/zinc/66/70/41/428667041.db2.gz LHZWYVNRFNAYFX-IRXDYDNUSA-N 1 0 320.408 2.793 20 10 DFCDRO COc1cccc(CN2CCC([NH2+]C3CCCC3)CC2)c1O ZINC000374267403 428671522 /nfs/dbraw/zinc/67/15/22/428671522.db2.gz BSIKRIWXAKZOGS-UHFFFAOYSA-N 1 0 304.434 2.897 20 10 DFCDRO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)no1 ZINC000362386758 428726850 /nfs/dbraw/zinc/72/68/50/428726850.db2.gz WMRDYHWIJSECMK-HNNXBMFYSA-N 1 0 300.406 2.824 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)Cc3c[nH]nc3C)CC2)cc1 ZINC000362388315 428729082 /nfs/dbraw/zinc/72/90/82/428729082.db2.gz DKYPQZGNDRTIIE-UHFFFAOYSA-N 1 0 314.433 2.828 20 10 DFCDRO Oc1ccc(F)cc1CN1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000374898874 428781592 /nfs/dbraw/zinc/78/15/92/428781592.db2.gz RMAVENKOSBPLIX-UHFFFAOYSA-N 1 0 315.270 2.832 20 10 DFCDRO C[C@@H]1Oc2c(cccc2F)[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000363532144 428937893 /nfs/dbraw/zinc/93/78/93/428937893.db2.gz GISBDODLDBHNRX-FVMDXXJSSA-N 1 0 317.316 2.872 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1cc(F)ccc1O ZINC000363857516 429000274 /nfs/dbraw/zinc/00/02/74/429000274.db2.gz QDYIGTQMOGTJMV-GFCCVEGCSA-N 1 0 312.348 2.963 20 10 DFCDRO Cc1cc(C)cc(N(C)C(=O)c2cn[nH]c2[C@@H]2CCC[NH2+]C2)c1 ZINC000423060370 429054112 /nfs/dbraw/zinc/05/41/12/429054112.db2.gz HXUQDWGMIXTOJM-CQSZACIVSA-N 1 0 312.417 2.770 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c(O)c1C ZINC000363868516 429131734 /nfs/dbraw/zinc/13/17/34/429131734.db2.gz NPTWJCIVIXJDQK-LSDHHAIUSA-N 1 0 314.433 2.672 20 10 DFCDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000364449044 429206594 /nfs/dbraw/zinc/20/65/94/429206594.db2.gz QKNWPTVZRGHTMO-GOSISDBHSA-N 1 0 312.344 2.627 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(C)cc1O ZINC000365580067 429344870 /nfs/dbraw/zinc/34/48/70/429344870.db2.gz CSMBOYRCXWFFOY-GOEBONIOSA-N 1 0 314.433 2.754 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)C[C@H]3CCCO3)CC2)cc1 ZINC000365711573 429362723 /nfs/dbraw/zinc/36/27/23/429362723.db2.gz GJMYTGPIKVKMGC-GOSISDBHSA-N 1 0 304.434 2.775 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000367309887 429619587 /nfs/dbraw/zinc/61/95/87/429619587.db2.gz YWKMWNAQYDMXFG-RDJZCZTQSA-N 1 0 304.434 2.640 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000367180465 429591852 /nfs/dbraw/zinc/59/18/52/429591852.db2.gz UAQPTVAHUGUVDJ-XKQJLSEDSA-N 1 0 301.434 2.557 20 10 DFCDRO CCCC(=O)N1CCC[N@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000367479263 429658350 /nfs/dbraw/zinc/65/83/50/429658350.db2.gz UDCAZSMGSIXPJD-UHFFFAOYSA-N 1 0 303.450 2.587 20 10 DFCDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000368052593 429776271 /nfs/dbraw/zinc/77/62/71/429776271.db2.gz XBRNLVXQHLSCEF-OAHLLOKOSA-N 1 0 302.374 2.788 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c(O)c1 ZINC000368090141 429785328 /nfs/dbraw/zinc/78/53/28/429785328.db2.gz PPERHQBDLHPTOY-CYBMUJFWSA-N 1 0 301.390 2.551 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c(O)c1C ZINC000368329752 429831492 /nfs/dbraw/zinc/83/14/92/429831492.db2.gz DXHXIKFKIVRACS-GOEBONIOSA-N 1 0 304.434 2.523 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000368362473 429837956 /nfs/dbraw/zinc/83/79/56/429837956.db2.gz GBJVQKIVMDWCSJ-XNRPHZJLSA-N 1 0 311.447 2.707 20 10 DFCDRO O=C(NCc1ccccc1O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000528147252 429854451 /nfs/dbraw/zinc/85/44/51/429854451.db2.gz DGGFQFWIOKKZBZ-MRXNPFEDSA-N 1 0 317.433 2.598 20 10 DFCDRO Cc1ncccc1/C=C/C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000493699224 429812420 /nfs/dbraw/zinc/81/24/20/429812420.db2.gz XVIRTWZZUREJFJ-VAWYXSNFSA-N 1 0 309.413 2.998 20 10 DFCDRO CCOCc1cc(C[NH2+][C@H]2CCc3nccn3C2)ccc1OC ZINC000368847357 429898618 /nfs/dbraw/zinc/89/86/18/429898618.db2.gz YBQNLRYZOLTQDB-INIZCTEOSA-N 1 0 315.417 2.533 20 10 DFCDRO CCOC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000529664185 430047713 /nfs/dbraw/zinc/04/77/13/430047713.db2.gz BATZIIMDPUVMRF-OAHLLOKOSA-N 1 0 301.386 2.783 20 10 DFCDRO CCOC[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000530103946 430098383 /nfs/dbraw/zinc/09/83/83/430098383.db2.gz ACCRJPYSSLGRBB-QGZVFWFLSA-N 1 0 305.418 2.508 20 10 DFCDRO CCOCc1cc(CN[C@@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530179797 430100700 /nfs/dbraw/zinc/10/07/00/430100700.db2.gz XQAYKTVTAIDORY-QGZVFWFLSA-N 1 0 304.434 2.606 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(Cl)c1 ZINC000529685227 430051109 /nfs/dbraw/zinc/05/11/09/430051109.db2.gz ZOPCPVAMOIGMCV-JGRMJRGVSA-N 1 0 313.850 2.839 20 10 DFCDRO COCC[C@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268910113 277239116 /nfs/dbraw/zinc/23/91/16/277239116.db2.gz YQGHAULHCIBASI-KKUMJFAQSA-N 1 0 324.440 2.954 20 10 DFCDRO C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCc3cccc(O)c32)C[C@@H](C)O1 ZINC000295872220 288067671 /nfs/dbraw/zinc/06/76/71/288067671.db2.gz HDVIYBWPKFNXIF-IIAWOOMASA-N 1 0 318.461 2.857 20 10 DFCDRO COC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000280964140 293113143 /nfs/dbraw/zinc/11/31/43/293113143.db2.gz KUGPSPFEFNYDHI-WBVHZDCISA-N 1 0 306.450 2.725 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC000273576806 295168570 /nfs/dbraw/zinc/16/85/70/295168570.db2.gz LXPHLEVGXZXEMC-IHRRRGAJSA-N 1 0 320.433 2.698 20 10 DFCDRO CCOc1cccc(CNc2ccc3c(c2)OCC[NH2+]C3)c1O ZINC000530180680 317774055 /nfs/dbraw/zinc/77/40/55/317774055.db2.gz BTDKLXWQBHRHQF-UHFFFAOYSA-N 1 0 314.385 2.885 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000092506838 332127469 /nfs/dbraw/zinc/12/74/69/332127469.db2.gz RWCNWLAOPBQXFP-SOLBZPMBSA-N 1 0 318.461 2.774 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000363778718 332246234 /nfs/dbraw/zinc/24/62/34/332246234.db2.gz CAKWJYIGYZOOJP-KFKAGJAMSA-N 1 0 317.477 2.657 20 10 DFCDRO CCOCc1cc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)ccc1OC ZINC000292889654 335097361 /nfs/dbraw/zinc/09/73/61/335097361.db2.gz CWOQHSCOUFCBQX-KBXCAEBGSA-N 1 0 307.434 2.872 20 10 DFCDRO CCOC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293553153 335109044 /nfs/dbraw/zinc/10/90/44/335109044.db2.gz RHKMZVPGBDKJNQ-UHFFFAOYSA-N 1 0 304.434 2.836 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC3(CC2)OCCCO3)c1O ZINC000293531241 335111688 /nfs/dbraw/zinc/11/16/88/335111688.db2.gz BXOLGIJUXVZAIT-UHFFFAOYSA-N 1 0 307.390 2.520 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1O ZINC000294692975 335125438 /nfs/dbraw/zinc/12/54/38/335125438.db2.gz BWWZXHYGNSBFMQ-MRXNPFEDSA-N 1 0 319.376 2.623 20 10 DFCDRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc2c(cc1O)CCCC2 ZINC000185639003 333211229 /nfs/dbraw/zinc/21/12/29/333211229.db2.gz PRZSGRKQLYNXRG-YVEFUNNKSA-N 1 0 307.459 2.790 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@H](C)O)C3)cc2)CC1 ZINC000294933027 335128918 /nfs/dbraw/zinc/12/89/18/335128918.db2.gz HMPJHXPILZNWCJ-DOTOQJQBSA-N 1 0 318.461 2.505 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@@H](C)O)C3)cc2)CC1 ZINC000294933045 335128992 /nfs/dbraw/zinc/12/89/92/335128992.db2.gz HMPJHXPILZNWCJ-WBVHZDCISA-N 1 0 318.461 2.505 20 10 DFCDRO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364508927 333324671 /nfs/dbraw/zinc/32/46/71/333324671.db2.gz LNUGXEBDEHJACY-LLVKDONJSA-N 1 0 313.188 2.738 20 10 DFCDRO OC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccc(F)cc1 ZINC000295790234 335137878 /nfs/dbraw/zinc/13/78/78/335137878.db2.gz BNJJCJSWKIZZQB-WMLDXEAASA-N 1 0 315.388 2.959 20 10 DFCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295904017 335138498 /nfs/dbraw/zinc/13/84/98/335138498.db2.gz IUECYSFPOPSLKP-NVXWUHKLSA-N 1 0 313.397 2.717 20 10 DFCDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000296257248 335142587 /nfs/dbraw/zinc/14/25/87/335142587.db2.gz DFVGDUZQNAVBSC-MLGOLLRUSA-N 1 0 324.465 2.628 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000296373442 335144001 /nfs/dbraw/zinc/14/40/01/335144001.db2.gz JGVUYYGKZYVCQH-QAPCUYQASA-N 1 0 315.461 2.996 20 10 DFCDRO CC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)[C@@H](C)CO ZINC000296866274 335147021 /nfs/dbraw/zinc/14/70/21/335147021.db2.gz ZGBXRGXVCLUVKB-HNNXBMFYSA-N 1 0 306.450 2.505 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269626520 334002553 /nfs/dbraw/zinc/00/25/53/334002553.db2.gz DWSRZBPVZTZMFD-INIZCTEOSA-N 1 0 302.418 2.758 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1 ZINC000273467306 334047394 /nfs/dbraw/zinc/04/73/94/334047394.db2.gz FBWMRQUOPKFTLR-RRFJBIMHSA-N 1 0 304.434 2.998 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c(O)c1 ZINC000192709607 336258995 /nfs/dbraw/zinc/25/89/95/336258995.db2.gz LBBVHHVUFCYCCD-CQSZACIVSA-N 1 0 312.417 2.810 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3nccn3C2)cc1F ZINC000361489921 336759008 /nfs/dbraw/zinc/75/90/08/336759008.db2.gz MHALXVWCCIEVIN-OAHLLOKOSA-N 1 0 316.424 2.973 20 10 DFCDRO O=C1C[C@H]([NH2+]Cc2c(O)ccc3ccccc32)[C@H]2CCCCN12 ZINC000369225046 336860888 /nfs/dbraw/zinc/86/08/88/336860888.db2.gz NFOYAUFCHNSJTE-DLBZAZTESA-N 1 0 310.397 2.788 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(O)c1C ZINC000369901161 336873991 /nfs/dbraw/zinc/87/39/91/336873991.db2.gz FJASDIQPMCSMLK-DAYGRLMNSA-N 1 0 305.418 2.998 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@H]3CCO)CC2)cc1 ZINC000372495933 336932991 /nfs/dbraw/zinc/93/29/91/336932991.db2.gz NRYIUKUDZUBKGR-KXBFYZLASA-N 1 0 318.461 2.805 20 10 DFCDRO O=C(Nc1ccccn1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000372972403 336944026 /nfs/dbraw/zinc/94/40/26/336944026.db2.gz HCBVXJUTWBOOOS-UHFFFAOYSA-N 1 0 311.385 2.638 20 10 DFCDRO COC[C@@H]1CCCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000375100933 337003343 /nfs/dbraw/zinc/00/33/43/337003343.db2.gz PMAVTZCCXPWWEQ-CYBMUJFWSA-N 1 0 309.406 2.658 20 10 DFCDRO COCCn1ncc2c1[C@@H]([NH2+]Cc1cc(F)ccc1O)CCC2 ZINC000375205677 337005787 /nfs/dbraw/zinc/00/57/87/337005787.db2.gz DYPYWGXICUUKTK-HNNXBMFYSA-N 1 0 319.380 2.541 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000375301260 337007419 /nfs/dbraw/zinc/00/74/19/337007419.db2.gz FTVPEQZYWDNXMS-SOVGHPHASA-N 1 0 315.461 2.851 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000375300743 337007482 /nfs/dbraw/zinc/00/74/82/337007482.db2.gz CMENRGSLZSDXQY-SCTDSRPQSA-N 1 0 315.461 2.851 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375406773 337010621 /nfs/dbraw/zinc/01/06/21/337010621.db2.gz VFENXEPYCRLXNG-NSHDSACASA-N 1 0 303.337 2.781 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1CN2CCCC[C@H]2CO1)c1ccc(C)cc1O ZINC000375661085 337015896 /nfs/dbraw/zinc/01/58/96/337015896.db2.gz BDEDXLIRUZWDOK-BQFCYCMXSA-N 1 0 318.461 2.995 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1ccc(C)cc1O ZINC000375661092 337015992 /nfs/dbraw/zinc/01/59/92/337015992.db2.gz BDEDXLIRUZWDOK-RYRKJORJSA-N 1 0 318.461 2.995 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCOC[C@H]3C)CC2)cc1 ZINC000376122394 337027619 /nfs/dbraw/zinc/02/76/19/337027619.db2.gz HYKYQXPTVZHOME-HZPDHXFCSA-N 1 0 318.461 2.926 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccncn3)C2)c(O)c1 ZINC000376310083 337031143 /nfs/dbraw/zinc/03/11/43/337031143.db2.gz XPCWPOLFCFIYJQ-HUUCEWRRSA-N 1 0 312.417 2.810 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000376340366 337031699 /nfs/dbraw/zinc/03/16/99/337031699.db2.gz KPADQQWIOXNOKT-HNNXBMFYSA-N 1 0 304.434 2.911 20 10 DFCDRO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1cccc(C)c1O)CCC2 ZINC000376614338 337038053 /nfs/dbraw/zinc/03/80/53/337038053.db2.gz GICCAFWERDJLPT-INIZCTEOSA-N 1 0 315.417 2.711 20 10 DFCDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000376940821 337043880 /nfs/dbraw/zinc/04/38/80/337043880.db2.gz KNIXGWYKOAEPED-HOTGVXAUSA-N 1 0 321.417 2.552 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000377403319 337051999 /nfs/dbraw/zinc/05/19/99/337051999.db2.gz NLUMPRKWKXNMLD-BBRMVZONSA-N 1 0 305.761 2.630 20 10 DFCDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000377680400 337058171 /nfs/dbraw/zinc/05/81/71/337058171.db2.gz PVYZNPWIJCUFJF-OAHLLOKOSA-N 1 0 320.364 2.927 20 10 DFCDRO CCN(CC)c1ccc(CN2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000377693743 337058722 /nfs/dbraw/zinc/05/87/22/337058722.db2.gz HSDACLFUUUSKDD-MOPGFXCFSA-N 1 0 318.461 2.913 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000377852437 337062563 /nfs/dbraw/zinc/06/25/63/337062563.db2.gz QGHRTHZQMNNLDC-ZBFHGGJFSA-N 1 0 302.418 2.788 20 10 DFCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H]2CCn3ccnc3C2)c1 ZINC000377859671 337062662 /nfs/dbraw/zinc/06/26/62/337062662.db2.gz JANDTCWQFNKUBB-CQSZACIVSA-N 1 0 315.417 2.682 20 10 DFCDRO c1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)[C@H]21 ZINC000377860495 337062897 /nfs/dbraw/zinc/06/28/97/337062897.db2.gz MYVSKOXCLUMVLC-PWRODBHTSA-N 1 0 320.436 2.951 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1F ZINC000378369923 337071092 /nfs/dbraw/zinc/07/10/92/337071092.db2.gz MFECKDLMWYLZLI-HOTGVXAUSA-N 1 0 310.438 2.598 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000378474231 337073795 /nfs/dbraw/zinc/07/37/95/337073795.db2.gz MFPZNLZSOZEDOZ-HIFRSBDPSA-N 1 0 313.449 2.572 20 10 DFCDRO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000179565850 337170285 /nfs/dbraw/zinc/17/02/85/337170285.db2.gz LAFWYLLOLGVYRS-INIZCTEOSA-N 1 0 311.429 2.902 20 10 DFCDRO COc1cccc(CNc2c[nH+]ccc2-n2cc(C)cn2)c1O ZINC000182669327 337189424 /nfs/dbraw/zinc/18/94/24/337189424.db2.gz VDOLJPMWBNHBFV-UHFFFAOYSA-N 1 0 310.357 2.902 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000184955527 337201969 /nfs/dbraw/zinc/20/19/69/337201969.db2.gz AZSYYOKOPGAVMP-CQSZACIVSA-N 1 0 314.433 2.912 20 10 DFCDRO C[C@@H](CO)CCC[NH2+]Cc1cc(Br)ccc1O ZINC000230158061 337269940 /nfs/dbraw/zinc/26/99/40/337269940.db2.gz VPJXUXUJDAITTE-SNVBAGLBSA-N 1 0 302.212 2.653 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189979872 337284231 /nfs/dbraw/zinc/28/42/31/337284231.db2.gz DXTSCFRLNPGMJL-UHFFFAOYSA-N 1 0 306.797 2.549 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@]2(CO)CCc3ccccc32)c1 ZINC000359961877 337441045 /nfs/dbraw/zinc/44/10/45/337441045.db2.gz UDQOUQMYHZJYOZ-ORAYPTAESA-N 1 0 313.397 2.885 20 10 DFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2COC2)c1O ZINC000528029398 337784646 /nfs/dbraw/zinc/78/46/46/337784646.db2.gz YWKMFEYUZCPARX-VIFPVBQESA-N 1 0 300.196 2.760 20 10 DFCDRO Oc1cc2c(cc1CN1CCCC[C@H]([NH+]3CCCC3)C1)OCO2 ZINC000092785827 337908331 /nfs/dbraw/zinc/90/83/31/337908331.db2.gz XOGXZUNRTKBVAV-HNNXBMFYSA-N 1 0 318.417 2.571 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCN2C2CCCC2)cc1OC ZINC000529671038 340767519 /nfs/dbraw/zinc/76/75/19/340767519.db2.gz XSSSABKILAEPRZ-OAHLLOKOSA-N 1 0 320.433 2.516 20 10 DFCDRO CC[N@H+](CCn1ccnc1)Cc1cc(Br)ccc1O ZINC000131544729 521185106 /nfs/dbraw/zinc/18/51/06/521185106.db2.gz GAACWVQUMPRTMS-UHFFFAOYSA-N 1 0 324.222 2.873 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c1O ZINC000191137488 518279268 /nfs/dbraw/zinc/27/92/68/518279268.db2.gz UUJZCKJZJIBZCP-UWVGGRQHSA-N 1 0 311.809 2.982 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1F ZINC000270364166 520895520 /nfs/dbraw/zinc/89/55/20/520895520.db2.gz YJNSOPFYNGBMJU-CQSZACIVSA-N 1 0 321.440 2.678 20 10 DFCDRO CCOc1ccc(O)c(C[N@H+](CC)C[C@@H](O)C(F)(F)F)c1 ZINC000189878054 521144875 /nfs/dbraw/zinc/14/48/75/521144875.db2.gz PTVVNIPFDSNELB-CYBMUJFWSA-N 1 0 307.312 2.536 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000237033148 521150679 /nfs/dbraw/zinc/15/06/79/521150679.db2.gz NREFGHTYALJKBU-UHFFFAOYSA-N 1 0 320.433 2.528 20 10 DFCDRO CCN1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000156568583 521640146 /nfs/dbraw/zinc/64/01/46/521640146.db2.gz OYPXALQQNJNJNP-GOSISDBHSA-N 1 0 317.477 2.738 20 10 DFCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000236892243 521951908 /nfs/dbraw/zinc/95/19/08/521951908.db2.gz GCUFGPSDHKUTCO-YJBOKZPZSA-N 1 0 317.477 2.913 20 10 DFCDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC000156071319 522040897 /nfs/dbraw/zinc/04/08/97/522040897.db2.gz SXBCKUJYWRTDMA-CYBMUJFWSA-N 1 0 313.239 2.681 20 10 DFCDRO C[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccccc1O ZINC000264735781 522422472 /nfs/dbraw/zinc/42/24/72/522422472.db2.gz SGBKRIQYWRVTNK-UHFFFAOYSA-N 1 0 302.418 2.758 20 10 DFCDRO CNC(=O)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268880647 524064869 /nfs/dbraw/zinc/06/48/69/524064869.db2.gz ZVPHCEROKYIAEZ-CQSZACIVSA-N 1 0 321.440 2.993 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000366358958 524217200 /nfs/dbraw/zinc/21/72/00/524217200.db2.gz UIFQMJBNBUANAL-IEBWSBKVSA-N 1 0 323.440 2.918 20 10 DFCDRO Cc1cccc(C[N@@H+](C)C2CCN(c3cccnn3)CC2)c1O ZINC000364904972 524375151 /nfs/dbraw/zinc/37/51/51/524375151.db2.gz LOKWABQEMMIKIZ-UHFFFAOYSA-N 1 0 312.417 2.591 20 10 DFCDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1O ZINC000180078863 524378575 /nfs/dbraw/zinc/37/85/75/524378575.db2.gz RGBSGRUQXPVEGO-MRXNPFEDSA-N 1 0 312.417 2.591 20 10 DFCDRO COc1ccc(N2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000268030961 524427159 /nfs/dbraw/zinc/42/71/59/524427159.db2.gz GCFVFPZLSQPFJF-KRWDZBQOSA-N 1 0 317.477 2.692 20 10 DFCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264985539 524608511 /nfs/dbraw/zinc/60/85/11/524608511.db2.gz VRCVCSKUALXYRX-CYBMUJFWSA-N 1 0 319.426 2.582 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000180487978 524745640 /nfs/dbraw/zinc/74/56/40/524745640.db2.gz MBJFTZQADVPNKW-LBPRGKRZSA-N 1 0 307.390 2.564 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1 ZINC000182101043 524756104 /nfs/dbraw/zinc/75/61/04/524756104.db2.gz OIKBWYKGOZHXNT-ZHRRBRCNSA-N 1 0 319.426 2.610 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000182387836 524772213 /nfs/dbraw/zinc/77/22/13/524772213.db2.gz YGYYKKAZRLTJMF-APPDUMDISA-N 1 0 305.349 2.924 20 10 DFCDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000192111681 524849956 /nfs/dbraw/zinc/84/99/56/524849956.db2.gz HNXAUYUUKGFGIN-GJZGRUSLSA-N 1 0 303.450 2.522 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC000180067253 524862341 /nfs/dbraw/zinc/86/23/41/524862341.db2.gz ZIYJNWRWUGGQDU-CQSZACIVSA-N 1 0 306.797 2.783 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1O ZINC000182492773 524869562 /nfs/dbraw/zinc/86/95/62/524869562.db2.gz AQDZHXVYIJJUDA-UHFFFAOYSA-N 1 0 319.854 2.657 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc(Br)ccc1O ZINC000189299741 525395380 /nfs/dbraw/zinc/39/53/80/525395380.db2.gz XRFVKVGFPTUMQK-UMNHJUIQSA-N 1 0 314.223 2.966 20 10 DFCDRO Cc1cc(C(=O)N(C)[C@@H](C)C[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000237462864 526224209 /nfs/dbraw/zinc/22/42/09/526224209.db2.gz MKKZZIFLRIBKMU-LBPRGKRZSA-N 1 0 303.381 2.652 20 10 DFCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCOC3(CCCC3)C1)OCO2 ZINC000136714634 526336049 /nfs/dbraw/zinc/33/60/49/526336049.db2.gz PWCVYIAMRUOBGB-ZDUSSCGKSA-N 1 0 305.374 2.702 20 10 DFCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC000364457856 526346456 /nfs/dbraw/zinc/34/64/56/526346456.db2.gz LPGXAPACLKEDSP-HOTGVXAUSA-N 1 0 324.852 2.779 20 10 DFCDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000284572762 535159180 /nfs/dbraw/zinc/15/91/80/535159180.db2.gz IUNFQAYVPVGCPC-YOEHRIQHSA-N 1 0 319.380 2.929 20 10 DFCDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000284413409 535159382 /nfs/dbraw/zinc/15/93/82/535159382.db2.gz DDWBLKCWOWCNSR-YOEHRIQHSA-N 1 0 301.390 2.789 20 10 DFCDRO CCOC1CC2(C1)CC[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000284977025 535398508 /nfs/dbraw/zinc/39/85/08/535398508.db2.gz BOEUZOFUCOVGMW-UHFFFAOYSA-N 1 0 305.374 2.512 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000284222445 535765745 /nfs/dbraw/zinc/76/57/45/535765745.db2.gz CWDITKUWEVEAJF-LESCRADOSA-N 1 0 322.493 2.951 20 10 DFCDRO CC[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000284411192 535944166 /nfs/dbraw/zinc/94/41/66/535944166.db2.gz QGVLLSYVGACHRU-SZMVWBNQSA-N 1 0 322.493 2.951 20 10 DFCDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)OC ZINC000272641306 536629949 /nfs/dbraw/zinc/62/99/49/536629949.db2.gz CSWCNTISEUHVHV-CRAIPNDOSA-N 1 0 306.450 2.989 20 10 DFCDRO COCCOc1ncccc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000273438547 536742238 /nfs/dbraw/zinc/74/22/38/536742238.db2.gz XVOQFNSFBRHOIK-AWEZNQCLSA-N 1 0 316.401 2.972 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000090182350 185285953 /nfs/dbraw/zinc/28/59/53/185285953.db2.gz RFAANFINLVMGTN-DZGCQCFKSA-N 1 0 301.434 2.557 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000066701885 398393244 /nfs/dbraw/zinc/39/32/44/398393244.db2.gz YZWULBVXLPLOTQ-AWEZNQCLSA-N 1 0 307.438 2.654 20 10 DFCDRO CCN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1cccc(C)c1 ZINC000592484294 398432743 /nfs/dbraw/zinc/43/27/43/398432743.db2.gz YISUHWJFIFSYIF-CQSZACIVSA-N 1 0 312.417 2.694 20 10 DFCDRO CC[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N(C)C)cc1 ZINC000090662121 398490999 /nfs/dbraw/zinc/49/09/99/398490999.db2.gz BDHBSBAUNGUCQC-QGZVFWFLSA-N 1 0 306.450 2.582 20 10 DFCDRO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090849195 398494850 /nfs/dbraw/zinc/49/48/50/398494850.db2.gz UTEJQMAKXMNGMU-RDTXWAMCSA-N 1 0 322.424 2.618 20 10 DFCDRO CCS(=O)(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000069172831 398554984 /nfs/dbraw/zinc/55/49/84/398554984.db2.gz OYMRBBALHDJHOE-UHFFFAOYSA-N 1 0 319.426 2.584 20 10 DFCDRO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000092097816 398557300 /nfs/dbraw/zinc/55/73/00/398557300.db2.gz SPKQTNHFNPHVQN-KRWDZBQOSA-N 1 0 310.397 2.770 20 10 DFCDRO Cc1ccc(O)c(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1 ZINC000092472558 398578931 /nfs/dbraw/zinc/57/89/31/398578931.db2.gz LMINAQKVTNLJPX-SFHVURJKSA-N 1 0 315.413 2.710 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(c3nc(C)n[nH]3)CC2)c1O ZINC000092736753 398598039 /nfs/dbraw/zinc/59/80/39/398598039.db2.gz LTIKEFYRXKGFJT-UHFFFAOYSA-N 1 0 316.405 2.597 20 10 DFCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CCCCO3)CC2)cc1 ZINC000052465272 398841121 /nfs/dbraw/zinc/84/11/21/398841121.db2.gz GGPBXSKKRINTRF-SFHVURJKSA-N 1 0 304.434 2.776 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Br)cc1O ZINC000184851310 299308797 /nfs/dbraw/zinc/30/87/97/299308797.db2.gz DLNRBZSXMFWYNU-ONGXEEELSA-N 1 0 300.196 2.984 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1 ZINC000091833201 193114235 /nfs/dbraw/zinc/11/42/35/193114235.db2.gz MHMBLHODWXXABM-ZDUSSCGKSA-N 1 0 317.389 2.862 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1O ZINC000079438495 399044915 /nfs/dbraw/zinc/04/49/15/399044915.db2.gz XMWPZNRZKMGPRS-GFCCVEGCSA-N 1 0 317.364 2.837 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NC)C2)cc1F ZINC000093360756 193238366 /nfs/dbraw/zinc/23/83/66/193238366.db2.gz IVVKSHFMVQEXTL-HNNXBMFYSA-N 1 0 321.440 2.630 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000020567263 182233528 /nfs/dbraw/zinc/23/35/28/182233528.db2.gz MXOLVDKLMYQBMU-ZDUSSCGKSA-N 1 0 305.761 2.975 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)CC2 ZINC000297926142 285396768 /nfs/dbraw/zinc/39/67/68/285396768.db2.gz XIOCZTLYJIQOHL-ZDUSSCGKSA-N 1 0 314.351 2.996 20 10 DFCDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000272246659 130011708 /nfs/dbraw/zinc/01/17/08/130011708.db2.gz BJROTMDEPYQWAM-CVEARBPZSA-N 1 0 306.450 2.725 20 10 DFCDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(Br)cc1O ZINC000273365832 130112352 /nfs/dbraw/zinc/11/23/52/130112352.db2.gz DZHUKWYLJTWMHZ-SNVBAGLBSA-N 1 0 324.222 2.782 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c(O)c1C ZINC000273419101 130119344 /nfs/dbraw/zinc/11/93/44/130119344.db2.gz RUEBKGVAYAFQEQ-CYBMUJFWSA-N 1 0 302.374 2.683 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c(O)c1C ZINC000273452862 130123945 /nfs/dbraw/zinc/12/39/45/130123945.db2.gz GKQHTEDQUJZTAG-LSDHHAIUSA-N 1 0 321.417 2.582 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000273504068 130129684 /nfs/dbraw/zinc/12/96/84/130129684.db2.gz QSZPGRVXCBAJDI-ZBEGNZNMSA-N 1 0 305.349 2.924 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c(O)c1C ZINC000273588445 130139791 /nfs/dbraw/zinc/13/97/91/130139791.db2.gz OMSRIABUIAYGOF-OAHLLOKOSA-N 1 0 306.450 2.770 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(F)ccc1O ZINC000273602527 130143811 /nfs/dbraw/zinc/14/38/11/130143811.db2.gz SECXBYMEDCUNNA-SCRDCRAPSA-N 1 0 308.397 2.829 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000273613267 130145270 /nfs/dbraw/zinc/14/52/70/130145270.db2.gz WRASXZGMLBQQIV-CFVMTHIKSA-N 1 0 320.433 2.702 20 10 DFCDRO CCOC(=O)C[C@](C)([NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000274781266 130261127 /nfs/dbraw/zinc/26/11/27/130261127.db2.gz VQKQYBPDEYJBKP-KRWDZBQOSA-N 1 0 323.389 2.578 20 10 DFCDRO Cn1cncc1[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000275713255 130369099 /nfs/dbraw/zinc/36/90/99/130369099.db2.gz YMYOUFHOPLNEOD-ZBEGNZNMSA-N 1 0 321.808 2.789 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000279975176 130773910 /nfs/dbraw/zinc/77/39/10/130773910.db2.gz YVMKNBFEGZVWHK-ZFWWWQNUSA-N 1 0 321.440 2.676 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC(=O)NC23CCC3)cc1 ZINC000282639570 130933270 /nfs/dbraw/zinc/93/32/70/130933270.db2.gz GXJIROVFWUSLAP-KRWDZBQOSA-N 1 0 315.461 2.824 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cc(Cl)ccc1O ZINC000283497871 130998585 /nfs/dbraw/zinc/99/85/85/130998585.db2.gz YOFDPDGTPFYKNF-IINYFYTJSA-N 1 0 308.809 2.898 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1OC ZINC000283864061 131030153 /nfs/dbraw/zinc/03/01/53/131030153.db2.gz CISULMXAGGOGIX-HIFRSBDPSA-N 1 0 307.390 2.553 20 10 DFCDRO COCCN1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000284045196 131043475 /nfs/dbraw/zinc/04/34/75/131043475.db2.gz KAAXLUHMKFTXJH-OAHLLOKOSA-N 1 0 306.450 2.770 20 10 DFCDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000284733069 131107388 /nfs/dbraw/zinc/10/73/88/131107388.db2.gz UAEZQKGGGXQONO-HLLBOEOZSA-N 1 0 309.381 2.547 20 10 DFCDRO CCNC(=O)C1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CCC1 ZINC000285234271 131149413 /nfs/dbraw/zinc/14/94/13/131149413.db2.gz PKGJLFRXGUDTON-CQSZACIVSA-N 1 0 304.434 2.966 20 10 DFCDRO CN(C)c1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000285829539 131204645 /nfs/dbraw/zinc/20/46/45/131204645.db2.gz XPLULSSFZVDCOR-SFYZZRBRSA-N 1 0 315.461 2.522 20 10 DFCDRO CCOC1CC(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)C1 ZINC000286582377 131242515 /nfs/dbraw/zinc/24/25/15/131242515.db2.gz WPLHESVRSOTYGQ-UHFFFAOYSA-N 1 0 322.424 2.771 20 10 DFCDRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000287287558 131273731 /nfs/dbraw/zinc/27/37/31/131273731.db2.gz DCZREADMGDMMKY-AWEZNQCLSA-N 1 0 319.445 2.853 20 10 DFCDRO C[C@H]([NH2+]Cc1cnnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000287522548 131285405 /nfs/dbraw/zinc/28/54/05/131285405.db2.gz ZURBXNGVWDOLCG-ZDUSSCGKSA-N 1 0 317.412 2.795 20 10 DFCDRO COc1ccc(O)c(CN(CC[NH+](C)C)Cc2ccc(C)o2)c1 ZINC000289183210 131363639 /nfs/dbraw/zinc/36/36/39/131363639.db2.gz ASALWRSBBVXMHC-UHFFFAOYSA-N 1 0 318.417 2.866 20 10 DFCDRO C[C@@H](CO)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000289183230 131363947 /nfs/dbraw/zinc/36/39/47/131363947.db2.gz ASGWUNSLFUKAOP-AWEZNQCLSA-N 1 0 301.386 2.784 20 10 DFCDRO COCCC[N@H+](Cc1ccncc1)Cc1cc(OC)ccc1O ZINC000289434965 131386203 /nfs/dbraw/zinc/38/62/03/131386203.db2.gz LGHHHRQADLTARD-UHFFFAOYSA-N 1 0 316.401 2.835 20 10 DFCDRO CN(C)c1ccc(CNC(=O)C[NH+](C2CCC2)C2CCC2)cc1 ZINC000298101798 132046174 /nfs/dbraw/zinc/04/61/74/132046174.db2.gz IVUTUDRUTJNXHY-UHFFFAOYSA-N 1 0 315.461 2.776 20 10 DFCDRO CN(C)c1ccc(C[N@H+](CC(=O)NC2CCCC2)C2CC2)cc1 ZINC000298731437 132075595 /nfs/dbraw/zinc/07/55/95/132075595.db2.gz SUVOIQOESKJSRW-UHFFFAOYSA-N 1 0 315.461 2.776 20 10 DFCDRO CCc1nc(C)c(C[NH2+]Cc2cc(OC)c(OC)cc2O)o1 ZINC000292739833 543016880 /nfs/dbraw/zinc/01/68/80/543016880.db2.gz HHIUWUVCSFEXOA-UHFFFAOYSA-N 1 0 306.362 2.558 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]CCCc2cnn(C)n2)cc1F ZINC000292989664 543018116 /nfs/dbraw/zinc/01/81/16/543018116.db2.gz NVZXAPUQOMEDOI-UHFFFAOYSA-N 1 0 319.428 2.523 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000189003408 287045397 /nfs/dbraw/zinc/04/53/97/287045397.db2.gz VXWQMUCUCDMSRR-CABCVRRESA-N 1 0 303.450 2.804 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000066703819 425905988 /nfs/dbraw/zinc/90/59/88/425905988.db2.gz BHXOBADQBMKOKZ-CQSZACIVSA-N 1 0 319.449 2.797 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000066703820 425906133 /nfs/dbraw/zinc/90/61/33/425906133.db2.gz BHXOBADQBMKOKZ-AWEZNQCLSA-N 1 0 319.449 2.797 20 10 DFCDRO CC[C@@H]([NH2+][C@H](C)CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000156787755 425935768 /nfs/dbraw/zinc/93/57/68/425935768.db2.gz YHFLJAOXFBYZGQ-CRAIPNDOSA-N 1 0 305.466 2.514 20 10 DFCDRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2O)c(C)c1 ZINC000111234992 426039745 /nfs/dbraw/zinc/03/97/45/426039745.db2.gz UXAZLGVJOKBUTL-QGZVFWFLSA-N 1 0 315.413 2.881 20 10 DFCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)CC1CCOCC1 ZINC000112698060 426087450 /nfs/dbraw/zinc/08/74/50/426087450.db2.gz KEYVZWXQCOCWAC-KRWDZBQOSA-N 1 0 305.418 2.800 20 10 DFCDRO C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103293 426089710 /nfs/dbraw/zinc/08/97/10/426089710.db2.gz ACOUFCDELIILHY-MSOLQXFVSA-N 1 0 318.461 2.858 20 10 DFCDRO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000164801931 426118442 /nfs/dbraw/zinc/11/84/42/426118442.db2.gz IPSKPTCJKMYOBG-HNNXBMFYSA-N 1 0 324.490 2.762 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c(O)c1 ZINC000128498063 426120161 /nfs/dbraw/zinc/12/01/61/426120161.db2.gz AXSZIPFJPGABPE-CQSZACIVSA-N 1 0 315.417 2.904 20 10 DFCDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166471471 426127325 /nfs/dbraw/zinc/12/73/25/426127325.db2.gz YCEMQUIEXYMXIP-OAHLLOKOSA-N 1 0 317.477 2.927 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)cc1 ZINC000166410348 426127901 /nfs/dbraw/zinc/12/79/01/426127901.db2.gz KXCVAPIHNCIUKT-RLFYNMQTSA-N 1 0 306.450 2.987 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000167858079 426133143 /nfs/dbraw/zinc/13/31/43/426133143.db2.gz MUAHOKRMAVLVIN-QGZVFWFLSA-N 1 0 315.461 2.539 20 10 DFCDRO COc1ccc(N2CCC[N@H+](CC[C@H]3CCC[NH+]3C)CC2)cc1 ZINC000162839886 426079582 /nfs/dbraw/zinc/07/95/82/426079582.db2.gz CXXNYXRJXKLJAH-QGZVFWFLSA-N 1 0 317.477 2.692 20 10 DFCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172798524 426231163 /nfs/dbraw/zinc/23/11/63/426231163.db2.gz ULVLFHCWAQTKIC-MRXNPFEDSA-N 1 0 312.369 2.849 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000151295713 426288187 /nfs/dbraw/zinc/28/81/87/426288187.db2.gz PPOJMIQTLCGMOT-RTBURBONSA-N 1 0 319.493 2.640 20 10 DFCDRO C[C@H]([NH2+]CCc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000151380110 426292282 /nfs/dbraw/zinc/29/22/82/426292282.db2.gz KFMPDHZZMCIUJA-INIZCTEOSA-N 1 0 311.429 2.812 20 10 DFCDRO C[C@@H]([NH2+]CCc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000151380175 426292431 /nfs/dbraw/zinc/29/24/31/426292431.db2.gz KFMPDHZZMCIUJA-MRXNPFEDSA-N 1 0 311.429 2.812 20 10 DFCDRO CCC[N@@H+](Cc1ccccc1O)Cc1nc(CC)cc(=O)[nH]1 ZINC000119743147 426302055 /nfs/dbraw/zinc/30/20/55/426302055.db2.gz QZVSZXOHHOBUTN-UHFFFAOYSA-N 1 0 301.390 2.862 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc2ccccc2c1O ZINC000175423236 426304127 /nfs/dbraw/zinc/30/41/27/426304127.db2.gz LZVXUXLZJMQZAM-HIFRSBDPSA-N 1 0 300.402 2.527 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000089726463 426304478 /nfs/dbraw/zinc/30/44/78/426304478.db2.gz LVRZSMJFLMZWBI-AMXDTQDGSA-N 1 0 319.426 2.989 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000092661171 426351699 /nfs/dbraw/zinc/35/16/99/426351699.db2.gz MUSPAXPFAPBXON-IBGZPJMESA-N 1 0 318.461 2.913 20 10 DFCDRO COc1cccc(C[NH+]2CCC(OC3CCOCC3)CC2)c1O ZINC000093140891 426352400 /nfs/dbraw/zinc/35/24/00/426352400.db2.gz KHOPYEVFLLQSEM-UHFFFAOYSA-N 1 0 321.417 2.561 20 10 DFCDRO COCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152769425 426352797 /nfs/dbraw/zinc/35/27/97/426352797.db2.gz IOEKZKITANTKSA-UONOGXRCSA-N 1 0 310.413 2.738 20 10 DFCDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000154012121 426418541 /nfs/dbraw/zinc/41/85/41/426418541.db2.gz IQBMTPNZGPPORE-AWEZNQCLSA-N 1 0 322.405 2.501 20 10 DFCDRO C[N@H+](CCC1OCCO1)Cc1ccc(N2CCCCC2)cc1 ZINC000123655192 426446605 /nfs/dbraw/zinc/44/66/05/426446605.db2.gz FTHQESXVRGKXNS-UHFFFAOYSA-N 1 0 304.434 2.872 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC)cc1 ZINC000154803661 426456574 /nfs/dbraw/zinc/45/65/74/426456574.db2.gz GTNWZJOMLXRWTE-QGZVFWFLSA-N 1 0 303.450 2.633 20 10 DFCDRO CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000154978785 426461084 /nfs/dbraw/zinc/46/10/84/426461084.db2.gz YVRDRBZMQNLXLQ-INMHGKMJSA-N 1 0 306.450 2.932 20 10 DFCDRO CC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(C)cc1O ZINC000280251923 426531162 /nfs/dbraw/zinc/53/11/62/426531162.db2.gz WSCZSMHGHLAAQP-CQSZACIVSA-N 1 0 313.463 2.955 20 10 DFCDRO c1cc(N2CCCCC2)ccc1CN1CCOC[C@@]12CCOC2 ZINC000195015367 426497888 /nfs/dbraw/zinc/49/78/88/426497888.db2.gz UZMSLQUCKQDMRR-IBGZPJMESA-N 1 0 316.445 2.668 20 10 DFCDRO CC[C@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(C)cc1O ZINC000280075775 426503470 /nfs/dbraw/zinc/50/34/70/426503470.db2.gz LKJGTTLTCUJDAU-RDJZCZTQSA-N 1 0 306.450 2.710 20 10 DFCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1c(O)cccc1Cl)C[C@@H](C)O2 ZINC000280450455 426578899 /nfs/dbraw/zinc/57/88/99/426578899.db2.gz LFIJVOXVWHCBHU-WQGACYEGSA-N 1 0 311.809 2.814 20 10 DFCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1c(O)cccc1Cl)C[C@@H](C)O2 ZINC000280450448 426579715 /nfs/dbraw/zinc/57/97/15/426579715.db2.gz LFIJVOXVWHCBHU-HSMVNMDESA-N 1 0 311.809 2.814 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000280584352 426607552 /nfs/dbraw/zinc/60/75/52/426607552.db2.gz WYUZXUPALRHGNC-IYOUNJFTSA-N 1 0 321.417 2.559 20 10 DFCDRO CC[C@H](C[NH2+]Cc1cccc(OC)c1O)NC(=O)OC(C)(C)C ZINC000227719396 426631369 /nfs/dbraw/zinc/63/13/69/426631369.db2.gz PTDJREVAZZUNJH-CYBMUJFWSA-N 1 0 324.421 2.794 20 10 DFCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000178490973 426639253 /nfs/dbraw/zinc/63/92/53/426639253.db2.gz ILRIHNZEGVNFNE-MRXNPFEDSA-N 1 0 315.417 2.816 20 10 DFCDRO CC[C@@H](C[NH2+]Cc1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000233882949 426656300 /nfs/dbraw/zinc/65/63/00/426656300.db2.gz BCURYCZLPBXDLY-ZDUSSCGKSA-N 1 0 312.385 2.924 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ncccc2N(C)C)c1 ZINC000289749162 426673863 /nfs/dbraw/zinc/67/38/63/426673863.db2.gz IBTKHYLMJDFCAC-UHFFFAOYSA-N 1 0 301.390 2.542 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1ccc(C)cc1O ZINC000280888440 426677621 /nfs/dbraw/zinc/67/76/21/426677621.db2.gz DZWUUWCMEBAAPA-RDJZCZTQSA-N 1 0 304.434 3.000 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1ccc(C)cc1O ZINC000280888438 426678895 /nfs/dbraw/zinc/67/88/95/426678895.db2.gz DZWUUWCMEBAAPA-NVXWUHKLSA-N 1 0 304.434 3.000 20 10 DFCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000227684875 426628567 /nfs/dbraw/zinc/62/85/67/426628567.db2.gz XTAPVRSATVRAFV-LBPRGKRZSA-N 1 0 306.406 2.624 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178430646 426629530 /nfs/dbraw/zinc/62/95/30/426629530.db2.gz HMAWWMLARDGWBX-GJZGRUSLSA-N 1 0 322.424 2.740 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1O ZINC000290158963 426704399 /nfs/dbraw/zinc/70/43/99/426704399.db2.gz LRCDTYLUZFROEZ-RHSMWYFYSA-N 1 0 319.788 2.938 20 10 DFCDRO C[C@@H](CCO)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280971164 426697563 /nfs/dbraw/zinc/69/75/63/426697563.db2.gz TUBRSSLLKUIICT-NSHDSACASA-N 1 0 304.356 2.880 20 10 DFCDRO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000281565691 426724080 /nfs/dbraw/zinc/72/40/80/426724080.db2.gz KBIPIMHOACWULL-ZBFHGGJFSA-N 1 0 324.440 2.864 20 10 DFCDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)c(OC)n1 ZINC000290280721 426732801 /nfs/dbraw/zinc/73/28/01/426732801.db2.gz XDYZTVKSBHHVOO-LBPRGKRZSA-N 1 0 302.374 2.964 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1OC ZINC000245545649 426750666 /nfs/dbraw/zinc/75/06/66/426750666.db2.gz UGODZCHMQWDEEF-KSSFIOAISA-N 1 0 321.417 2.536 20 10 DFCDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179581686 426801810 /nfs/dbraw/zinc/80/18/10/426801810.db2.gz CWKYQLXSRYEFNF-CQSZACIVSA-N 1 0 306.406 2.881 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290601153 426802648 /nfs/dbraw/zinc/80/26/48/426802648.db2.gz VYWAQLSPTPRBPT-INIZCTEOSA-N 1 0 318.461 2.955 20 10 DFCDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2O)C1 ZINC000179562615 426803239 /nfs/dbraw/zinc/80/32/39/426803239.db2.gz GDCMTJXQQSKLAE-HOCLYGCPSA-N 1 0 304.434 2.909 20 10 DFCDRO CCOCc1cc(C[NH2+]C2(CN(C)C)CCC2)ccc1OC ZINC000282168359 426844546 /nfs/dbraw/zinc/84/45/46/426844546.db2.gz JBUMRAHSWWKUID-UHFFFAOYSA-N 1 0 306.450 2.806 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000290832908 426849087 /nfs/dbraw/zinc/84/90/87/426849087.db2.gz HSARZAOQAQPSDD-SJORKVTESA-N 1 0 303.402 2.934 20 10 DFCDRO COc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1C ZINC000282618454 426919945 /nfs/dbraw/zinc/91/99/45/426919945.db2.gz FHTDUJVBXQPTCW-SJLPKXTDSA-N 1 0 319.445 2.661 20 10 DFCDRO COc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000290881612 426862150 /nfs/dbraw/zinc/86/21/50/426862150.db2.gz KUQOLQRYDDNZOI-RDJZCZTQSA-N 1 0 303.402 2.934 20 10 DFCDRO COc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000290881599 426862771 /nfs/dbraw/zinc/86/27/71/426862771.db2.gz KUQOLQRYDDNZOI-DOTOQJQBSA-N 1 0 303.402 2.934 20 10 DFCDRO C[S@](=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000282292712 426872870 /nfs/dbraw/zinc/87/28/70/426872870.db2.gz JEANFCZFBJJEEF-NRFANRHFSA-N 1 0 306.475 2.678 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1O ZINC000291191060 426881169 /nfs/dbraw/zinc/88/11/69/426881169.db2.gz GOPQDFVLWSBUGG-JTQLQIEISA-N 1 0 321.751 2.504 20 10 DFCDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000291359668 426883251 /nfs/dbraw/zinc/88/32/51/426883251.db2.gz YOHMGAJUWFYMTC-OAHLLOKOSA-N 1 0 320.481 2.623 20 10 DFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1C ZINC000282923196 426933421 /nfs/dbraw/zinc/93/34/21/426933421.db2.gz WALWYLSSMTYRIL-CRAIPNDOSA-N 1 0 319.445 2.666 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc(F)ccc1O ZINC000282957853 426934989 /nfs/dbraw/zinc/93/49/89/426934989.db2.gz CIIZDWBBGDKVHB-DCGLDWPTSA-N 1 0 323.408 2.750 20 10 DFCDRO COc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1O ZINC000291807582 426995521 /nfs/dbraw/zinc/99/55/21/426995521.db2.gz XUVZJRBCBPJOHQ-CQSZACIVSA-N 1 0 316.376 2.908 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@H]3CCCO3)cc2)CC1 ZINC000295545357 427000140 /nfs/dbraw/zinc/00/01/40/427000140.db2.gz OTODNNJQWIQUGZ-LJQANCHMSA-N 1 0 318.461 2.913 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCOCC3(C)C)cc2)CC1 ZINC000295616257 427013015 /nfs/dbraw/zinc/01/30/15/427013015.db2.gz VXEJNUUPKIWXQG-UHFFFAOYSA-N 1 0 318.461 2.913 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cc2c(cc1O)CCCC2 ZINC000276698622 427117848 /nfs/dbraw/zinc/11/78/48/427117848.db2.gz VNQUNVQCPZLWCY-NEPJUHHUSA-N 1 0 300.406 2.811 20 10 DFCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296225040 427118168 /nfs/dbraw/zinc/11/81/68/427118168.db2.gz AEHOLBBFKSTEGZ-AAEUAGOBSA-N 1 0 306.406 2.882 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]CCOCC(F)(F)C(F)F)CC2 ZINC000296258937 427126950 /nfs/dbraw/zinc/12/69/50/427126950.db2.gz BPIKNKKDAICMSQ-JTQLQIEISA-N 1 0 307.287 2.886 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1F ZINC000277055210 427130879 /nfs/dbraw/zinc/13/08/79/427130879.db2.gz PNMOSMSORZOMFX-UHFFFAOYSA-N 1 0 301.365 2.551 20 10 DFCDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268837708 427134528 /nfs/dbraw/zinc/13/45/28/427134528.db2.gz HBXOQFAGQATOQC-LXTVHRRPSA-N 1 0 324.440 2.952 20 10 DFCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C[C@H](C)O ZINC000268943518 427138883 /nfs/dbraw/zinc/13/88/83/427138883.db2.gz ATLPOWGMPZHVGB-ILXRZTDVSA-N 1 0 324.440 2.720 20 10 DFCDRO CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000277196491 427139130 /nfs/dbraw/zinc/13/91/30/427139130.db2.gz JACXKDWHCWOZLV-CQSZACIVSA-N 1 0 303.450 2.710 20 10 DFCDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCC1 ZINC000277338292 427171110 /nfs/dbraw/zinc/17/11/10/427171110.db2.gz UXIWONLGLKGLKF-AWEZNQCLSA-N 1 0 304.434 2.966 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000292921807 427205378 /nfs/dbraw/zinc/20/53/78/427205378.db2.gz BWEUDMOGLDOPHA-GOSISDBHSA-N 1 0 323.408 2.964 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1O ZINC000183247727 427232093 /nfs/dbraw/zinc/23/20/93/427232093.db2.gz MWHFAQVWZAEUMU-OAHLLOKOSA-N 1 0 321.417 2.766 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000183338292 427249888 /nfs/dbraw/zinc/24/98/88/427249888.db2.gz WBUQMOIQQKCWDQ-HOCLYGCPSA-N 1 0 322.424 2.882 20 10 DFCDRO Cc1ccncc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000269725862 427264202 /nfs/dbraw/zinc/26/42/02/427264202.db2.gz VABNVXXCNCQAGX-UHFFFAOYSA-N 1 0 311.429 2.859 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCCO[C@H](C)C3)cc2)CC1 ZINC000297026469 427308629 /nfs/dbraw/zinc/30/86/29/427308629.db2.gz HBRCQCBTPAFUMP-MRXNPFEDSA-N 1 0 318.461 2.913 20 10 DFCDRO COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC000277890602 427349602 /nfs/dbraw/zinc/34/96/02/427349602.db2.gz OOKTZVYSLASTND-MRXNPFEDSA-N 1 0 306.450 2.594 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCc2cnn(C)n2)cc1 ZINC000293626502 427384480 /nfs/dbraw/zinc/38/44/80/427384480.db2.gz GEZGPGIDEVGPKU-CQSZACIVSA-N 1 0 301.438 2.555 20 10 DFCDRO COc1cc(O)c(C[N@@H+](C)C2CCC(OC)CC2)cc1OC ZINC000271103604 427403974 /nfs/dbraw/zinc/40/39/74/427403974.db2.gz QMUNCBVZJHLBBW-UHFFFAOYSA-N 1 0 309.406 2.799 20 10 DFCDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000270631827 427363793 /nfs/dbraw/zinc/36/37/93/427363793.db2.gz HTGRZVGBBYNXDV-LRDDRELGSA-N 1 0 307.390 2.804 20 10 DFCDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(C)c3O)C2)n(C)n1 ZINC000278774829 427449605 /nfs/dbraw/zinc/44/96/05/427449605.db2.gz VCILYEJTKAEFCG-INIZCTEOSA-N 1 0 314.433 2.501 20 10 DFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000271260415 427471459 /nfs/dbraw/zinc/47/14/59/427471459.db2.gz GZTKRYQSTKBHPR-INIZCTEOSA-N 1 0 318.465 2.556 20 10 DFCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000278874652 427485325 /nfs/dbraw/zinc/48/53/25/427485325.db2.gz SATGJPRMLDLALD-FRQCXROJSA-N 1 0 318.461 2.867 20 10 DFCDRO CCOC1CC(O)(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000278183150 427424782 /nfs/dbraw/zinc/42/47/82/427424782.db2.gz BRCFBXVHDVPIJK-DAIYRKSASA-N 1 0 319.445 2.852 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](C)CCc2noc(C)n2)cc1 ZINC000271189620 427438511 /nfs/dbraw/zinc/43/85/11/427438511.db2.gz RVGSHROVYVBFBV-UHFFFAOYSA-N 1 0 302.422 2.899 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC000278424846 427440228 /nfs/dbraw/zinc/44/02/28/427440228.db2.gz GJAQBIZQTKDJRB-JKSUJKDBSA-N 1 0 306.450 2.852 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(C3(C)OCCO3)CC2)cc1 ZINC000271191703 427443654 /nfs/dbraw/zinc/44/36/54/427443654.db2.gz PYBZZIOGQDIGLK-UHFFFAOYSA-N 1 0 304.434 2.728 20 10 DFCDRO CCSCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278541078 427443570 /nfs/dbraw/zinc/44/35/70/427443570.db2.gz XHZKLWKZRFFDMR-SNVBAGLBSA-N 1 0 314.407 2.930 20 10 DFCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)[nH]1 ZINC000271332297 427497392 /nfs/dbraw/zinc/49/73/92/427497392.db2.gz NHFORFUWJGMRNP-LLVKDONJSA-N 1 0 306.797 2.852 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1F ZINC000293966208 427505110 /nfs/dbraw/zinc/50/51/10/427505110.db2.gz ALJMVMPUODPVMM-GOEBONIOSA-N 1 0 321.440 2.806 20 10 DFCDRO COc1cccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1O ZINC000263654692 427530525 /nfs/dbraw/zinc/53/05/25/427530525.db2.gz FMISVBVBOIIBNF-UHFFFAOYSA-N 1 0 318.329 2.607 20 10 DFCDRO CO[C@H]1C[C@@H](CN2CCCC2)[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000286442330 427531792 /nfs/dbraw/zinc/53/17/92/427531792.db2.gz QFRYEYNLFZWUSZ-ROUUACIJSA-N 1 0 318.461 2.694 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCCn2nc(COC)nc21)c1ccccc1O ZINC000185213951 427613920 /nfs/dbraw/zinc/61/39/20/427613920.db2.gz JMSIOXGRLOTETO-ZIAGYGMSSA-N 1 0 316.405 2.706 20 10 DFCDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184869437 427557105 /nfs/dbraw/zinc/55/71/05/427557105.db2.gz XAPCIOWTPAULDG-CYBMUJFWSA-N 1 0 304.434 2.694 20 10 DFCDRO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000184935561 427566037 /nfs/dbraw/zinc/56/60/37/427566037.db2.gz QKDBKDSGCGOXNW-LSDHHAIUSA-N 1 0 318.461 2.642 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1 ZINC000185026881 427579907 /nfs/dbraw/zinc/57/99/07/427579907.db2.gz OYQUHJYDAWPQNP-LLVKDONJSA-N 1 0 320.355 2.936 20 10 DFCDRO Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2c2cccnn2)c1O ZINC000271719780 427584161 /nfs/dbraw/zinc/58/41/61/427584161.db2.gz JJVWEGZEUBXLOY-INIZCTEOSA-N 1 0 312.417 2.591 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000271771993 427585324 /nfs/dbraw/zinc/58/53/24/427585324.db2.gz DJJKQTCMKAQFAG-PIGZYNQJSA-N 1 0 305.349 2.924 20 10 DFCDRO Cc1cccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1O ZINC000271793967 427585901 /nfs/dbraw/zinc/58/59/01/427585901.db2.gz HISKQWJSOCGLEM-INIZCTEOSA-N 1 0 310.397 2.875 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@H]2CCc3c2cccc3O)cc1OC ZINC000271900576 427591249 /nfs/dbraw/zinc/59/12/49/427591249.db2.gz VNSQFJZABKHOLD-AWEZNQCLSA-N 1 0 315.369 2.892 20 10 DFCDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000192714263 427591397 /nfs/dbraw/zinc/59/13/97/427591397.db2.gz IWJQZBBVCBEHOQ-CABCVRRESA-N 1 0 314.429 2.917 20 10 DFCDRO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185098466 427596681 /nfs/dbraw/zinc/59/66/81/427596681.db2.gz QOWCRUQXHMCUJD-MEDUHNTESA-N 1 0 305.349 2.924 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCOC1)c1cc(Br)ccc1O ZINC000185386399 427643170 /nfs/dbraw/zinc/64/31/70/427643170.db2.gz XPXYFYRPRNFAGM-ONGXEEELSA-N 1 0 300.196 2.984 20 10 DFCDRO CC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185389037 427645720 /nfs/dbraw/zinc/64/57/20/427645720.db2.gz BYRJZESWGYLXFO-RNCFNFMXSA-N 1 0 302.212 2.966 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c1 ZINC000185444095 427654731 /nfs/dbraw/zinc/65/47/31/427654731.db2.gz MVNBZFSSKAPYMS-ZDUSSCGKSA-N 1 0 320.433 2.700 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnn(CC(F)F)c2)cc1 ZINC000294914186 427666285 /nfs/dbraw/zinc/66/62/85/427666285.db2.gz NQZQDKXQJCQFPB-UHFFFAOYSA-N 1 0 308.376 2.846 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@H]3CCOC3)cc2)CC1 ZINC000294975567 427669915 /nfs/dbraw/zinc/66/99/15/427669915.db2.gz LZRKNCCBPBDLJN-QGZVFWFLSA-N 1 0 318.461 2.770 20 10 DFCDRO CCn1nccc1C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000279461460 427679391 /nfs/dbraw/zinc/67/93/91/427679391.db2.gz RDHRIFJLSBLMQA-UHFFFAOYSA-N 1 0 315.417 2.997 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1O ZINC000295092086 427687562 /nfs/dbraw/zinc/68/75/62/427687562.db2.gz AENNBNIHUHVSJH-APHBMKBZSA-N 1 0 307.365 2.637 20 10 DFCDRO C[C@]1(O)CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000279704421 427716078 /nfs/dbraw/zinc/71/60/78/427716078.db2.gz ROZYFDCASKVEEA-AWEZNQCLSA-N 1 0 314.223 2.892 20 10 DFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2F)CC1 ZINC000194265154 427737044 /nfs/dbraw/zinc/73/70/44/427737044.db2.gz UOFXDCGQKNSFNQ-MRXNPFEDSA-N 1 0 320.408 2.569 20 10 DFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C2CC2)O1 ZINC000369527875 427989038 /nfs/dbraw/zinc/98/90/38/427989038.db2.gz POQBOBCTIZVDLK-HNAYVOBHSA-N 1 0 316.445 2.523 20 10 DFCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCc3ccccc3OC1)OCO2 ZINC000370284885 428173776 /nfs/dbraw/zinc/17/37/76/428173776.db2.gz HNBBQJKSBDPDPE-AWEZNQCLSA-N 1 0 313.353 2.604 20 10 DFCDRO CCN(CC)CC[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000371559865 428394180 /nfs/dbraw/zinc/39/41/80/428394180.db2.gz BJFJNXSEPOXPCJ-UHFFFAOYSA-N 1 0 319.493 2.938 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1OC ZINC000371357378 428385337 /nfs/dbraw/zinc/38/53/37/428385337.db2.gz KPGUFPXTCAWJBU-CSMYWGQOSA-N 1 0 321.417 2.655 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCN2C)c1 ZINC000371383586 428385558 /nfs/dbraw/zinc/38/55/58/428385558.db2.gz ORLXGXUOHLJPPW-DLBZAZTESA-N 1 0 304.434 2.850 20 10 DFCDRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000372979816 428509952 /nfs/dbraw/zinc/50/99/52/428509952.db2.gz UTYBXAKDRIXAFJ-OAHLLOKOSA-N 1 0 311.385 2.638 20 10 DFCDRO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2O)n1 ZINC000373226906 428524126 /nfs/dbraw/zinc/52/41/26/428524126.db2.gz DMMOKQXTSWVTSF-KRWDZBQOSA-N 1 0 314.433 2.964 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cc(Cl)ccc1O ZINC000373252468 428528453 /nfs/dbraw/zinc/52/84/53/428528453.db2.gz NMXXPNFDLGWOMH-FPMFFAJLSA-N 1 0 310.825 2.559 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1ccccc1O ZINC000373459540 428581596 /nfs/dbraw/zinc/58/15/96/428581596.db2.gz MBAZGJGBRMWEQX-HOCLYGCPSA-N 1 0 312.417 2.892 20 10 DFCDRO Cc1cccc(CN(C)[C@@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000362048089 428612628 /nfs/dbraw/zinc/61/26/28/428612628.db2.gz UYSOLQUMKHOUIY-OAHLLOKOSA-N 1 0 317.410 2.661 20 10 DFCDRO [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000362036124 428614028 /nfs/dbraw/zinc/61/40/28/428614028.db2.gz FKGLJJZWJROCQN-IJEWVQPXSA-N 1 0 306.837 2.962 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)c1 ZINC000373604565 428618155 /nfs/dbraw/zinc/61/81/55/428618155.db2.gz RDEIEJSJFJYLQY-GOSISDBHSA-N 1 0 305.418 2.861 20 10 DFCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000373738112 428643959 /nfs/dbraw/zinc/64/39/59/428643959.db2.gz NFPBDAFAUPERTA-JOQOYGCGSA-N 1 0 310.397 2.631 20 10 DFCDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000192714251 274220643 /nfs/dbraw/zinc/22/06/43/274220643.db2.gz IWJQZBBVCBEHOQ-GJZGRUSLSA-N 1 0 314.429 2.917 20 10 DFCDRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000373877356 428653885 /nfs/dbraw/zinc/65/38/85/428653885.db2.gz ANLUSAAIIYFCDR-ZBFHGGJFSA-N 1 0 302.418 2.581 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+](C)C2CCN(c3cccnn3)CC2)c1 ZINC000374257640 428670665 /nfs/dbraw/zinc/67/06/65/428670665.db2.gz ZMXWJEQDVSBHKA-UHFFFAOYSA-N 1 0 312.417 2.591 20 10 DFCDRO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374325625 428675111 /nfs/dbraw/zinc/67/51/11/428675111.db2.gz PKIMEMVSVRUNRL-CQSZACIVSA-N 1 0 315.461 2.755 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c1 ZINC000374741688 428742453 /nfs/dbraw/zinc/74/24/53/428742453.db2.gz COFBHHZYPVLWIU-UHFFFAOYSA-N 1 0 317.389 2.646 20 10 DFCDRO C[C@@H]1Oc2c(cccc2F)[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000363532146 428936479 /nfs/dbraw/zinc/93/64/79/428936479.db2.gz GISBDODLDBHNRX-XXFAHNHDSA-N 1 0 317.316 2.872 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c(O)c1C ZINC000363868515 429131960 /nfs/dbraw/zinc/13/19/60/429131960.db2.gz NPTWJCIVIXJDQK-HUUCEWRRSA-N 1 0 314.433 2.672 20 10 DFCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000365930679 429404904 /nfs/dbraw/zinc/40/49/04/429404904.db2.gz BHBBZNBLJHTYRX-IINYFYTJSA-N 1 0 312.207 2.766 20 10 DFCDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000366807763 429517692 /nfs/dbraw/zinc/51/76/92/429517692.db2.gz IJMAHVQWERNTOP-SUNYJGFJSA-N 1 0 321.417 2.559 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000367307212 429617398 /nfs/dbraw/zinc/61/73/98/429617398.db2.gz FXCPKJSTDMKNQC-MRXNPFEDSA-N 1 0 312.417 2.846 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@@]12CCCO2 ZINC000272681518 276345684 /nfs/dbraw/zinc/34/56/84/276345684.db2.gz NAUDYXSYEWKZOW-KURKYZTESA-N 1 0 322.424 2.708 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000368047060 429774830 /nfs/dbraw/zinc/77/48/30/429774830.db2.gz ZRBFJYXDPQUNKD-QWQRMKEZSA-N 1 0 321.417 2.732 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000368047061 429774891 /nfs/dbraw/zinc/77/48/91/429774891.db2.gz ZRBFJYXDPQUNKD-SUNYJGFJSA-N 1 0 321.417 2.732 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c(O)c1 ZINC000368360982 429835746 /nfs/dbraw/zinc/83/57/46/429835746.db2.gz BCSKHLFAAKAZOF-XNRPHZJLSA-N 1 0 311.447 2.707 20 10 DFCDRO Cc1ncccc1/C=C\C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000493699223 429812382 /nfs/dbraw/zinc/81/23/82/429812382.db2.gz XVIRTWZZUREJFJ-QXMHVHEDSA-N 1 0 309.413 2.998 20 10 DFCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000154778099 277250633 /nfs/dbraw/zinc/25/06/33/277250633.db2.gz AHYDDMIVTIXCEV-GOSISDBHSA-N 1 0 315.461 2.777 20 10 DFCDRO COCCOCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280005520 277537123 /nfs/dbraw/zinc/53/71/23/277537123.db2.gz SBVNVLDERPWPAB-UHFFFAOYSA-N 1 0 320.355 2.524 20 10 DFCDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc2ccccc2c1O ZINC000192933787 277619574 /nfs/dbraw/zinc/61/95/74/277619574.db2.gz MMRXZJRKAFIFAK-OAHLLOKOSA-N 1 0 314.429 2.918 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1O ZINC000179783944 281217152 /nfs/dbraw/zinc/21/71/52/281217152.db2.gz NXBIFURDRPYSSV-QGZVFWFLSA-N 1 0 310.397 2.764 20 10 DFCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000282860810 298351103 /nfs/dbraw/zinc/35/11/03/298351103.db2.gz UPIRGKFMRKGHMM-CHWSQXEVSA-N 1 0 323.868 2.930 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(CO)ccc2F)c1 ZINC000528437819 300790555 /nfs/dbraw/zinc/79/05/55/300790555.db2.gz ODDYUBAKBHREPI-LLVKDONJSA-N 1 0 305.349 2.883 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1O ZINC000293768124 335113300 /nfs/dbraw/zinc/11/33/00/335113300.db2.gz YHJSHOIAHGZHNM-GOSISDBHSA-N 1 0 324.424 2.634 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(N2CCCCC2)cc1 ZINC000293700267 335112148 /nfs/dbraw/zinc/11/21/48/335112148.db2.gz LZXGNHWDOCGGON-IPELMVKDSA-N 1 0 318.461 2.867 20 10 DFCDRO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(F)ccc1O ZINC000176982517 332966547 /nfs/dbraw/zinc/96/65/47/332966547.db2.gz CTTGRIOBENYCME-GFCCVEGCSA-N 1 0 316.380 2.641 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC3(C2)CCOCC3)c1O ZINC000318753949 333207135 /nfs/dbraw/zinc/20/71/35/333207135.db2.gz BCYOHJZTLGSZRB-UHFFFAOYSA-N 1 0 307.365 2.736 20 10 DFCDRO C[C@H](CCCO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185688074 333211830 /nfs/dbraw/zinc/21/18/30/333211830.db2.gz OODFTXXZOBRGIV-ZJUUUORDSA-N 1 0 302.212 2.966 20 10 DFCDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185689750 333211927 /nfs/dbraw/zinc/21/19/27/333211927.db2.gz HHXIIFLNYUHBFR-UWVGGRQHSA-N 1 0 302.212 2.966 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1 ZINC000295024122 335129748 /nfs/dbraw/zinc/12/97/48/335129748.db2.gz CMNWKFUAQBBAGL-SFHVURJKSA-N 1 0 302.393 2.585 20 10 DFCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCNC(=O)CC1 ZINC000295417201 335133965 /nfs/dbraw/zinc/13/39/65/335133965.db2.gz TWSUTTSZTZFVDC-OAHLLOKOSA-N 1 0 304.434 2.911 20 10 DFCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCNC(=O)CC1 ZINC000295417197 335134144 /nfs/dbraw/zinc/13/41/44/335134144.db2.gz TWSUTTSZTZFVDC-HNNXBMFYSA-N 1 0 304.434 2.911 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C)[C@H]3CO)cc2)CC1 ZINC000296005234 335139347 /nfs/dbraw/zinc/13/93/47/335139347.db2.gz NDUVAZDBUJUBNI-HNAYVOBHSA-N 1 0 318.461 2.505 20 10 DFCDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000122790624 333458403 /nfs/dbraw/zinc/45/84/03/333458403.db2.gz UQNSAKQMPCKELO-BTYIYWSLSA-N 1 0 308.491 2.924 20 10 DFCDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000296257233 335142834 /nfs/dbraw/zinc/14/28/34/335142834.db2.gz DFVGDUZQNAVBSC-BLLLJJGKSA-N 1 0 324.465 2.628 20 10 DFCDRO CCOc1cccc(C[N@H+](C)CCNC(=O)OC(C)(C)C)c1O ZINC000296585547 335144734 /nfs/dbraw/zinc/14/47/34/335144734.db2.gz PYYDRSHKQMQCHN-UHFFFAOYSA-N 1 0 324.421 2.747 20 10 DFCDRO C[C@H]([NH2+]CCC(C)(C)CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000296640973 335145477 /nfs/dbraw/zinc/14/54/77/335145477.db2.gz YBLAGPGICZRCIE-AWEZNQCLSA-N 1 0 324.440 2.722 20 10 DFCDRO COC(=O)[C@H](NCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000276424124 334077888 /nfs/dbraw/zinc/07/78/88/334077888.db2.gz GOFLOYDZEUAYEZ-QGZVFWFLSA-N 1 0 302.418 2.718 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277600203 334089329 /nfs/dbraw/zinc/08/93/29/334089329.db2.gz OQLJUFNDTZSJFK-MRXNPFEDSA-N 1 0 317.433 2.551 20 10 DFCDRO Cc1cnccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000296343999 334232330 /nfs/dbraw/zinc/23/23/30/334232330.db2.gz IMTOPAFRKZOAIK-UHFFFAOYSA-N 1 0 315.392 2.656 20 10 DFCDRO CC[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccccc1O ZINC000192710765 336259093 /nfs/dbraw/zinc/25/90/93/336259093.db2.gz OTZMOHXYOVIEKV-MRXNPFEDSA-N 1 0 312.417 2.892 20 10 DFCDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000192743691 336260228 /nfs/dbraw/zinc/26/02/28/336260228.db2.gz QDHLOEKCWRLWMG-CYBMUJFWSA-N 1 0 306.406 2.972 20 10 DFCDRO COc1c(C[NH2+]Cc2c(C)c3ccccc3n2C)c(C)nn1C ZINC000355113007 336495051 /nfs/dbraw/zinc/49/50/51/336495051.db2.gz IYSKHNBUDUUPNU-UHFFFAOYSA-N 1 0 312.417 2.827 20 10 DFCDRO Oc1ccc(Cl)cc1CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000367535152 336824511 /nfs/dbraw/zinc/82/45/11/336824511.db2.gz DQLMSDCMXORBAA-AWEZNQCLSA-N 1 0 312.866 2.669 20 10 DFCDRO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccccc3)C2)c1O ZINC000368489009 336846029 /nfs/dbraw/zinc/84/60/29/336846029.db2.gz WKMBBWMPNZUEFY-SFHVURJKSA-N 1 0 324.424 2.634 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC000374269989 336985405 /nfs/dbraw/zinc/98/54/05/336985405.db2.gz PDTDHXYDBBJJGZ-MAUKXSAKSA-N 1 0 321.417 2.609 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375322234 337008071 /nfs/dbraw/zinc/00/80/71/337008071.db2.gz SBPJFJAHIFEBCR-MOPGFXCFSA-N 1 0 316.445 2.667 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1C ZINC000375420321 337010992 /nfs/dbraw/zinc/01/09/92/337010992.db2.gz SRPUBCJISWWCID-SCTDSRPQSA-N 1 0 319.445 2.761 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000375845834 337021298 /nfs/dbraw/zinc/02/12/98/337021298.db2.gz HIJIYULMBHNONJ-KBPBESRZSA-N 1 0 314.433 2.829 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccncn2)C1)c1cc(F)ccc1O ZINC000376308464 337031017 /nfs/dbraw/zinc/03/10/17/337031017.db2.gz SKUZKFBQGMDJBI-JSGCOSHPSA-N 1 0 316.380 2.641 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1O ZINC000376495425 337035032 /nfs/dbraw/zinc/03/50/32/337035032.db2.gz OBMLEVQSVGNFTO-LRDDRELGSA-N 1 0 322.836 2.774 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCCC[C@H]3CO2)c(O)c1 ZINC000376894158 337043376 /nfs/dbraw/zinc/04/33/76/337043376.db2.gz RORXJHWZLGRMGA-HRCADAONSA-N 1 0 304.434 2.605 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)ccc21 ZINC000376904982 337043528 /nfs/dbraw/zinc/04/35/28/337043528.db2.gz SSCBJOYKYUUNAL-DZGCQCFKSA-N 1 0 314.351 2.878 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000377659822 337057850 /nfs/dbraw/zinc/05/78/50/337057850.db2.gz QQUQRDHFYXLCFA-FUHWJXTLSA-N 1 0 310.397 2.928 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN(CC(C)(C)O)CC1 ZINC000377665111 337057962 /nfs/dbraw/zinc/05/79/62/337057962.db2.gz ANXGWQVYWFYIPX-MRXNPFEDSA-N 1 0 306.450 2.622 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccc(F)cn3)CC2)c1 ZINC000377690074 337058622 /nfs/dbraw/zinc/05/86/22/337058622.db2.gz CUASACPYOCEQLQ-UHFFFAOYSA-N 1 0 301.365 2.557 20 10 DFCDRO [O-]c1c(F)cccc1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000377694845 337058838 /nfs/dbraw/zinc/05/88/38/337058838.db2.gz FLVLWYSELTUYBN-KBPBESRZSA-N 1 0 307.390 2.801 20 10 DFCDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000378490558 337074105 /nfs/dbraw/zinc/07/41/05/337074105.db2.gz DUGMVCQJTJUUAB-CVEARBPZSA-N 1 0 306.381 2.507 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)c2ccccc2)c1O ZINC000228674203 337078148 /nfs/dbraw/zinc/07/81/48/337078148.db2.gz UOSNNJPHALUHLK-CQSZACIVSA-N 1 0 307.777 2.877 20 10 DFCDRO O=C(Nc1nccs1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000360025125 337084010 /nfs/dbraw/zinc/08/40/10/337084010.db2.gz XCHNNONRPFNEIQ-UHFFFAOYSA-N 1 0 317.414 2.699 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1F ZINC000360079118 337085070 /nfs/dbraw/zinc/08/50/70/337085070.db2.gz ZAYJBCFWONBQJV-OAHLLOKOSA-N 1 0 316.424 2.690 20 10 DFCDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(Br)ccc1O ZINC000227437327 337205190 /nfs/dbraw/zinc/20/51/90/337205190.db2.gz JGOJTMJBMNGPRS-JTQLQIEISA-N 1 0 310.195 2.530 20 10 DFCDRO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185775709 337251209 /nfs/dbraw/zinc/25/12/09/337251209.db2.gz BOCNWAHSKZLNBY-JSGCOSHPSA-N 1 0 316.405 2.624 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2c2cccnn2)c(O)c1 ZINC000359957268 337440941 /nfs/dbraw/zinc/44/09/41/337440941.db2.gz HCNZESRIFGEKQH-HUUCEWRRSA-N 1 0 312.417 2.810 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)c1 ZINC000528001318 337779401 /nfs/dbraw/zinc/77/94/01/337779401.db2.gz OZPKNAATFOFUDG-MEDUHNTESA-N 1 0 312.369 2.615 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000238063175 340675692 /nfs/dbraw/zinc/67/56/92/340675692.db2.gz JABDKPRRENFUMO-UHFFFAOYSA-N 1 0 318.808 2.594 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1OC ZINC000529671037 340767487 /nfs/dbraw/zinc/76/74/87/340767487.db2.gz XSSSABKILAEPRZ-HNNXBMFYSA-N 1 0 320.433 2.516 20 10 DFCDRO CCCOc1ccc(C[NH+]2CCC(C(=O)OC)CC2)c(O)c1 ZINC000159222245 520347262 /nfs/dbraw/zinc/34/72/62/520347262.db2.gz WLACLLIOWMVQLG-UHFFFAOYSA-N 1 0 307.390 2.566 20 10 DFCDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000186462866 520968887 /nfs/dbraw/zinc/96/88/87/520968887.db2.gz UEBKXQZSVQMVNG-HIFRSBDPSA-N 1 0 305.422 2.634 20 10 DFCDRO CCOc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2CC)c1O ZINC000182075552 521345663 /nfs/dbraw/zinc/34/56/63/521345663.db2.gz YJGCCFRVPUJBEG-HZPDHXFCSA-N 1 0 304.434 2.850 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000179961382 521346374 /nfs/dbraw/zinc/34/63/74/521346374.db2.gz WOKVGXVFYIMPGJ-AWEZNQCLSA-N 1 0 321.417 2.955 20 10 DFCDRO CC[N@H+](Cc1cnc2cnccn12)Cc1ccc(N(C)C)cc1 ZINC000156838616 521435183 /nfs/dbraw/zinc/43/51/83/521435183.db2.gz PGDTWLSQXAGKOO-UHFFFAOYSA-N 1 0 309.417 2.817 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1F ZINC000131863168 522176202 /nfs/dbraw/zinc/17/62/02/522176202.db2.gz MWQURMHITYYCJR-MRXNPFEDSA-N 1 0 302.397 2.962 20 10 DFCDRO CC[C@H]([NH2+][C@H](C)CCO)c1cc(Br)ccc1O ZINC000120628691 522734086 /nfs/dbraw/zinc/73/40/86/522734086.db2.gz JRRFQGDVYIFSSO-SKDRFNHKSA-N 1 0 302.212 2.966 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1OC ZINC000181054546 522781224 /nfs/dbraw/zinc/78/12/24/522781224.db2.gz NUBWZJRWOQRGKL-HNNXBMFYSA-N 1 0 309.406 2.845 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1OC ZINC000181054566 522782748 /nfs/dbraw/zinc/78/27/48/522782748.db2.gz NUBWZJRWOQRGKL-OAHLLOKOSA-N 1 0 309.406 2.845 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)CCN1CC(F)F ZINC000180543288 523289846 /nfs/dbraw/zinc/28/98/46/523289846.db2.gz INOOXUOTVWVTKG-ZDUSSCGKSA-N 1 0 314.376 2.562 20 10 DFCDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268866362 523400792 /nfs/dbraw/zinc/40/07/92/523400792.db2.gz SVIIILSHRNGKMK-KBPBESRZSA-N 1 0 310.413 2.738 20 10 DFCDRO CC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000182440617 523672037 /nfs/dbraw/zinc/67/20/37/523672037.db2.gz XBHILVAHNNZCGW-CYBMUJFWSA-N 1 0 302.212 2.714 20 10 DFCDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000182465307 524102820 /nfs/dbraw/zinc/10/28/20/524102820.db2.gz DKXPHIGXSVLFOD-XIKOKIGWSA-N 1 0 317.385 2.794 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CCOCC(F)F)CC2)cc1 ZINC000364811993 524402962 /nfs/dbraw/zinc/40/29/62/524402962.db2.gz NRIGHNJBHANVFW-UHFFFAOYSA-N 1 0 314.376 2.535 20 10 DFCDRO COc1ccc(N2CC[NH+](CC[C@@H]3CCCO3)CC2)cc1F ZINC000189535813 524425987 /nfs/dbraw/zinc/42/59/87/524425987.db2.gz XODXPAJPZQXLKD-HNNXBMFYSA-N 1 0 308.397 2.525 20 10 DFCDRO COc1ccc(N2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000268030965 524426286 /nfs/dbraw/zinc/42/62/86/524426286.db2.gz GCFVFPZLSQPFJF-QGZVFWFLSA-N 1 0 317.477 2.692 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)Cc2cccc(C)c2)c1 ZINC000191612051 524775358 /nfs/dbraw/zinc/77/53/58/524775358.db2.gz GBPFUNOHCGKGBX-GOEBONIOSA-N 1 0 315.413 2.963 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000158260470 524775705 /nfs/dbraw/zinc/77/57/05/524775705.db2.gz JKDGGZNVGGDXDQ-DZGCQCFKSA-N 1 0 301.386 2.655 20 10 DFCDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000128769389 525177568 /nfs/dbraw/zinc/17/75/68/525177568.db2.gz DLTMETFFQZXNSR-LJQANCHMSA-N 1 0 314.429 2.975 20 10 DFCDRO C[C@]1(O)CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000129397321 525306731 /nfs/dbraw/zinc/30/67/31/525306731.db2.gz ZEJMZTXZZMZRPK-ZDUSSCGKSA-N 1 0 300.196 2.502 20 10 DFCDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182387959 525378118 /nfs/dbraw/zinc/37/81/18/525378118.db2.gz CRICAKNBFTUUAT-KZULUSFZSA-N 1 0 317.385 2.794 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(Br)cc1O ZINC000189322035 525485807 /nfs/dbraw/zinc/48/58/07/525485807.db2.gz VXNBFVKLCMMWKZ-FOGDFJRCSA-N 1 0 314.223 2.966 20 10 DFCDRO Cc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000237193223 525758505 /nfs/dbraw/zinc/75/85/05/525758505.db2.gz TXAWOQFMKLHYEM-GOSISDBHSA-N 1 0 311.429 2.539 20 10 DFCDRO Cc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c(O)c1O ZINC000179496373 526069458 /nfs/dbraw/zinc/06/94/58/526069458.db2.gz VZRHRLHFQRHIHQ-UHFFFAOYSA-N 1 0 320.433 2.599 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCOC2)c1O ZINC000180341312 526156750 /nfs/dbraw/zinc/15/67/50/526156750.db2.gz QHAXREAWGWQTQT-LLVKDONJSA-N 1 0 314.223 2.979 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1O ZINC000187986048 526157300 /nfs/dbraw/zinc/15/73/00/526157300.db2.gz VZQHKQCLEOOCBS-ZWNOBZJWSA-N 1 0 314.223 2.714 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000180042642 526348971 /nfs/dbraw/zinc/34/89/71/526348971.db2.gz PQISNTKYPXYPED-CYBMUJFWSA-N 1 0 301.365 2.860 20 10 DFCDRO Oc1ccccc1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000191673442 526371084 /nfs/dbraw/zinc/37/10/84/526371084.db2.gz KRFBZRWHWQPYJW-UHFFFAOYSA-N 1 0 302.349 2.970 20 10 DFCDRO Cn1cc([C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)cn1 ZINC000267599312 527320826 /nfs/dbraw/zinc/32/08/26/527320826.db2.gz MNNJVQYGWRYOSF-LJQANCHMSA-N 1 0 323.396 2.852 20 10 DFCDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273402546 534947488 /nfs/dbraw/zinc/94/74/88/534947488.db2.gz NLKGUJVDIVKWNG-STQMWFEESA-N 1 0 307.394 2.683 20 10 DFCDRO CC(C)[N@H+](C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000299522881 534993810 /nfs/dbraw/zinc/99/38/10/534993810.db2.gz ZKXBOIBMRYBCRO-UHFFFAOYSA-N 1 0 317.477 2.976 20 10 DFCDRO CCCCC[N@H+](CC(N)=O)Cc1ccc(OCCC)cc1O ZINC000272478718 535021688 /nfs/dbraw/zinc/02/16/88/535021688.db2.gz BTKZLMLHEXSHRX-UHFFFAOYSA-N 1 0 308.422 2.659 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@H](O)CCc2ccccc2)c1O ZINC000273140168 535460653 /nfs/dbraw/zinc/46/06/53/535460653.db2.gz OLSRLXSMTPTKBJ-QGZVFWFLSA-N 1 0 315.413 2.874 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000289365661 535685501 /nfs/dbraw/zinc/68/55/01/535685501.db2.gz KUKKWLBMMWWGRQ-IBGZPJMESA-N 1 0 318.461 2.914 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000287236449 535804761 /nfs/dbraw/zinc/80/47/61/535804761.db2.gz YLAYHZAQCSEYJK-WMLDXEAASA-N 1 0 324.490 2.618 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@H]3OC)CC2)cc1 ZINC000163901917 536669583 /nfs/dbraw/zinc/66/95/83/536669583.db2.gz FHUYJCZWPQINKK-ZWKOTPCHSA-N 1 0 304.434 2.821 20 10 DFCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826291759 608527107 /nfs/dbraw/zinc/52/71/07/608527107.db2.gz VBPBURXYDQLESG-UHFFFAOYSA-N 1 0 309.373 2.513 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1 ZINC000090183613 185286065 /nfs/dbraw/zinc/28/60/65/185286065.db2.gz JFGVPGMOAVAQJZ-AWEZNQCLSA-N 1 0 324.490 2.618 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000092789630 185341398 /nfs/dbraw/zinc/34/13/98/185341398.db2.gz VMAHIVXOGQJBBD-UHFFFAOYSA-N 1 0 312.413 2.724 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1O ZINC000092812764 185343132 /nfs/dbraw/zinc/34/31/32/185343132.db2.gz XONWIQAVZWYQFA-AWEZNQCLSA-N 1 0 313.401 2.730 20 10 DFCDRO C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000066863485 398403922 /nfs/dbraw/zinc/40/39/22/398403922.db2.gz WWFDVQRSSRAZIZ-OAHLLOKOSA-N 1 0 303.450 2.585 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000299321472 529782398 /nfs/dbraw/zinc/78/23/98/529782398.db2.gz GRNFRLHJJKZOHQ-LJQANCHMSA-N 1 0 323.440 2.643 20 10 DFCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000088698671 398440223 /nfs/dbraw/zinc/44/02/23/398440223.db2.gz WABZOZMIZNNZKM-CYBMUJFWSA-N 1 0 312.360 2.635 20 10 DFCDRO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090849196 398494864 /nfs/dbraw/zinc/49/48/64/398494864.db2.gz UTEJQMAKXMNGMU-KSSFIOAISA-N 1 0 322.424 2.618 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1O ZINC000093870182 398649011 /nfs/dbraw/zinc/64/90/11/398649011.db2.gz UIJKHXIPGVJRQM-CQSZACIVSA-N 1 0 315.417 2.589 20 10 DFCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093898998 398649825 /nfs/dbraw/zinc/64/98/25/398649825.db2.gz NILRZWRTBPENHP-CQSZACIVSA-N 1 0 312.413 2.873 20 10 DFCDRO CC[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(N(C)C)cc1 ZINC000053781749 398882316 /nfs/dbraw/zinc/88/23/16/398882316.db2.gz HFORQATWCZGPIV-UHFFFAOYSA-N 1 0 311.429 2.874 20 10 DFCDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc(N2CCCC2)n1 ZINC000077326745 398898932 /nfs/dbraw/zinc/89/89/32/398898932.db2.gz CLYOVYFURMNARY-UHFFFAOYSA-N 1 0 309.413 2.907 20 10 DFCDRO CCCOc1ccc(C[NH+]2CCC(OCCOC)CC2)c(O)c1 ZINC000093339620 193234315 /nfs/dbraw/zinc/23/43/15/193234315.db2.gz DDWVTSUEAFDUFV-UHFFFAOYSA-N 1 0 323.433 2.808 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@H](c2cccs2)N(C)C)c1 ZINC000021806000 182291323 /nfs/dbraw/zinc/29/13/23/182291323.db2.gz BBCRADOJFBKRIH-CQSZACIVSA-N 1 0 306.431 2.855 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccccc1 ZINC000272249326 130012407 /nfs/dbraw/zinc/01/24/07/130012407.db2.gz LPDUSXLKPJVRNG-ZBFHGGJFSA-N 1 0 311.429 2.903 20 10 DFCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000272373234 130023573 /nfs/dbraw/zinc/02/35/73/130023573.db2.gz GXOQCVVMBLJWAW-SUMWQHHRSA-N 1 0 304.409 2.980 20 10 DFCDRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000272829103 130067184 /nfs/dbraw/zinc/06/71/84/130067184.db2.gz HNUBRAVDULTJGK-UHFFFAOYSA-N 1 0 321.440 2.582 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1O ZINC000272886813 130071471 /nfs/dbraw/zinc/07/14/71/130071471.db2.gz RWQRDSZYAVCCMA-CYBMUJFWSA-N 1 0 319.426 2.788 20 10 DFCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000273077327 130088045 /nfs/dbraw/zinc/08/80/45/130088045.db2.gz PRWXLQRHZROZHO-LRTDBIEQSA-N 1 0 303.427 2.916 20 10 DFCDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000273361015 130111435 /nfs/dbraw/zinc/11/14/35/130111435.db2.gz AGZILJKSPPTKIP-RHSMWYFYSA-N 1 0 318.461 2.642 20 10 DFCDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000273429311 130121031 /nfs/dbraw/zinc/12/10/31/130121031.db2.gz VFRZDXHTVXJOMG-CYBMUJFWSA-N 1 0 316.376 2.920 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273539571 130134042 /nfs/dbraw/zinc/13/40/42/130134042.db2.gz YBANJHQBBVDFQJ-SWLSCSKDSA-N 1 0 319.376 2.794 20 10 DFCDRO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273591858 130141628 /nfs/dbraw/zinc/14/16/28/130141628.db2.gz PIQMYVGMGJGUJM-CHWSQXEVSA-N 1 0 300.406 2.602 20 10 DFCDRO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc2c(cc1O)CCCC2 ZINC000273617788 130144898 /nfs/dbraw/zinc/14/48/98/130144898.db2.gz YACPOLSJALIYIX-ZDUSSCGKSA-N 1 0 316.445 2.967 20 10 DFCDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000275433875 130319237 /nfs/dbraw/zinc/31/92/37/130319237.db2.gz FMJHLLQJSMETGK-YOEHRIQHSA-N 1 0 319.380 2.501 20 10 DFCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccccc2O)cc1 ZINC000284197750 131058503 /nfs/dbraw/zinc/05/85/03/131058503.db2.gz YSZVKVJNDFGMMD-QGZVFWFLSA-N 1 0 300.402 2.793 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c(O)c1 ZINC000285081858 131136511 /nfs/dbraw/zinc/13/65/11/131136511.db2.gz JOXVOFYTMNJXND-CABCVRRESA-N 1 0 321.417 2.582 20 10 DFCDRO O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c[nH+]cn2c1 ZINC000285270719 131153093 /nfs/dbraw/zinc/15/30/93/131153093.db2.gz MQWPSKQSWKYDBB-UHFFFAOYSA-N 1 0 321.380 2.849 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000286820122 131251091 /nfs/dbraw/zinc/25/10/91/131251091.db2.gz KIJBQRGQLLBCIA-SJCJKPOMSA-N 1 0 320.408 2.793 20 10 DFCDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000287178830 131267228 /nfs/dbraw/zinc/26/72/28/131267228.db2.gz VCDZQRAGAYSXIL-UWVGGRQHSA-N 1 0 301.228 2.755 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000287214184 131268916 /nfs/dbraw/zinc/26/89/16/131268916.db2.gz XBTHMVTZRKCNMW-GHMZBOCLSA-N 1 0 317.838 2.521 20 10 DFCDRO C[C@@H](O)c1ncc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000289058574 131355313 /nfs/dbraw/zinc/35/53/13/131355313.db2.gz BUBMBNVMENTUAS-SNVBAGLBSA-N 1 0 309.410 2.691 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1 ZINC000292854039 131683159 /nfs/dbraw/zinc/68/31/59/131683159.db2.gz UNIFVLLJSLPKQJ-UHFFFAOYSA-N 1 0 312.417 2.689 20 10 DFCDRO O=C(NCCC[NH2+][C@H]1CCc2cccc(O)c21)c1cccs1 ZINC000296800071 131987817 /nfs/dbraw/zinc/98/78/17/131987817.db2.gz LLPJGWJQAQJFHW-ZDUSSCGKSA-N 1 0 316.426 2.851 20 10 DFCDRO COc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)c(OC)n1 ZINC000297410769 132014296 /nfs/dbraw/zinc/01/42/96/132014296.db2.gz TWZJTWZUTFTPQW-ZDUSSCGKSA-N 1 0 300.358 2.582 20 10 DFCDRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297542487 132021986 /nfs/dbraw/zinc/02/19/86/132021986.db2.gz FDXUALKDZMYQGG-DLBZAZTESA-N 1 0 324.424 2.669 20 10 DFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccccc2O)C1 ZINC000299491249 132107773 /nfs/dbraw/zinc/10/77/73/132107773.db2.gz JOFRJGLSSGIBRJ-HUUCEWRRSA-N 1 0 319.449 2.559 20 10 DFCDRO CC(C)[C@H](CCO)[NH2+]Cc1cc(Br)ccc1O ZINC000230689638 542892591 /nfs/dbraw/zinc/89/25/91/542892591.db2.gz IMKXDHKWLUAIDO-LBPRGKRZSA-N 1 0 302.212 2.651 20 10 DFCDRO CCC[C@@H](CCO)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000230934942 542893433 /nfs/dbraw/zinc/89/34/33/542893433.db2.gz QQYSRYBIXWOMMM-NSHDSACASA-N 1 0 301.814 2.943 20 10 DFCDRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cc(Cl)ccc1O ZINC000185115980 287024040 /nfs/dbraw/zinc/02/40/40/287024040.db2.gz GOTPLDKTCRDECI-GFCCVEGCSA-N 1 0 312.841 2.543 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000066702855 425906011 /nfs/dbraw/zinc/90/60/11/425906011.db2.gz RZWXCUHVNNIHGA-UHFFFAOYSA-N 1 0 319.449 2.798 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)cc1 ZINC000155547016 425920682 /nfs/dbraw/zinc/92/06/82/425920682.db2.gz UBINNGPPOIZFGN-SFHVURJKSA-N 1 0 317.477 2.881 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c(O)c1 ZINC000155605735 425921670 /nfs/dbraw/zinc/92/16/70/425921670.db2.gz VENBVSDQDNZTMK-OAHLLOKOSA-N 1 0 320.433 2.529 20 10 DFCDRO CCC[N@H+](CC(=O)N1CCC(C)CC1)Cc1ccccc1O ZINC000069009989 425927264 /nfs/dbraw/zinc/92/72/64/425927264.db2.gz ZUPWFBNHBOZELZ-UHFFFAOYSA-N 1 0 304.434 2.863 20 10 DFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000007114522 425636251 /nfs/dbraw/zinc/63/62/51/425636251.db2.gz WLWQSLYYGDEGMY-OAHLLOKOSA-N 1 0 311.429 2.720 20 10 DFCDRO C[C@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccccc1O ZINC000109769208 426033368 /nfs/dbraw/zinc/03/33/68/426033368.db2.gz BUKYYFTYEDAKCK-GFCCVEGCSA-N 1 0 304.415 2.590 20 10 DFCDRO CCOCCN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000111164863 426037325 /nfs/dbraw/zinc/03/73/25/426037325.db2.gz WHHDBOLKPQIRLI-UHFFFAOYSA-N 1 0 314.429 2.700 20 10 DFCDRO CCn1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000112097557 426065027 /nfs/dbraw/zinc/06/50/27/426065027.db2.gz KNYQQPLBHSAOTM-OAHLLOKOSA-N 1 0 314.433 2.590 20 10 DFCDRO CN(c1ccc(CNC(=O)CCC[NH3+])cc1)C1CCCCC1 ZINC000166472770 426127029 /nfs/dbraw/zinc/12/70/29/426127029.db2.gz ASDDDEJNPGQLKQ-UHFFFAOYSA-N 1 0 303.450 2.811 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)c2ccsc2)cc1F ZINC000077460930 426134501 /nfs/dbraw/zinc/13/45/01/426134501.db2.gz BBBFQADJHDUCPA-INIZCTEOSA-N 1 0 308.422 2.951 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)c2ccccc2)cc1F ZINC000114508372 426139180 /nfs/dbraw/zinc/13/91/80/426139180.db2.gz MYCHEDKDJNQLBI-SFHVURJKSA-N 1 0 302.393 2.889 20 10 DFCDRO C[C@H]([NH2+]CCc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000133446026 426178145 /nfs/dbraw/zinc/17/81/45/426178145.db2.gz HVKFTXXDRNHHBU-INIZCTEOSA-N 1 0 311.429 2.812 20 10 DFCDRO COc1ccc(N2CC[NH+](CCCCCCO)CC2)cc1F ZINC000084866972 426246295 /nfs/dbraw/zinc/24/62/95/426246295.db2.gz MHCTXXKHPYGWFI-UHFFFAOYSA-N 1 0 310.413 2.509 20 10 DFCDRO CC[C@@H]([NH2+]CC[C@H](C)O)c1cc(Br)ccc1O ZINC000085981945 426255352 /nfs/dbraw/zinc/25/53/52/426255352.db2.gz NCWOTFGSODOGFL-JOYOIKCWSA-N 1 0 302.212 2.966 20 10 DFCDRO CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000151295421 426288670 /nfs/dbraw/zinc/28/86/70/426288670.db2.gz PPOJMIQTLCGMOT-OALUTQOASA-N 1 0 319.493 2.640 20 10 DFCDRO Oc1ccc2ccccc2c1C[NH+]1CCN(c2cnccn2)CC1 ZINC000119618699 426299654 /nfs/dbraw/zinc/29/96/54/426299654.db2.gz VBJQFZAXVPWLOH-UHFFFAOYSA-N 1 0 320.396 2.658 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)CS(=O)(=O)CC)cc1 ZINC000089638293 426300186 /nfs/dbraw/zinc/30/01/86/426300186.db2.gz TVFGPJAZDURHTF-KBPBESRZSA-N 1 0 312.479 2.617 20 10 DFCDRO Cn1cc(C[N@H+](C)Cc2cc(Br)ccc2O)cn1 ZINC000119659794 426301310 /nfs/dbraw/zinc/30/13/10/426301310.db2.gz NGJOBDBJHVUKKQ-UHFFFAOYSA-N 1 0 310.195 2.520 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000089726465 426304248 /nfs/dbraw/zinc/30/42/48/426304248.db2.gz LVRZSMJFLMZWBI-YTEVENLXSA-N 1 0 319.426 2.989 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000089728994 426304762 /nfs/dbraw/zinc/30/47/62/426304762.db2.gz XGQSWJBZYWGSFF-SJORKVTESA-N 1 0 303.450 2.803 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000121270985 426330457 /nfs/dbraw/zinc/33/04/57/426330457.db2.gz NZUPOLAZZWBOMI-CYBMUJFWSA-N 1 0 301.390 2.894 20 10 DFCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(C)(C)O1 ZINC000151073479 426276389 /nfs/dbraw/zinc/27/63/89/426276389.db2.gz HKLCHVZWWHURFQ-QGZVFWFLSA-N 1 0 318.461 2.959 20 10 DFCDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000122790202 426394339 /nfs/dbraw/zinc/39/43/39/426394339.db2.gz UQNSAKQMPCKELO-YCRPNKLZSA-N 1 0 308.491 2.924 20 10 DFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000093150291 426354261 /nfs/dbraw/zinc/35/42/61/426354261.db2.gz FGJNBPPPDBAPNZ-UHFFFAOYSA-N 1 0 318.808 2.548 20 10 DFCDRO CCOc1cccc(C[N@H+](CC(=O)OC)C2CCCC2)c1O ZINC000093707426 426357569 /nfs/dbraw/zinc/35/75/69/426357569.db2.gz LHAZTUHMKRCAEP-UHFFFAOYSA-N 1 0 307.390 2.709 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCn2cccn2)c1O ZINC000177160179 426448901 /nfs/dbraw/zinc/44/89/01/426448901.db2.gz XMJAKTAUTXDDPC-UHFFFAOYSA-N 1 0 307.781 2.577 20 10 DFCDRO Cc1cccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154937719 426459989 /nfs/dbraw/zinc/45/99/89/426459989.db2.gz LUSVTWOHRZOPGW-MRXNPFEDSA-N 1 0 319.426 2.576 20 10 DFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cnn(C)c1 ZINC000155313244 426469233 /nfs/dbraw/zinc/46/92/33/426469233.db2.gz CRGVHCUKJXRJHK-GJZGRUSLSA-N 1 0 314.433 2.669 20 10 DFCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000195194790 426506691 /nfs/dbraw/zinc/50/66/91/426506691.db2.gz WXVFOKORXSBIQB-GOSISDBHSA-N 1 0 321.417 2.812 20 10 DFCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280186912 426517471 /nfs/dbraw/zinc/51/74/71/426517471.db2.gz HCMKSQUANVZCSD-MRXNPFEDSA-N 1 0 311.809 2.816 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000177876207 426533220 /nfs/dbraw/zinc/53/32/20/426533220.db2.gz WEGBWPIMMCWHHM-CRAIPNDOSA-N 1 0 315.461 2.996 20 10 DFCDRO C[C@@H]([NH2+]CC1(C)OCCO1)c1cc(Br)ccc1O ZINC000186211402 426493949 /nfs/dbraw/zinc/49/39/49/426493949.db2.gz OQYFQUMBWAQYMG-SECBINFHSA-N 1 0 316.195 2.568 20 10 DFCDRO CCCN(Cc1ccc(C(=O)NC)cc1)c1ccc(C[NH3+])cc1 ZINC000194977534 426496582 /nfs/dbraw/zinc/49/65/82/426496582.db2.gz SNOACOIFGFQYQC-UHFFFAOYSA-N 1 0 311.429 2.922 20 10 DFCDRO CCCN(Cc1ccc(C(=O)OC)o1)c1ccc(C[NH3+])cc1 ZINC000194980099 426496991 /nfs/dbraw/zinc/49/69/91/426496991.db2.gz WPNHVXULPVAVOZ-UHFFFAOYSA-N 1 0 302.374 2.942 20 10 DFCDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280092920 426502858 /nfs/dbraw/zinc/50/28/58/426502858.db2.gz AVDXHTDEFUTMEO-LLVKDONJSA-N 1 0 304.356 2.974 20 10 DFCDRO CC[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(C)cc1O ZINC000280101583 426503123 /nfs/dbraw/zinc/50/31/23/426503123.db2.gz NDOPRFHEJPAEAT-INIZCTEOSA-N 1 0 306.450 2.852 20 10 DFCDRO CC[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(C)cc1O ZINC000280026717 426504050 /nfs/dbraw/zinc/50/40/50/426504050.db2.gz HTUZQSHMVRLFLX-AWEZNQCLSA-N 1 0 302.374 2.764 20 10 DFCDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000224065887 426592056 /nfs/dbraw/zinc/59/20/56/426592056.db2.gz HFFMYSQIBUXALW-CQSZACIVSA-N 1 0 306.406 2.881 20 10 DFCDRO COCCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000178241901 426592751 /nfs/dbraw/zinc/59/27/51/426592751.db2.gz YGCOZYYAEXGOFM-CQSZACIVSA-N 1 0 310.413 2.567 20 10 DFCDRO C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178292427 426600076 /nfs/dbraw/zinc/60/00/76/426600076.db2.gz ZNLBLNBNLWQUQU-CQSZACIVSA-N 1 0 321.440 2.945 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)CN2CCCC2=O)cc1 ZINC000178491737 426641160 /nfs/dbraw/zinc/64/11/60/426641160.db2.gz JWTVOGKTPNPCPQ-GJZGRUSLSA-N 1 0 303.450 2.804 20 10 DFCDRO COCCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000178538418 426651118 /nfs/dbraw/zinc/65/11/18/426651118.db2.gz SPHSQALNTDPCCV-MRXNPFEDSA-N 1 0 320.477 2.800 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289897875 426677012 /nfs/dbraw/zinc/67/70/12/426677012.db2.gz WRFPQRLLDVYBOL-OLZOCXBDSA-N 1 0 303.324 2.693 20 10 DFCDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000289992625 426679540 /nfs/dbraw/zinc/67/95/40/426679540.db2.gz CHZAJEGEFWYKEY-HNNXBMFYSA-N 1 0 306.406 2.720 20 10 DFCDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000289992629 426679756 /nfs/dbraw/zinc/67/97/56/426679756.db2.gz CHZAJEGEFWYKEY-OAHLLOKOSA-N 1 0 306.406 2.720 20 10 DFCDRO Cc1cccc(C[N@H+](C)CCn2cc(Br)cn2)c1O ZINC000290195257 426714562 /nfs/dbraw/zinc/71/45/62/426714562.db2.gz PAXLPSIKXSRXSJ-UHFFFAOYSA-N 1 0 324.222 2.792 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC)c1O ZINC000290226097 426720932 /nfs/dbraw/zinc/72/09/32/426720932.db2.gz SGZYLPWUJNVIQJ-CQSZACIVSA-N 1 0 322.405 2.501 20 10 DFCDRO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1-c1ccccn1 ZINC000237860041 426696379 /nfs/dbraw/zinc/69/63/79/426696379.db2.gz WGVGOVDBCOUNQM-XYPWUTKMSA-N 1 0 324.428 2.502 20 10 DFCDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000281027555 426700599 /nfs/dbraw/zinc/70/05/99/426700599.db2.gz ZWGXJGRIZAXMQY-IAOVAPTHSA-N 1 0 319.445 2.567 20 10 DFCDRO O=C(CCC1CC[NH2+]CC1)NCc1ccc(N2CCCC2)cc1 ZINC000179247410 426772442 /nfs/dbraw/zinc/77/24/42/426772442.db2.gz HAXADQPHFVBQQI-UHFFFAOYSA-N 1 0 315.461 2.683 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000179247422 426774096 /nfs/dbraw/zinc/77/40/96/426774096.db2.gz RIYLTCQOESKXOK-UHFFFAOYSA-N 1 0 317.477 2.929 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CCS[C@@H]3CCCC[C@H]31)OCO2 ZINC000245901813 426781064 /nfs/dbraw/zinc/78/10/64/426781064.db2.gz SNTOVOZJLJFOFC-MLGOLLRUSA-N 1 0 307.415 2.981 20 10 DFCDRO [O-]c1c(F)cccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281890932 426786180 /nfs/dbraw/zinc/78/61/80/426786180.db2.gz YDBPLRWQUKSUHU-GDBMZVCRSA-N 1 0 305.324 2.978 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 ZINC000281670638 426740550 /nfs/dbraw/zinc/74/05/50/426740550.db2.gz DHZNRATZMWKJFC-WBVHZDCISA-N 1 0 317.360 2.848 20 10 DFCDRO Cc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000179096808 426749350 /nfs/dbraw/zinc/74/93/50/426749350.db2.gz YLVIEMJLNBXBKC-INIZCTEOSA-N 1 0 315.392 2.667 20 10 DFCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c1 ZINC000179572108 426802001 /nfs/dbraw/zinc/80/20/01/426802001.db2.gz USFJKYXLGYUAJG-OAHLLOKOSA-N 1 0 315.369 2.673 20 10 DFCDRO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000179575986 426802940 /nfs/dbraw/zinc/80/29/40/426802940.db2.gz PFBSOOLDWMEWGO-GFCCVEGCSA-N 1 0 320.216 2.672 20 10 DFCDRO COCC[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000282145224 426836955 /nfs/dbraw/zinc/83/69/55/426836955.db2.gz HIILPRMRLQMIBC-KRWDZBQOSA-N 1 0 301.386 2.546 20 10 DFCDRO Cc1cccc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC000295177790 426851915 /nfs/dbraw/zinc/85/19/15/426851915.db2.gz VEIUBOJDMMCEGO-FICVDOATSA-N 1 0 318.417 2.656 20 10 DFCDRO COCCn1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000282761570 426924419 /nfs/dbraw/zinc/92/44/19/426924419.db2.gz OHEUXSROZGAYLJ-CQSZACIVSA-N 1 0 303.406 2.703 20 10 DFCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1[C@@H]1CCCO1 ZINC000291001085 426871985 /nfs/dbraw/zinc/87/19/85/426871985.db2.gz AVKRFDLPXCENDD-XJKSGUPXSA-N 1 0 305.374 2.510 20 10 DFCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1[C@H]1CCCO1 ZINC000291001083 426872765 /nfs/dbraw/zinc/87/27/65/426872765.db2.gz AVKRFDLPXCENDD-CZUORRHYSA-N 1 0 305.374 2.510 20 10 DFCDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000282292716 426873402 /nfs/dbraw/zinc/87/34/02/426873402.db2.gz JEANFCZFBJJEEF-OAQYLSRUSA-N 1 0 306.475 2.678 20 10 DFCDRO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)c1 ZINC000291026770 426873812 /nfs/dbraw/zinc/87/38/12/426873812.db2.gz YDXMPZBARBIIDZ-OAHLLOKOSA-N 1 0 302.397 2.844 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000291393420 426882683 /nfs/dbraw/zinc/88/26/83/426882683.db2.gz CPXJILSSJXCKIM-UHFFFAOYSA-N 1 0 317.477 2.881 20 10 DFCDRO OC[C@@]1(C[NH2+]Cc2cc(F)ccc2O)C[C@H]1c1ccccc1 ZINC000291460557 426885247 /nfs/dbraw/zinc/88/52/47/426885247.db2.gz DCGQIAXUVPHICM-WMZOPIPTSA-N 1 0 301.361 2.787 20 10 DFCDRO CC[C@@H]([NH3+])CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000295271169 426887496 /nfs/dbraw/zinc/88/74/96/426887496.db2.gz SAMVXNNMGXXCJR-CQSZACIVSA-N 1 0 315.417 2.570 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(N(C)C)cc1 ZINC000283137539 426962238 /nfs/dbraw/zinc/96/22/38/426962238.db2.gz HALLEYJIJSTJHS-SJORKVTESA-N 1 0 315.461 2.995 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1O ZINC000283206410 426974313 /nfs/dbraw/zinc/97/43/13/426974313.db2.gz LTIIIOAABZBPRA-VBQJREDUSA-N 1 0 305.418 2.611 20 10 DFCDRO O=C1[C@H]([NH2+]Cc2cc(F)ccc2O)CCCN1C1CCCCC1 ZINC000276713507 427116884 /nfs/dbraw/zinc/11/68/84/427116884.db2.gz HABFVVPXHKRTNZ-MRXNPFEDSA-N 1 0 320.408 2.945 20 10 DFCDRO O=C1[C@@H]([NH2+]Cc2cc(F)ccc2O)CCCN1C1CCCCC1 ZINC000276713503 427118523 /nfs/dbraw/zinc/11/85/23/427118523.db2.gz HABFVVPXHKRTNZ-INIZCTEOSA-N 1 0 320.408 2.945 20 10 DFCDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268840301 427135263 /nfs/dbraw/zinc/13/52/63/427135263.db2.gz NABOTVDTWNXJBI-HOCLYGCPSA-N 1 0 324.440 2.720 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)cc1 ZINC000268954335 427137356 /nfs/dbraw/zinc/13/73/56/427137356.db2.gz WHJFKZRRNIGDOA-CQSZACIVSA-N 1 0 303.450 2.839 20 10 DFCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268871823 427139218 /nfs/dbraw/zinc/13/92/18/427139218.db2.gz HRZQCAVNEYYQEF-DZKIICNBSA-N 1 0 322.424 2.738 20 10 DFCDRO CCC[NH+](CCC)CCCC(=O)NCCc1ccc(N)cc1 ZINC000269149241 427149726 /nfs/dbraw/zinc/14/97/26/427149726.db2.gz LTCNVYCIVSRWHC-UHFFFAOYSA-N 1 0 305.466 2.830 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000269172625 427152374 /nfs/dbraw/zinc/15/23/74/427152374.db2.gz AJFQMRGBODXUPX-SCLBCKFNSA-N 1 0 311.429 2.903 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000269353188 427177716 /nfs/dbraw/zinc/17/77/16/427177716.db2.gz OESLTJLEZDGVEZ-SFHVURJKSA-N 1 0 303.450 2.539 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1)OCO2 ZINC000277376619 427184315 /nfs/dbraw/zinc/18/43/15/427184315.db2.gz AULVQYHJPQGXGR-SECBINFHSA-N 1 0 303.280 2.895 20 10 DFCDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000292626783 427195015 /nfs/dbraw/zinc/19/50/15/427195015.db2.gz JFTMBKCUMBRHON-ZDUSSCGKSA-N 1 0 309.429 2.534 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1O ZINC000293094709 427212906 /nfs/dbraw/zinc/21/29/06/427212906.db2.gz PVPPPLHJSKVMFV-INIZCTEOSA-N 1 0 309.381 2.621 20 10 DFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccccc1O ZINC000183498061 427281741 /nfs/dbraw/zinc/28/17/41/427281741.db2.gz FFZJNQZDQCDMEF-NWDGAFQWSA-N 1 0 323.339 2.761 20 10 DFCDRO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccccc1O)CC2 ZINC000183654167 427311432 /nfs/dbraw/zinc/31/14/32/427311432.db2.gz LFOGSZXXQASFAO-OLZOCXBDSA-N 1 0 300.406 2.773 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000278132381 427413663 /nfs/dbraw/zinc/41/36/63/427413663.db2.gz CIPDADJDNMCJNT-RISCZKNCSA-N 1 0 324.396 2.876 20 10 DFCDRO CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293530470 427354316 /nfs/dbraw/zinc/35/43/16/427354316.db2.gz DWSWTXBJAKTUMB-LBPRGKRZSA-N 1 0 318.820 2.631 20 10 DFCDRO COc1cccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1O ZINC000271201404 427447982 /nfs/dbraw/zinc/44/79/82/427447982.db2.gz XBEOMRYRMVJKKB-CYBMUJFWSA-N 1 0 307.390 2.707 20 10 DFCDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000278727178 427448700 /nfs/dbraw/zinc/44/87/00/427448700.db2.gz LDBKNSQQENXAPH-OAHLLOKOSA-N 1 0 314.429 2.698 20 10 DFCDRO CC(C)n1cnnc1CN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293857077 427465549 /nfs/dbraw/zinc/46/55/49/427465549.db2.gz IBKDQYATPUDBCX-UHFFFAOYSA-N 1 0 312.776 2.989 20 10 DFCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc2ccccc2c1O ZINC000278845502 427472318 /nfs/dbraw/zinc/47/23/18/427472318.db2.gz PZIQYDMIKZUEPW-JCGVRSQUSA-N 1 0 301.386 2.736 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CCS[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278166035 427423923 /nfs/dbraw/zinc/42/39/23/427423923.db2.gz FEXZGDJMBXNNAX-VHSXEESVSA-N 1 0 312.391 2.635 20 10 DFCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000293756565 427427376 /nfs/dbraw/zinc/42/73/76/427427376.db2.gz QVTIPKNJPDABPR-QWHCGFSZSA-N 1 0 308.422 2.604 20 10 DFCDRO COc1c([O-])c(C[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000278240856 427428020 /nfs/dbraw/zinc/42/80/20/427428020.db2.gz NXAGWMMSGKMAGV-UHFFFAOYSA-N 1 0 320.370 2.929 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ccccn3)C2)c1O ZINC000271166366 427429229 /nfs/dbraw/zinc/42/92/29/427429229.db2.gz CDBHNDGAAKFRGE-OAHLLOKOSA-N 1 0 314.385 2.839 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1O ZINC000271170801 427432417 /nfs/dbraw/zinc/43/24/17/427432417.db2.gz FAPOKCGOEDLCPO-YJBOKZPZSA-N 1 0 305.418 2.918 20 10 DFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCSC1 ZINC000278408081 427433887 /nfs/dbraw/zinc/43/38/87/427433887.db2.gz GRNMMYSNPUAZRV-INIZCTEOSA-N 1 0 306.475 2.708 20 10 DFCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409698 427434602 /nfs/dbraw/zinc/43/46/02/427434602.db2.gz FEKIJWCOSKYNHB-DLBZAZTESA-N 1 0 319.493 2.904 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c1 ZINC000271183597 427436574 /nfs/dbraw/zinc/43/65/74/427436574.db2.gz LINJAQOYBBYDLF-INIZCTEOSA-N 1 0 314.385 2.839 20 10 DFCDRO COCC(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293793219 427437971 /nfs/dbraw/zinc/43/79/71/427437971.db2.gz UNOCSZFDCWBDRA-CQSZACIVSA-N 1 0 324.440 2.986 20 10 DFCDRO CCCN(Cc1c[nH]c(C(=O)OC)c1)c1ccc(C[NH3+])cc1 ZINC000278418093 427438778 /nfs/dbraw/zinc/43/87/78/427438778.db2.gz RDMUICAGDWVLDQ-UHFFFAOYSA-N 1 0 301.390 2.677 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(C3(C)OCCO3)CC2)c1O ZINC000271191744 427442909 /nfs/dbraw/zinc/44/29/09/427442909.db2.gz QANLHRXSEUMDCZ-UHFFFAOYSA-N 1 0 321.417 2.766 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1)c1cc(F)ccc1O ZINC000278938137 427508017 /nfs/dbraw/zinc/50/80/17/427508017.db2.gz JZAPTYOYSYIMST-XTQGRXLLSA-N 1 0 319.380 2.836 20 10 DFCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1O ZINC000184701107 427522023 /nfs/dbraw/zinc/52/20/23/427522023.db2.gz RVXPWEQOTGBJHE-ZDUSSCGKSA-N 1 0 301.814 2.893 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c1 ZINC000279004374 427527232 /nfs/dbraw/zinc/52/72/32/427527232.db2.gz RYPIXGRFMZCPBL-STQMWFEESA-N 1 0 301.390 2.511 20 10 DFCDRO C[C@]([NH3+])(C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000192520063 427556076 /nfs/dbraw/zinc/55/60/76/427556076.db2.gz FKGGXDQBLKGFFN-HXUWFJFHSA-N 1 0 323.440 2.777 20 10 DFCDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184896200 427559881 /nfs/dbraw/zinc/55/98/81/427559881.db2.gz BCRDVHBXTXVHFH-QMMMGPOBSA-N 1 0 305.205 2.874 20 10 DFCDRO CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)N1CCOCC1 ZINC000184915930 427564205 /nfs/dbraw/zinc/56/42/05/427564205.db2.gz OWMLXCBOXRKMKG-CJNGLKHVSA-N 1 0 310.413 2.539 20 10 DFCDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000279128875 427567393 /nfs/dbraw/zinc/56/73/93/427567393.db2.gz QTXFKDWOOYGKAH-NXEZZACHSA-N 1 0 302.212 2.966 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cn3ccccc3n2)c1 ZINC000184969591 427572084 /nfs/dbraw/zinc/57/20/84/427572084.db2.gz IBZZENRFRZQINH-ZDUSSCGKSA-N 1 0 311.385 2.942 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1OC ZINC000271765126 427582981 /nfs/dbraw/zinc/58/29/81/427582981.db2.gz AHCDVGBJJUOMNL-ZFWWWQNUSA-N 1 0 309.406 2.703 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000271771981 427585951 /nfs/dbraw/zinc/58/59/51/427585951.db2.gz DJJKQTCMKAQFAG-APPDUMDISA-N 1 0 305.349 2.924 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1O ZINC000271873146 427591830 /nfs/dbraw/zinc/59/18/30/427591830.db2.gz YMBCKVQFABSRCZ-GHMZBOCLSA-N 1 0 314.223 2.978 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccccc2OC)c1 ZINC000185097694 427594669 /nfs/dbraw/zinc/59/46/69/427594669.db2.gz OOSIRJQFDGPZKR-SJCJKPOMSA-N 1 0 317.385 2.794 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000192918426 427636290 /nfs/dbraw/zinc/63/62/90/427636290.db2.gz HDZKZSNXHAJGLN-LLVKDONJSA-N 1 0 301.342 2.980 20 10 DFCDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185419964 427647262 /nfs/dbraw/zinc/64/72/62/427647262.db2.gz DDQHJVCQGPJVKQ-DIFFPNOSSA-N 1 0 305.349 2.924 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1 ZINC000294768186 427657273 /nfs/dbraw/zinc/65/72/73/427657273.db2.gz JWEKBYHNLFPIOH-INIZCTEOSA-N 1 0 317.477 2.866 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc2c(cc1O)CCCC2 ZINC000185502697 427663575 /nfs/dbraw/zinc/66/35/75/427663575.db2.gz FVTWFQNSOJRBHE-SWLSCSKDSA-N 1 0 302.418 2.542 20 10 DFCDRO COc1ccc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)cc1C ZINC000295041878 427668955 /nfs/dbraw/zinc/66/89/55/427668955.db2.gz OTLMPARBMUYVGF-UHFFFAOYSA-N 1 0 304.434 2.884 20 10 DFCDRO CN(C)c1ccc(C[N@H+](CC(=O)N2CCCCC2)C2CC2)cc1 ZINC000298715693 427684061 /nfs/dbraw/zinc/68/40/61/427684061.db2.gz LYBQDHXVUOBWRP-UHFFFAOYSA-N 1 0 315.461 2.730 20 10 DFCDRO CC(C)COC[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298723258 427686536 /nfs/dbraw/zinc/68/65/36/427686536.db2.gz LVWMWOAZYBZHGJ-LJQANCHMSA-N 1 0 320.477 2.751 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1 ZINC000279619378 427713230 /nfs/dbraw/zinc/71/32/30/427713230.db2.gz GPPNZEDMEUJZOL-QFBILLFUSA-N 1 0 318.461 2.913 20 10 DFCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000185830139 427714107 /nfs/dbraw/zinc/71/41/07/427714107.db2.gz WYNFZCGVNYTLSB-JDGPPOGSSA-N 1 0 300.196 2.571 20 10 DFCDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000279673909 427716238 /nfs/dbraw/zinc/71/62/38/427716238.db2.gz IBUPRPWMJHZKDF-CYBMUJFWSA-N 1 0 310.825 2.702 20 10 DFCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3nnc[nH]3)CC2)c1O ZINC000359961128 428094611 /nfs/dbraw/zinc/09/46/11/428094611.db2.gz RAWNFTJLNSAUPC-UHFFFAOYSA-N 1 0 322.796 2.552 20 10 DFCDRO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000370073881 428128971 /nfs/dbraw/zinc/12/89/71/428128971.db2.gz ROWUJXJOANKPKT-GFCCVEGCSA-N 1 0 304.369 2.522 20 10 DFCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000370705767 428278979 /nfs/dbraw/zinc/27/89/79/428278979.db2.gz JALHWFQSNJOOIH-GOSISDBHSA-N 1 0 304.434 2.524 20 10 DFCDRO COc1ccc(O)c(CN2CCC([N@@H+]3CCC[C@H]3C)CC2)c1 ZINC000371419582 428389488 /nfs/dbraw/zinc/38/94/88/428389488.db2.gz VJIMVBSLVJSTSI-CQSZACIVSA-N 1 0 304.434 2.850 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC000371417537 428390160 /nfs/dbraw/zinc/39/01/60/428390160.db2.gz LBZCQLZZDISOMQ-OAHLLOKOSA-N 1 0 322.836 2.845 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(CN3CCCC3=O)CC2)c1 ZINC000371331954 428382399 /nfs/dbraw/zinc/38/23/99/428382399.db2.gz LZZLMSHNIQLTLS-UHFFFAOYSA-N 1 0 302.418 2.535 20 10 DFCDRO OC[C@H]1CCCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000372399946 428440844 /nfs/dbraw/zinc/44/08/44/428440844.db2.gz YTQZDOKHQPYDLN-NSHDSACASA-N 1 0 314.223 2.749 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCN2C)c1O ZINC000372417904 428445691 /nfs/dbraw/zinc/44/56/91/428445691.db2.gz YZZSDAVUYBBFOJ-HOTGVXAUSA-N 1 0 304.434 2.850 20 10 DFCDRO Cc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c(C)n1-c1ccccn1 ZINC000372435340 428446806 /nfs/dbraw/zinc/44/68/06/428446806.db2.gz DRDVMCRZEFGWKK-MUJYYYPQSA-N 1 0 324.428 2.583 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](OCC3CC3)C1)OCO2 ZINC000372491899 428455644 /nfs/dbraw/zinc/45/56/44/428455644.db2.gz PXECQUYGLLPDEL-CQSZACIVSA-N 1 0 305.374 2.512 20 10 DFCDRO O=C(Nc1nccs1)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000372972474 428508251 /nfs/dbraw/zinc/50/82/51/428508251.db2.gz HJQCIHVQGBBVGF-ZDUSSCGKSA-N 1 0 317.414 2.699 20 10 DFCDRO COc1cc(Cl)cc(CN2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000372969825 428508570 /nfs/dbraw/zinc/50/85/70/428508570.db2.gz OPAOPRBXRWZCMO-AWEZNQCLSA-N 1 0 312.841 2.970 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccccc3)C1)OCO2 ZINC000361524284 428573244 /nfs/dbraw/zinc/57/32/44/428573244.db2.gz BXGIAAFKQSWMKV-OAHLLOKOSA-N 1 0 313.353 2.774 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC000374269988 428672083 /nfs/dbraw/zinc/67/20/83/428672083.db2.gz PDTDHXYDBBJJGZ-CRAIPNDOSA-N 1 0 321.417 2.609 20 10 DFCDRO O=C1C[C@H]([NH2+]Cc2ccccc2O)CN1c1ccccc1Cl ZINC000363618012 428954524 /nfs/dbraw/zinc/95/45/24/428954524.db2.gz NGGSGOVVCNEWJG-ZDUSSCGKSA-N 1 0 316.788 2.941 20 10 DFCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)C2 ZINC000363854789 429000350 /nfs/dbraw/zinc/00/03/50/429000350.db2.gz ADVIEVZWWLQCIP-YGRLFVJLSA-N 1 0 301.365 2.838 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccccc1O ZINC000376521502 429128390 /nfs/dbraw/zinc/12/83/90/429128390.db2.gz RXNILGKBMWNDCU-JKSUJKDBSA-N 1 0 315.417 2.699 20 10 DFCDRO C[C@@H]1COCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000376582680 429142436 /nfs/dbraw/zinc/14/24/36/429142436.db2.gz VHLYZJJCUYFNDK-JTQLQIEISA-N 1 0 300.196 2.623 20 10 DFCDRO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179561899 275015002 /nfs/dbraw/zinc/01/50/02/275015002.db2.gz TTXKMCLPTMXQAG-UHFFFAOYSA-N 1 0 316.426 2.802 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1OC ZINC000364478353 429210886 /nfs/dbraw/zinc/21/08/86/429210886.db2.gz USDTVOSZECKJOZ-HNNXBMFYSA-N 1 0 321.417 2.800 20 10 DFCDRO Cc1cccc2ncc(C[NH2+]Cc3ccc4c(c3)CCN4C)n21 ZINC000364443274 429204544 /nfs/dbraw/zinc/20/45/44/429204544.db2.gz JXHMZTBMYPLHIH-UHFFFAOYSA-N 1 0 306.413 2.925 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H]3CCOC3)CC2)c1O ZINC000364663509 429245613 /nfs/dbraw/zinc/24/56/13/429245613.db2.gz VYDOKPSFAMLUTC-AWEZNQCLSA-N 1 0 321.392 2.982 20 10 DFCDRO CN1CCc2cc(CNc3cc(N4CCCC4)ncn3)ccc21 ZINC000365451360 429320340 /nfs/dbraw/zinc/32/03/40/429320340.db2.gz OAIUMSYNHOQHMS-UHFFFAOYSA-N 1 0 309.417 2.681 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000365524455 429335538 /nfs/dbraw/zinc/33/55/38/429335538.db2.gz ANBZNZZTVALIOT-HOCLYGCPSA-N 1 0 316.405 2.528 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCCNC2=O)cc1 ZINC000365540799 429337973 /nfs/dbraw/zinc/33/79/73/429337973.db2.gz SFYOAMJVBXYWBO-KRWDZBQOSA-N 1 0 303.450 2.633 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(C)n1-c1ccccc1 ZINC000365326076 429300971 /nfs/dbraw/zinc/30/09/71/429300971.db2.gz LMMLDPOGIVFUBK-LPHOPBHVSA-N 1 0 323.440 2.918 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000367307230 429616299 /nfs/dbraw/zinc/61/62/99/429616299.db2.gz GAAZRUWWIFFDLJ-INIZCTEOSA-N 1 0 302.418 2.788 20 10 DFCDRO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)C1CCC1 ZINC000367421363 429644344 /nfs/dbraw/zinc/64/43/44/429644344.db2.gz AVCQDYMOGZPSRH-UHFFFAOYSA-N 1 0 322.836 2.926 20 10 DFCDRO CCCC(=O)N1CCC[N@H+](Cc2cc(OCC)ccc2O)CC1 ZINC000367466996 429654623 /nfs/dbraw/zinc/65/46/23/429654623.db2.gz GHZGBZPEIJXKPN-UHFFFAOYSA-N 1 0 320.433 2.625 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(Br)cc1O ZINC000367683474 429699884 /nfs/dbraw/zinc/69/98/84/429699884.db2.gz CRCJHBXJNFHVMZ-ZBPZKIAKSA-N 1 0 312.207 2.698 20 10 DFCDRO COc1ccc(CNc2cc[nH+]cc2-c2cccnc2)c(O)c1 ZINC000367813008 429721518 /nfs/dbraw/zinc/72/15/18/429721518.db2.gz LJNWJLWUMDKJSS-UHFFFAOYSA-N 1 0 307.353 2.892 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000368024777 429769937 /nfs/dbraw/zinc/76/99/37/429769937.db2.gz UUYUGMSWJJWERW-OJLVUWQFSA-N 1 0 302.418 2.962 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000368047058 429774654 /nfs/dbraw/zinc/77/46/54/429774654.db2.gz ZRBFJYXDPQUNKD-DEYYWGMASA-N 1 0 321.417 2.732 20 10 DFCDRO COc1cccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)c1O ZINC000527752639 429792698 /nfs/dbraw/zinc/79/26/98/429792698.db2.gz PTULPTODQFESPD-MRXNPFEDSA-N 1 0 304.434 2.897 20 10 DFCDRO CCn1nncc1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000527920710 429821709 /nfs/dbraw/zinc/82/17/09/429821709.db2.gz RAJBGRIHNWCZBT-LBPRGKRZSA-N 1 0 300.406 2.733 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1N1CCOCC1)c1ccccc1O ZINC000368408314 429844903 /nfs/dbraw/zinc/84/49/03/429844903.db2.gz WPGMKYFVPSZWHP-SZMVWBNQSA-N 1 0 318.461 2.934 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCN(C2CCOCC2)CC1 ZINC000368820008 429896882 /nfs/dbraw/zinc/89/68/82/429896882.db2.gz ZYGHHOFPICDMHD-KRWDZBQOSA-N 1 0 304.434 2.640 20 10 DFCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1C ZINC000369082048 429910916 /nfs/dbraw/zinc/91/09/16/429910916.db2.gz DDXVTVAWGNKPLQ-CRAIPNDOSA-N 1 0 305.418 2.779 20 10 DFCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000154777994 277241182 /nfs/dbraw/zinc/24/11/82/277241182.db2.gz AHYDDMIVTIXCEV-SFHVURJKSA-N 1 0 315.461 2.777 20 10 DFCDRO COc1cccc(CN2CCC[C@H]2C[NH+]2CCCCC2)c1O ZINC000092219017 278010540 /nfs/dbraw/zinc/01/05/40/278010540.db2.gz DFGFRKQJVGWXIR-INIZCTEOSA-N 1 0 304.434 2.851 20 10 DFCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000134136255 288059887 /nfs/dbraw/zinc/05/98/87/288059887.db2.gz CSAKOGWGNRQQQZ-FCEWJHQRSA-N 1 0 319.493 2.903 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000278633947 279543698 /nfs/dbraw/zinc/54/36/98/279543698.db2.gz SAQNUCWQMQQGMW-MPGHIAIKSA-N 1 0 304.434 2.599 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000153231488 280188721 /nfs/dbraw/zinc/18/87/21/280188721.db2.gz MBQVXMDLPTWTIB-VQIMIIECSA-N 1 0 319.493 2.762 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@H]2CCN2C2CCCC2)c1O ZINC000527805740 300693972 /nfs/dbraw/zinc/69/39/72/300693972.db2.gz HKVCKPCFPDLGIC-MRXNPFEDSA-N 1 0 304.434 2.897 20 10 DFCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000122952859 332416410 /nfs/dbraw/zinc/41/64/10/332416410.db2.gz PCEXYEGAZHTLCM-OAHLLOKOSA-N 1 0 317.477 2.806 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)cc1 ZINC000293604446 335110302 /nfs/dbraw/zinc/11/03/02/335110302.db2.gz JNEOGYXSJFQZFU-GOSISDBHSA-N 1 0 313.445 2.997 20 10 DFCDRO CN1C[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1=O ZINC000293758188 335113093 /nfs/dbraw/zinc/11/30/93/335113093.db2.gz OSGZLBXIRZQGEY-FUHWJXTLSA-N 1 0 324.424 2.886 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1([NH3+])CCC1 ZINC000294892572 332733867 /nfs/dbraw/zinc/73/38/67/332733867.db2.gz YOCKPAKRRSNLTJ-UHFFFAOYSA-N 1 0 301.434 2.517 20 10 DFCDRO OC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCCC1 ZINC000304218372 332996807 /nfs/dbraw/zinc/99/68/07/332996807.db2.gz HNTKRIOJQRAATF-UHFFFAOYSA-N 1 0 318.461 2.698 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c1 ZINC000182335596 333038208 /nfs/dbraw/zinc/03/82/08/333038208.db2.gz FUKFPQYSZVMHLL-LLVKDONJSA-N 1 0 310.394 2.576 20 10 DFCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000179685067 333154346 /nfs/dbraw/zinc/15/43/46/333154346.db2.gz WDDULXCQMGPONF-UHFFFAOYSA-N 1 0 324.852 2.590 20 10 DFCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H](O)C(F)F ZINC000295083830 335131977 /nfs/dbraw/zinc/13/19/77/335131977.db2.gz QSZQQDAXANZDBI-SKDRFNHKSA-N 1 0 309.740 2.548 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000190299224 333269479 /nfs/dbraw/zinc/26/94/79/333269479.db2.gz AZRKOBSNJUZSKK-HOTGVXAUSA-N 1 0 303.427 2.970 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1 ZINC000295160611 335132826 /nfs/dbraw/zinc/13/28/26/335132826.db2.gz SERPOORNKKUJQL-INIZCTEOSA-N 1 0 319.376 2.623 20 10 DFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295440672 335134866 /nfs/dbraw/zinc/13/48/66/335134866.db2.gz UNPJUSAOAKHDBY-AWEZNQCLSA-N 1 0 301.745 2.570 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C(C)(C)C3)cc2)CC1 ZINC000295863067 335140037 /nfs/dbraw/zinc/14/00/37/335140037.db2.gz CBPRFCOOTOHGEW-GOSISDBHSA-N 1 0 318.461 2.505 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c1O ZINC000296044807 335140721 /nfs/dbraw/zinc/14/07/21/335140721.db2.gz OFEQCYROOXNFHL-GFCCVEGCSA-N 1 0 324.852 2.970 20 10 DFCDRO CC[C@@H](C)[NH+]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000296032942 335140739 /nfs/dbraw/zinc/14/07/39/335140739.db2.gz PESDLXCDCTZJSU-GFCCVEGCSA-N 1 0 323.393 2.533 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)CC2 ZINC000296177045 335142336 /nfs/dbraw/zinc/14/23/36/335142336.db2.gz XXFSHTXFODMZMX-ZBFHGGJFSA-N 1 0 317.360 2.548 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000296439000 335144567 /nfs/dbraw/zinc/14/45/67/335144567.db2.gz MEFMXZFFGXXNCO-LSDHHAIUSA-N 1 0 324.440 2.722 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](CO)C3)cc2)CC1 ZINC000296566602 335146120 /nfs/dbraw/zinc/14/61/20/335146120.db2.gz QAOYJZDYYLXNJT-KRWDZBQOSA-N 1 0 318.461 2.506 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(C)cc1O ZINC000297305388 335152675 /nfs/dbraw/zinc/15/26/75/335152675.db2.gz MOUFCOGMIGWWEI-NVXWUHKLSA-N 1 0 306.450 2.588 20 10 DFCDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271377789 334022281 /nfs/dbraw/zinc/02/22/81/334022281.db2.gz RDZJJNTYAYVSPB-HNNXBMFYSA-N 1 0 310.413 2.519 20 10 DFCDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271419504 334023023 /nfs/dbraw/zinc/02/30/23/334023023.db2.gz BSSLJBUDGAZBLP-CABCVRRESA-N 1 0 324.440 2.722 20 10 DFCDRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272273964 334032665 /nfs/dbraw/zinc/03/26/65/334032665.db2.gz LTSMFZKHPVXAGV-ZDUSSCGKSA-N 1 0 324.396 2.973 20 10 DFCDRO CCn1cnnc1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273409646 334046343 /nfs/dbraw/zinc/04/63/43/334046343.db2.gz PHUOEDYCIQGYPI-GFCCVEGCSA-N 1 0 300.406 2.733 20 10 DFCDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ncnn1C ZINC000276414306 334077402 /nfs/dbraw/zinc/07/74/02/334077402.db2.gz BREDAMZYNHEQHR-SSDOTTSWSA-N 1 0 301.177 2.678 20 10 DFCDRO COc1c(O)c(C[N@H+](C)[C@@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000278515941 334097373 /nfs/dbraw/zinc/09/73/73/334097373.db2.gz QSQPTNDEAFBCSX-NSHDSACASA-N 1 0 317.345 2.897 20 10 DFCDRO CCOc1cccc(C[N@H+](C)CCCn2ccnc2C)c1O ZINC000290477793 334172991 /nfs/dbraw/zinc/17/29/91/334172991.db2.gz NWPGFKGAPFCUMW-UHFFFAOYSA-N 1 0 303.406 2.818 20 10 DFCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000167908877 336278838 /nfs/dbraw/zinc/27/88/38/336278838.db2.gz LPGXAPACLKEDSP-JKSUJKDBSA-N 1 0 324.852 2.779 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000367282083 336598191 /nfs/dbraw/zinc/59/81/91/336598191.db2.gz GNIANHXQRTXZJT-BBRMVZONSA-N 1 0 305.761 2.630 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(CN3CCCC3=O)CC2)cc1 ZINC000362382276 336794544 /nfs/dbraw/zinc/79/45/44/336794544.db2.gz RTKWTLVOUGDGJW-UHFFFAOYSA-N 1 0 315.461 2.587 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1F ZINC000371336901 336901026 /nfs/dbraw/zinc/90/10/26/336901026.db2.gz RFCRKBDHLQAVOT-UHFFFAOYSA-N 1 0 302.397 2.994 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c(O)c1 ZINC000371835314 336914315 /nfs/dbraw/zinc/91/43/15/336914315.db2.gz RZDXACKOPBYYTF-CGTJXYLNSA-N 1 0 318.461 2.995 20 10 DFCDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncs2)C1 ZINC000374137921 336982082 /nfs/dbraw/zinc/98/20/82/336982082.db2.gz KVHWTGNIQRXOPW-HSBSLETESA-N 1 0 313.426 2.676 20 10 DFCDRO C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)c1cc(Cl)ccc1O ZINC000374503479 336990864 /nfs/dbraw/zinc/99/08/64/336990864.db2.gz IWAAEDAIZMEPKU-LEWSCRJBSA-N 1 0 308.809 2.850 20 10 DFCDRO COCCn1ncc2c1[C@H]([NH2+][C@@H](C)c1ccccc1O)CCC2 ZINC000375198503 337005723 /nfs/dbraw/zinc/00/57/23/337005723.db2.gz WXESNOGDAHJSDV-XJKSGUPXSA-N 1 0 315.417 2.963 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)C[C@H](C)O)CC2)cc1 ZINC000305098563 337013205 /nfs/dbraw/zinc/01/32/05/337013205.db2.gz ABWBOKWUESAICH-GJZGRUSLSA-N 1 0 306.450 2.661 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@@]3(CO)CCc4ccccc43)ccc21 ZINC000305197582 337018308 /nfs/dbraw/zinc/01/83/08/337018308.db2.gz JIILYNHSIFPBJY-HXUWFJFHSA-N 1 0 308.425 2.603 20 10 DFCDRO Cc1cccc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1O ZINC000375742077 337018487 /nfs/dbraw/zinc/01/84/87/337018487.db2.gz LBCRFBGPTAIOHZ-UHFFFAOYSA-N 1 0 312.417 2.591 20 10 DFCDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000376041951 337025836 /nfs/dbraw/zinc/02/58/36/337025836.db2.gz JGZUZGAIAMJJQI-CQSZACIVSA-N 1 0 320.824 2.538 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)ccc21 ZINC000376904983 337043563 /nfs/dbraw/zinc/04/35/63/337043563.db2.gz SSCBJOYKYUUNAL-HIFRSBDPSA-N 1 0 314.351 2.878 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000377550889 337055139 /nfs/dbraw/zinc/05/51/39/337055139.db2.gz SLMWGYVWUVYWAB-FVQBIDKESA-N 1 0 302.418 2.834 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377742844 337059928 /nfs/dbraw/zinc/05/99/28/337059928.db2.gz HXTTUMFXWYFPOH-DLBZAZTESA-N 1 0 316.445 2.767 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000377890306 337063453 /nfs/dbraw/zinc/06/34/53/337063453.db2.gz UHOAJCVYECQBEK-OLZOCXBDSA-N 1 0 301.390 2.685 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000378336708 337070078 /nfs/dbraw/zinc/07/00/78/337070078.db2.gz XDPYLJQJYNSRKB-UHFFFAOYSA-N 1 0 316.445 2.526 20 10 DFCDRO COc1cccc(C[NH2+]Cc2nc(C)n3c2CCCC3)c1O ZINC000378393114 337071620 /nfs/dbraw/zinc/07/16/20/337071620.db2.gz GGHUUSCOEBFOAE-UHFFFAOYSA-N 1 0 301.390 2.532 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCCCC[C@@H]2C(=O)OC)c1O ZINC000360022165 337083939 /nfs/dbraw/zinc/08/39/39/337083939.db2.gz XIAXIGKFVFCOSU-CQSZACIVSA-N 1 0 307.390 2.709 20 10 DFCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1 ZINC000180640813 337176729 /nfs/dbraw/zinc/17/67/29/337176729.db2.gz TXRDUDDFHYNGMU-OAHLLOKOSA-N 1 0 301.390 2.644 20 10 DFCDRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC000183597426 337193683 /nfs/dbraw/zinc/19/36/83/337193683.db2.gz PBFXYBGNTCOXBW-STQMWFEESA-N 1 0 300.406 2.773 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)c(O)c1 ZINC000185025653 337201439 /nfs/dbraw/zinc/20/14/39/337201439.db2.gz QFFLRDBHEWULEK-CYBMUJFWSA-N 1 0 309.373 2.527 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000184955546 337201975 /nfs/dbraw/zinc/20/19/75/337201975.db2.gz AZSYYOKOPGAVMP-AWEZNQCLSA-N 1 0 314.433 2.912 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN2c2cccnn2)c1 ZINC000359961889 337441024 /nfs/dbraw/zinc/44/10/24/337441024.db2.gz UESYVALMKVAVMQ-GJZGRUSLSA-N 1 0 312.417 2.810 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)ccc21 ZINC000246674806 337554340 /nfs/dbraw/zinc/55/43/40/337554340.db2.gz LNOYCBQVMGXWMU-AEFFLSMTSA-N 1 0 318.486 2.823 20 10 DFCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCN1C1CCCCC1)OCO2 ZINC000527750306 337761421 /nfs/dbraw/zinc/76/14/21/337761421.db2.gz APEPSHIURFNRBG-HNNXBMFYSA-N 1 0 318.417 2.618 20 10 DFCDRO C[NH2+]CCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000237115746 340668125 /nfs/dbraw/zinc/66/81/25/340668125.db2.gz AJEMEBPWIFPCGG-UHFFFAOYSA-N 1 0 303.450 2.635 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529366649 340753504 /nfs/dbraw/zinc/75/35/04/340753504.db2.gz OBYHPGNRSLBSFS-INIZCTEOSA-N 1 0 317.433 2.598 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+]C[C@H]2C(C)C)c1O ZINC000530229488 340783239 /nfs/dbraw/zinc/78/32/39/340783239.db2.gz HIFUXGHSDNYFFJ-HNNXBMFYSA-N 1 0 310.825 2.678 20 10 DFCDRO CC(C)[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000269109500 341606990 /nfs/dbraw/zinc/60/69/90/341606990.db2.gz NGVLZNFCJKLGBQ-QGZVFWFLSA-N 1 0 303.450 2.619 20 10 DFCDRO O=C1C[C@@H]([NH2+]Cc2c(O)ccc3ccccc32)[C@@H]2CCCCN12 ZINC000369225055 501078492 /nfs/dbraw/zinc/07/84/92/501078492.db2.gz NFOYAUFCHNSJTE-SJORKVTESA-N 1 0 310.397 2.788 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cncs1 ZINC000151062509 518183376 /nfs/dbraw/zinc/18/33/76/518183376.db2.gz DMFPGTDFGGQLFR-ZDUSSCGKSA-N 1 0 303.431 2.831 20 10 DFCDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1=O ZINC000186048381 519687562 /nfs/dbraw/zinc/68/75/62/519687562.db2.gz OQDYMFQWABEXEC-SUMWQHHRSA-N 1 0 316.445 2.931 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@@H](CC)[C@H](O)C(F)(F)F)c(O)c1 ZINC000270773236 520370842 /nfs/dbraw/zinc/37/08/42/520370842.db2.gz ARVNJDYZNOEBDH-JSGCOSHPSA-N 1 0 321.339 2.972 20 10 DFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180019286 520660455 /nfs/dbraw/zinc/66/04/55/520660455.db2.gz BBWZIIIYBQSSHN-CYBMUJFWSA-N 1 0 308.397 2.660 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000236911884 520900013 /nfs/dbraw/zinc/90/00/13/520900013.db2.gz PERKWRNDSZSHPT-HUUCEWRRSA-N 1 0 321.440 2.806 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000179964183 521145602 /nfs/dbraw/zinc/14/56/02/521145602.db2.gz SVVLDAGPTVYFOF-ZDUSSCGKSA-N 1 0 321.417 2.955 20 10 DFCDRO CCC[NH+](CCC)CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181031992 521645169 /nfs/dbraw/zinc/64/51/69/521645169.db2.gz KQYCIHBSIOQCGA-VQHVLOKHSA-N 1 0 320.433 2.739 20 10 DFCDRO C[NH+](C)CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C ZINC000180788687 521809786 /nfs/dbraw/zinc/80/97/86/521809786.db2.gz UTBBOIMTDHVKKH-MNDMWVCDSA-N 1 0 320.433 2.594 20 10 DFCDRO C[NH+](C)[C@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC000156071428 522099038 /nfs/dbraw/zinc/09/90/38/522099038.db2.gz SXBCKUJYWRTDMA-ZDUSSCGKSA-N 1 0 313.239 2.681 20 10 DFCDRO CN(C)[C@]1(C[NH2+]Cc2c(O)cccc2Cl)CCSC1 ZINC000267038613 522111039 /nfs/dbraw/zinc/11/10/39/522111039.db2.gz CETJHMUCFOYCPC-AWEZNQCLSA-N 1 0 300.855 2.573 20 10 DFCDRO CN(C)c1ccc(CN(C(=O)C2CC[NH+](C)CC2)C2CC2)cc1 ZINC000266841371 522160831 /nfs/dbraw/zinc/16/08/31/522160831.db2.gz PESFFCDIZJGWLK-UHFFFAOYSA-N 1 0 315.461 2.585 20 10 DFCDRO COC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccc(C)o1 ZINC000182529372 522361404 /nfs/dbraw/zinc/36/14/04/522361404.db2.gz PRBVFKFFWAJIEP-CYBMUJFWSA-N 1 0 321.373 2.788 20 10 DFCDRO COc1cc(O)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000190174123 522772249 /nfs/dbraw/zinc/77/22/49/522772249.db2.gz PGHPYYMLXKLZSA-INIZCTEOSA-N 1 0 321.417 2.800 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1OC ZINC000180262747 522774787 /nfs/dbraw/zinc/77/47/87/522774787.db2.gz SNHFMEXKVDPIAO-AWEZNQCLSA-N 1 0 317.389 2.860 20 10 DFCDRO COCCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000158231839 523175362 /nfs/dbraw/zinc/17/53/62/523175362.db2.gz XMZQNWWSKDXCQJ-AWEZNQCLSA-N 1 0 310.413 2.740 20 10 DFCDRO COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H](C)C[NH3+])c2C)cc1 ZINC000237303660 523313278 /nfs/dbraw/zinc/31/32/78/523313278.db2.gz XHSSPXFBFNDNTL-ZDUSSCGKSA-N 1 0 315.417 2.522 20 10 DFCDRO COCCCOCC[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000181521805 523405188 /nfs/dbraw/zinc/40/51/88/523405188.db2.gz NQTQWMGDJWGTSI-UHFFFAOYSA-N 1 0 301.814 2.839 20 10 DFCDRO CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000190489251 523417550 /nfs/dbraw/zinc/41/75/50/523417550.db2.gz IQSSOBIYCIIRQU-QGZVFWFLSA-N 1 0 311.429 2.741 20 10 DFCDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000191694744 523442208 /nfs/dbraw/zinc/44/22/08/523442208.db2.gz YRBKGAWKHPHYFH-UWVGGRQHSA-N 1 0 302.212 2.976 20 10 DFCDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000191636239 523444125 /nfs/dbraw/zinc/44/41/25/523444125.db2.gz WPTUJFNZHBNBFX-MJBXVCDLSA-N 1 0 310.413 2.736 20 10 DFCDRO Cc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)c(C)n1-c1ccccc1C ZINC000237729987 524124588 /nfs/dbraw/zinc/12/45/88/524124588.db2.gz PIBWVRUKUJQGGB-KRWDZBQOSA-N 1 0 311.429 2.870 20 10 DFCDRO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000264743046 524178704 /nfs/dbraw/zinc/17/87/04/524178704.db2.gz URUPCINBBWPBML-KRWDZBQOSA-N 1 0 315.413 2.881 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@H](OC)C3)CC2)cc1 ZINC000364811173 524403024 /nfs/dbraw/zinc/40/30/24/524403024.db2.gz NPKRRWZMLXNDQX-YJBOKZPZSA-N 1 0 304.434 2.821 20 10 DFCDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(C)ccc3O)C2=O)cc1 ZINC000191801764 524474350 /nfs/dbraw/zinc/47/43/50/524474350.db2.gz FPSMEBGSZACLRG-SFHVURJKSA-N 1 0 324.424 2.900 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000182635737 524755072 /nfs/dbraw/zinc/75/50/72/524755072.db2.gz WAYNSAWMAOASHR-CZUORRHYSA-N 1 0 309.431 2.545 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000158260616 524765161 /nfs/dbraw/zinc/76/51/61/524765161.db2.gz JKDGGZNVGGDXDQ-UKRRQHHQSA-N 1 0 301.386 2.655 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c1 ZINC000185313853 524770022 /nfs/dbraw/zinc/77/00/22/524770022.db2.gz SCOQJKWOIXEUGG-LBPRGKRZSA-N 1 0 324.421 2.918 20 10 DFCDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1F ZINC000265171980 525180392 /nfs/dbraw/zinc/18/03/92/525180392.db2.gz USPNWFMMLMFQNC-SFHVURJKSA-N 1 0 319.351 2.897 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1C ZINC000156312973 525313727 /nfs/dbraw/zinc/31/37/27/525313727.db2.gz JTLFHWMKVGBYLB-UHFFFAOYSA-N 1 0 312.417 2.511 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1O ZINC000180129424 525940105 /nfs/dbraw/zinc/94/01/05/525940105.db2.gz LFWJMFDFTUPRCM-OAHLLOKOSA-N 1 0 301.390 2.570 20 10 DFCDRO COc1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1O ZINC000190282696 525956845 /nfs/dbraw/zinc/95/68/45/525956845.db2.gz YHGHLOIFSSTMKD-GJZGRUSLSA-N 1 0 319.426 2.670 20 10 DFCDRO COc1cccc(C[NH2+]Cc2cccc3c2OCCCO3)c1O ZINC000114217027 526026153 /nfs/dbraw/zinc/02/61/53/526026153.db2.gz JORVYSDHXCXBRZ-UHFFFAOYSA-N 1 0 315.369 2.852 20 10 DFCDRO COc1cccc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000365144388 526033408 /nfs/dbraw/zinc/03/34/08/526033408.db2.gz ZAFFYXGIEPJTHI-OAHLLOKOSA-N 1 0 315.417 2.825 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000180066086 526348931 /nfs/dbraw/zinc/34/89/31/526348931.db2.gz RAUQYURMBFBYNB-UHFFFAOYSA-N 1 0 321.421 2.696 20 10 DFCDRO Nc1ccc(CC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000237910300 527477657 /nfs/dbraw/zinc/47/76/57/527477657.db2.gz UIVQFTWKNRCGGA-IBGZPJMESA-N 1 0 323.440 2.765 20 10 DFCDRO Nc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237915818 527478380 /nfs/dbraw/zinc/47/83/80/527478380.db2.gz VKXZZFPOJRAUCI-IBGZPJMESA-N 1 0 323.440 2.592 20 10 DFCDRO Cn1nncc1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000156775284 527651599 /nfs/dbraw/zinc/65/15/99/527651599.db2.gz QDBDKDPAYUJJBM-UHFFFAOYSA-N 1 0 300.406 2.856 20 10 DFCDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273402544 534946744 /nfs/dbraw/zinc/94/67/44/534946744.db2.gz NLKGUJVDIVKWNG-OLZOCXBDSA-N 1 0 307.394 2.683 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](OCC)[C@@]23CCCO3)c1 ZINC000273570088 535753071 /nfs/dbraw/zinc/75/30/71/535753071.db2.gz GHYYKHJKEVMPSR-KZNAEPCWSA-N 1 0 321.417 2.607 20 10 DFCDRO COC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000273396417 536412324 /nfs/dbraw/zinc/41/23/24/536412324.db2.gz LYRPNHNNOZEXQA-SNVBAGLBSA-N 1 0 312.797 2.927 20 10 DFCDRO COCCOc1ncccc1C[NH2+][C@H](C)c1ccccc1O ZINC000272795681 536742736 /nfs/dbraw/zinc/74/27/36/536742736.db2.gz ANHPOWCHMFNOGZ-CYBMUJFWSA-N 1 0 302.374 2.663 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824530680 608458963 /nfs/dbraw/zinc/45/89/63/608458963.db2.gz MSVOTCBHYBRBOK-NEPJUHHUSA-N 1 0 309.373 2.984 20 10 DFCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824530686 608459011 /nfs/dbraw/zinc/45/90/11/608459011.db2.gz MSVOTCBHYBRBOK-VXGBXAGGSA-N 1 0 309.373 2.984 20 10 DFCDRO C[C@@H]([NH2+]CC1(CO)COC1)c1ccc(N2CCCCCC2)cc1 ZINC000090644219 185307935 /nfs/dbraw/zinc/30/79/35/185307935.db2.gz MHYCGLYCXIQZCS-MRXNPFEDSA-N 1 0 318.461 2.727 20 10 DFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092710395 185335708 /nfs/dbraw/zinc/33/57/08/185335708.db2.gz FQQKGXCPYYCXNL-OAHLLOKOSA-N 1 0 320.433 2.529 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)COC(C)(C)C)C2CC2)cc1 ZINC000298735370 282288887 /nfs/dbraw/zinc/28/88/87/282288887.db2.gz UUJVNBGZAYIQCF-GOSISDBHSA-N 1 0 320.477 2.893 20 10 DFCDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1ccc(N)cc1 ZINC000236861185 202039878 /nfs/dbraw/zinc/03/98/78/202039878.db2.gz HSLCFIMKIRMCGP-UHFFFAOYSA-N 1 0 305.466 2.638 20 10 DFCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000273481188 299273573 /nfs/dbraw/zinc/27/35/73/299273573.db2.gz MBAQNQVLMZUHPH-AFAVFJNCSA-N 1 0 322.424 2.560 20 10 DFCDRO COc1ccc(N2CCC[N@H+](CCc3ccncc3)CC2)cc1 ZINC000076851247 398872876 /nfs/dbraw/zinc/87/28/76/398872876.db2.gz DVTQAAVBHKWYRD-UHFFFAOYSA-N 1 0 311.429 2.845 20 10 DFCDRO CC(=O)NCC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000054517146 398901604 /nfs/dbraw/zinc/90/16/04/398901604.db2.gz NXLGHYQGQKZIHJ-UHFFFAOYSA-N 1 0 312.413 2.894 20 10 DFCDRO Oc1cc2c(cc1C[NH2+]Cc1ccc3c(n1)CCCC3)OCO2 ZINC000277661824 370691969 /nfs/dbraw/zinc/69/19/69/370691969.db2.gz GYQPCZSIJVQDFK-UHFFFAOYSA-N 1 0 312.369 2.685 20 10 DFCDRO CO[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000091772178 193104500 /nfs/dbraw/zinc/10/45/00/193104500.db2.gz JABOFDPUTOCIGY-LBPRGKRZSA-N 1 0 300.196 2.766 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(c3nc(C)no3)CC2)c1O ZINC000091835179 193115221 /nfs/dbraw/zinc/11/52/21/193115221.db2.gz RLVKVQRIENQJQM-UHFFFAOYSA-N 1 0 317.389 2.862 20 10 DFCDRO Cc1nc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)oc1C ZINC000093056251 193199821 /nfs/dbraw/zinc/19/98/21/193199821.db2.gz QLBZJTVKMXQGEY-UHFFFAOYSA-N 1 0 315.417 2.623 20 10 DFCDRO Cc1cccnc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093158144 193209412 /nfs/dbraw/zinc/20/94/12/193209412.db2.gz DWDOCKOMOHPKTF-UHFFFAOYSA-N 1 0 311.429 2.859 20 10 DFCDRO CCCO[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000093317586 193229838 /nfs/dbraw/zinc/22/98/38/193229838.db2.gz GZWVJNATIKSTLI-CQSZACIVSA-N 1 0 307.390 2.902 20 10 DFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC(=O)NC)cc1 ZINC000060842497 399144516 /nfs/dbraw/zinc/14/45/16/399144516.db2.gz QACHLFUROZZOOE-UHFFFAOYSA-N 1 0 311.429 2.549 20 10 DFCDRO CCOc1cccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000039552405 183020616 /nfs/dbraw/zinc/02/06/16/183020616.db2.gz NMKSRVNRTSGWJX-MRXNPFEDSA-N 1 0 304.434 2.851 20 10 DFCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)CC1CCOCC1 ZINC000112698061 285397633 /nfs/dbraw/zinc/39/76/33/285397633.db2.gz KEYVZWXQCOCWAC-QGZVFWFLSA-N 1 0 305.418 2.800 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccccc1 ZINC000272249321 130011751 /nfs/dbraw/zinc/01/17/51/130011751.db2.gz LPDUSXLKPJVRNG-GDBMZVCRSA-N 1 0 311.429 2.903 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c(O)c1 ZINC000273367740 130112678 /nfs/dbraw/zinc/11/26/78/130112678.db2.gz BVQZKLLVZOURCA-INIZCTEOSA-N 1 0 318.461 2.996 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c(O)c1C ZINC000273517858 130130655 /nfs/dbraw/zinc/13/06/55/130130655.db2.gz SVIDPGGRHAJREW-ZDUSSCGKSA-N 1 0 313.463 2.873 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273539565 130133313 /nfs/dbraw/zinc/13/33/13/130133313.db2.gz YBANJHQBBVDFQJ-DOMZBBRYSA-N 1 0 319.376 2.794 20 10 DFCDRO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615753 130145452 /nfs/dbraw/zinc/14/54/52/130145452.db2.gz XHPFFJYTBJRNAA-LLVKDONJSA-N 1 0 302.330 2.644 20 10 DFCDRO C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)N(C)C ZINC000273621301 130145700 /nfs/dbraw/zinc/14/57/00/130145700.db2.gz ZBEGISQDVLLDTK-ZJUUUORDSA-N 1 0 301.228 2.755 20 10 DFCDRO Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)cc[nH+]1 ZINC000274319168 130225985 /nfs/dbraw/zinc/22/59/85/130225985.db2.gz CMHHLDORSBXTOQ-UHFFFAOYSA-N 1 0 301.365 2.978 20 10 DFCDRO COc1ccc(N2CCN(c3cc[nH+]c(C)c3)CC2)cc1F ZINC000274822395 130265096 /nfs/dbraw/zinc/26/50/96/130265096.db2.gz BVLUPADPTOQBQE-UHFFFAOYSA-N 1 0 301.365 2.864 20 10 DFCDRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1C ZINC000282618459 130932378 /nfs/dbraw/zinc/93/23/78/130932378.db2.gz FHTDUJVBXQPTCW-WMZOPIPTSA-N 1 0 319.445 2.661 20 10 DFCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000283671833 131012580 /nfs/dbraw/zinc/01/25/80/131012580.db2.gz GGTOKQNNVZJCCD-MRXNPFEDSA-N 1 0 319.449 2.798 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c(O)c1 ZINC000284281286 131066239 /nfs/dbraw/zinc/06/62/39/131066239.db2.gz XJOSBSJOLLNWSW-HZPDHXFCSA-N 1 0 306.450 2.506 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000284954583 131125719 /nfs/dbraw/zinc/12/57/19/131125719.db2.gz HRROIEXVLLXDNF-KBPBESRZSA-N 1 0 315.841 2.602 20 10 DFCDRO COC(=O)CN(CCCCF)Cc1cc(Cl)ccc1O ZINC000285116101 131139522 /nfs/dbraw/zinc/13/95/22/131139522.db2.gz AEICFQZBIQKTHQ-UHFFFAOYSA-N 1 0 303.761 2.770 20 10 DFCDRO CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000286260955 131227105 /nfs/dbraw/zinc/22/71/05/131227105.db2.gz VCVXAVNQBYGVMI-RHSMWYFYSA-N 1 0 323.456 2.598 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000286875325 131253741 /nfs/dbraw/zinc/25/37/41/131253741.db2.gz CAVNQLHMMKCFRF-CABCVRRESA-N 1 0 324.490 2.618 20 10 DFCDRO C[N@H+](CCOC1CCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000287490416 131283378 /nfs/dbraw/zinc/28/33/78/131283378.db2.gz XMMCAPHFLYUSMC-UHFFFAOYSA-N 1 0 304.434 2.524 20 10 DFCDRO CCOc1cccc(C[N@H+](CCCO)Cc2ccccn2)c1O ZINC000289181433 131363882 /nfs/dbraw/zinc/36/38/82/131363882.db2.gz AMDLYLDMLVJURE-UHFFFAOYSA-N 1 0 316.401 2.571 20 10 DFCDRO CSC1(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000289273185 131370040 /nfs/dbraw/zinc/37/00/40/131370040.db2.gz NSVCXIPTGBHZHZ-UHFFFAOYSA-N 1 0 320.502 2.881 20 10 DFCDRO COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1O ZINC000289453946 131386783 /nfs/dbraw/zinc/38/67/83/131386783.db2.gz NNFFQLGWEOALTK-UHFFFAOYSA-N 1 0 302.330 2.907 20 10 DFCDRO COc1cccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1O ZINC000289464500 131388641 /nfs/dbraw/zinc/38/86/41/131388641.db2.gz OTDXNGWCLFJIPT-CMPLNLGQSA-N 1 0 305.296 2.600 20 10 DFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H](O)C1CC1 ZINC000289527887 131393792 /nfs/dbraw/zinc/39/37/92/131393792.db2.gz VWCIKOOXTJLDRY-IBGZPJMESA-N 1 0 313.397 2.832 20 10 DFCDRO CCOc1cccc(C[N@H+]2CC=C(c3ccnn3C)CC2)c1O ZINC000289590205 131398650 /nfs/dbraw/zinc/39/86/50/131398650.db2.gz UMUVLJFXSRWSSX-UHFFFAOYSA-N 1 0 313.401 2.814 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000289737657 131411335 /nfs/dbraw/zinc/41/13/35/131411335.db2.gz PYKCSXPBDPGZKL-AWEZNQCLSA-N 1 0 319.323 2.680 20 10 DFCDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000290345735 131479060 /nfs/dbraw/zinc/47/90/60/131479060.db2.gz IKMLAKZZQOYHKI-CRAIPNDOSA-N 1 0 316.445 2.521 20 10 DFCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000188474343 134683874 /nfs/dbraw/zinc/68/38/74/134683874.db2.gz QTNSEBOEHQKJKU-OAHLLOKOSA-N 1 0 303.450 2.633 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000192842018 286339132 /nfs/dbraw/zinc/33/91/32/286339132.db2.gz KGGMGFYWPCGIHB-ZDUSSCGKSA-N 1 0 320.433 2.698 20 10 DFCDRO C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000185491766 287013911 /nfs/dbraw/zinc/01/39/11/287013911.db2.gz PBYRBWQTALYXAJ-KGLIPLIRSA-N 1 0 322.424 2.683 20 10 DFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC)c2O)C1 ZINC000125978783 425998373 /nfs/dbraw/zinc/99/83/73/425998373.db2.gz FCIIPOIPCHTIGM-OCCSQVGLSA-N 1 0 307.390 2.612 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1C ZINC000069796953 425957715 /nfs/dbraw/zinc/95/77/15/425957715.db2.gz MZPYJQLDLYIYST-QGZVFWFLSA-N 1 0 318.461 2.553 20 10 DFCDRO CCOC(=O)CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976559 425979096 /nfs/dbraw/zinc/97/90/96/425979096.db2.gz MWZXOEPKYBAGMN-INIZCTEOSA-N 1 0 321.417 2.717 20 10 DFCDRO C[C@@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccccc1O ZINC000109769205 426033350 /nfs/dbraw/zinc/03/33/50/426033350.db2.gz BUKYYFTYEDAKCK-LBPRGKRZSA-N 1 0 304.415 2.590 20 10 DFCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000113343351 426112822 /nfs/dbraw/zinc/11/28/22/426112822.db2.gz KRRMMSHWFKVMTN-OAHLLOKOSA-N 1 0 318.417 2.721 20 10 DFCDRO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166853120 426130131 /nfs/dbraw/zinc/13/01/31/426130131.db2.gz WRABRQSOLLYQQE-HUUCEWRRSA-N 1 0 324.440 2.722 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)c2ccsc2)c1O ZINC000077461035 426134597 /nfs/dbraw/zinc/13/45/97/426134597.db2.gz BNDPWJKBIJEPBR-MRXNPFEDSA-N 1 0 307.415 2.850 20 10 DFCDRO Nc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000168526155 426135382 /nfs/dbraw/zinc/13/53/82/426135382.db2.gz XMDSTXDYEHACSK-QGZVFWFLSA-N 1 0 315.461 2.725 20 10 DFCDRO CN(CC[N@H+](C)Cc1ccccc1O)Cc1ccccc1O ZINC000114721355 426142515 /nfs/dbraw/zinc/14/25/15/426142515.db2.gz FPXFOFOABQOKBF-UHFFFAOYSA-N 1 0 300.402 2.662 20 10 DFCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000170902087 426159179 /nfs/dbraw/zinc/15/91/79/426159179.db2.gz OBIMGUKOAOQNOD-SFHVURJKSA-N 1 0 315.461 2.777 20 10 DFCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCCC3)C1)OCO2 ZINC000136714593 426244963 /nfs/dbraw/zinc/24/49/63/426244963.db2.gz PWCVYIAMRUOBGB-CYBMUJFWSA-N 1 0 305.374 2.702 20 10 DFCDRO C[C@H]1CCC[N@@H+]1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000151629744 426304387 /nfs/dbraw/zinc/30/43/87/426304387.db2.gz MHIWLIPFNXFCJY-ZDUSSCGKSA-N 1 0 318.417 2.570 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000120579958 426312828 /nfs/dbraw/zinc/31/28/28/426312828.db2.gz WHDCJOSFJIONHJ-LBPRGKRZSA-N 1 0 303.793 2.809 20 10 DFCDRO CCC[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[NH+](C)C ZINC000121147971 426322420 /nfs/dbraw/zinc/32/24/20/426322420.db2.gz TWTBMEOGXZEEAJ-INIZCTEOSA-N 1 0 304.434 2.618 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@](C)(CCO)COC)cc1F ZINC000175855049 426334781 /nfs/dbraw/zinc/33/47/81/426334781.db2.gz ATJXEWXTLYCWNT-QGZVFWFLSA-N 1 0 312.429 2.549 20 10 DFCDRO Oc1cc2c(cc1CN1CCC[C@@H]([NH+]3CCCCC3)C1)OCO2 ZINC000152538411 426346047 /nfs/dbraw/zinc/34/60/47/426346047.db2.gz PWMLGKQOSMXJGU-OAHLLOKOSA-N 1 0 318.417 2.571 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1O ZINC000092096099 426346261 /nfs/dbraw/zinc/34/62/61/426346261.db2.gz DFFWUQXDXWVRIU-OWCLPIDISA-N 1 0 321.417 2.559 20 10 DFCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCOC1 ZINC000093839570 426357349 /nfs/dbraw/zinc/35/73/49/426357349.db2.gz DXXXLHSMWNJSRZ-SNVBAGLBSA-N 1 0 300.196 2.623 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000093691657 426357679 /nfs/dbraw/zinc/35/76/79/426357679.db2.gz OBOSSVIHAIAXOU-QGZVFWFLSA-N 1 0 314.385 2.839 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)c2cccs2)cc1F ZINC000153024172 426367434 /nfs/dbraw/zinc/36/74/34/426367434.db2.gz JJWDCTBFPBJFQV-MRXNPFEDSA-N 1 0 308.422 2.951 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1O ZINC000123062886 426412046 /nfs/dbraw/zinc/41/20/46/426412046.db2.gz NRTJANDMTYONHW-HNNXBMFYSA-N 1 0 301.390 2.743 20 10 DFCDRO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000153903427 426413098 /nfs/dbraw/zinc/41/30/98/426413098.db2.gz OZGNDFFJGCKCFO-CYBMUJFWSA-N 1 0 315.417 2.979 20 10 DFCDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000154012252 426417991 /nfs/dbraw/zinc/41/79/91/426417991.db2.gz IQBMTPNZGPPORE-CQSZACIVSA-N 1 0 322.405 2.501 20 10 DFCDRO CC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000123381048 426429702 /nfs/dbraw/zinc/42/97/02/426429702.db2.gz VQQDVCGCLFRTQI-YJBOKZPZSA-N 1 0 305.466 2.514 20 10 DFCDRO Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)c(C)n1-c1ccccc1 ZINC000098067779 426477556 /nfs/dbraw/zinc/47/75/56/426477556.db2.gz BCIBXGCAGWHROC-UHFFFAOYSA-N 1 0 311.429 2.872 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000280192087 426516326 /nfs/dbraw/zinc/51/63/26/426516326.db2.gz HKUNLOQAHYNKHH-VQIMIIECSA-N 1 0 318.461 2.913 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2O)C12CCOCC2 ZINC000186456138 426530740 /nfs/dbraw/zinc/53/07/40/426530740.db2.gz MRVMWUILJSJDFF-HZPDHXFCSA-N 1 0 305.418 2.764 20 10 DFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000219457405 426572560 /nfs/dbraw/zinc/57/25/60/426572560.db2.gz BNLAYLJDNLRWSM-AWEZNQCLSA-N 1 0 302.340 2.690 20 10 DFCDRO C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000178167487 426579717 /nfs/dbraw/zinc/57/97/17/426579717.db2.gz CQRJKPMSGBUAAJ-CQSZACIVSA-N 1 0 324.440 2.722 20 10 DFCDRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000186865219 426600655 /nfs/dbraw/zinc/60/06/55/426600655.db2.gz AIFLTOQLWPFVCM-LLVKDONJSA-N 1 0 319.854 2.911 20 10 DFCDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000289641886 426671182 /nfs/dbraw/zinc/67/11/82/426671182.db2.gz XOXOWQJEIADIJC-UHFFFAOYSA-N 1 0 315.797 2.733 20 10 DFCDRO Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289659083 426671619 /nfs/dbraw/zinc/67/16/19/426671619.db2.gz NDTCHYLCEOEOEV-OLZOCXBDSA-N 1 0 303.324 2.693 20 10 DFCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000289866195 426675980 /nfs/dbraw/zinc/67/59/80/426675980.db2.gz GUIMTEPGYFFPFY-DLBZAZTESA-N 1 0 303.450 2.537 20 10 DFCDRO CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000289910131 426676716 /nfs/dbraw/zinc/67/67/16/426676716.db2.gz URVFDMGSOLEEJS-LLVKDONJSA-N 1 0 315.255 2.973 20 10 DFCDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(O)c1O)c1ccco1 ZINC000187033885 426623204 /nfs/dbraw/zinc/62/32/04/426623204.db2.gz LUBHPYUJAHLSCM-CYBMUJFWSA-N 1 0 318.373 2.504 20 10 DFCDRO CCC(O)(CC)C[NH2+]Cc1cc(Br)ccc1O ZINC000227442204 426625687 /nfs/dbraw/zinc/62/56/87/426625687.db2.gz VXRQUQADAFXIAQ-UHFFFAOYSA-N 1 0 302.212 2.795 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000237086682 426689964 /nfs/dbraw/zinc/68/99/64/426689964.db2.gz QLYGHFHBLHLRJO-UHFFFAOYSA-N 1 0 315.383 2.869 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1OC ZINC000281259256 426706254 /nfs/dbraw/zinc/70/62/54/426706254.db2.gz XWFKMWBWHYSBTR-JTQLQIEISA-N 1 0 301.333 2.934 20 10 DFCDRO Oc1cc2c(cc1C[NH2+]CCCOc1ccccc1)OCO2 ZINC000238126461 426710635 /nfs/dbraw/zinc/71/06/35/426710635.db2.gz QXENTLSXITUJRD-UHFFFAOYSA-N 1 0 301.342 2.680 20 10 DFCDRO Oc1cc2c(cc1C[NH2+]CCc1cc(F)cc(F)c1)OCO2 ZINC000238128229 426711223 /nfs/dbraw/zinc/71/12/23/426711223.db2.gz ZRDGUZMVSZIOKO-UHFFFAOYSA-N 1 0 307.296 2.731 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1O ZINC000245719543 426765586 /nfs/dbraw/zinc/76/55/86/426765586.db2.gz DFFWUQXDXWVRIU-ARFHVFGLSA-N 1 0 321.417 2.559 20 10 DFCDRO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(OC)c1O ZINC000246124994 426802327 /nfs/dbraw/zinc/80/23/27/426802327.db2.gz ACRUJLXHPZRIHU-YUELXQCFSA-N 1 0 319.401 2.707 20 10 DFCDRO CCc1nsc(N2CCC[N@H+](Cc3ccccc3O)CC2)n1 ZINC000179584843 426804650 /nfs/dbraw/zinc/80/46/50/426804650.db2.gz LGWSQBRSHGTUPO-UHFFFAOYSA-N 1 0 318.446 2.518 20 10 DFCDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000179669584 426812580 /nfs/dbraw/zinc/81/25/80/426812580.db2.gz SKKWWNUIHGSXGE-CQSZACIVSA-N 1 0 306.406 2.800 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000282466007 426916636 /nfs/dbraw/zinc/91/66/36/426916636.db2.gz VYACLCLKLPHNIR-LJQANCHMSA-N 1 0 313.397 2.715 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CN(C)C(C)C)c1O ZINC000291585607 426921811 /nfs/dbraw/zinc/92/18/11/426921811.db2.gz PHDMIBDOIOHZGB-LLVKDONJSA-N 1 0 300.830 2.873 20 10 DFCDRO CC[C@H]([NH2+]Cc1cnn(CCOC)c1)c1ccc(N(C)C)cc1 ZINC000282780536 426923436 /nfs/dbraw/zinc/92/34/36/426923436.db2.gz PMKFCEBWQYMDAD-SFHVURJKSA-N 1 0 316.449 2.836 20 10 DFCDRO COc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000290881620 426863251 /nfs/dbraw/zinc/86/32/51/426863251.db2.gz KUQOLQRYDDNZOI-WBVHZDCISA-N 1 0 303.402 2.934 20 10 DFCDRO CN(C)CC1([NH2+]Cc2cc(Br)ccc2O)CCC1 ZINC000282272152 426869195 /nfs/dbraw/zinc/86/91/95/426869195.db2.gz PXDWJWRXTPECEF-UHFFFAOYSA-N 1 0 313.239 2.729 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1[C@H]1CCCO1)OCO2 ZINC000290947660 426871081 /nfs/dbraw/zinc/87/10/81/426871081.db2.gz QKQNXNLTYWBBNV-PBHICJAKSA-N 1 0 317.385 2.654 20 10 DFCDRO Cn1cc([C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)cn1 ZINC000295262124 426881986 /nfs/dbraw/zinc/88/19/86/426881986.db2.gz GYDOKVMVWNUSDR-JTQLQIEISA-N 1 0 309.772 2.908 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]Cc2ncccc2N(C)C)c1O ZINC000291453317 426885544 /nfs/dbraw/zinc/88/55/44/426885544.db2.gz CQZGUMAUNNGMOU-UHFFFAOYSA-N 1 0 321.808 2.805 20 10 DFCDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(C)c(C)cc3O)[C@@H]2C1 ZINC000247050133 426898637 /nfs/dbraw/zinc/89/86/37/426898637.db2.gz VFJHCVHWYAFEOB-JFIYKMOQSA-N 1 0 305.418 2.777 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCCCN3C[C@H]2C)c1O ZINC000316777154 426950086 /nfs/dbraw/zinc/95/00/86/426950086.db2.gz AATSPOWPJSZWRN-ZBFHGGJFSA-N 1 0 304.434 2.850 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1[O-] ZINC000275872778 426936027 /nfs/dbraw/zinc/93/60/27/426936027.db2.gz NYJALVLRTULFFX-HDJSIYSDSA-N 1 0 311.809 2.984 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)c1 ZINC000248866962 427055338 /nfs/dbraw/zinc/05/53/38/427055338.db2.gz TWEJGVJLGHGYTD-NUTKFTJISA-N 1 0 319.401 2.564 20 10 DFCDRO CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295914968 427017614 /nfs/dbraw/zinc/01/76/14/427017614.db2.gz JLFXVVNXHSWSON-MRXNPFEDSA-N 1 0 310.397 2.871 20 10 DFCDRO O[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(N5CCCCC5)cc4)[C@H]1[C@H]3C2 ZINC000249457469 427117088 /nfs/dbraw/zinc/11/70/88/427117088.db2.gz GJGRGXITXBYZHB-CZKCSJLSSA-N 1 0 312.457 2.878 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268797783 427119045 /nfs/dbraw/zinc/11/90/45/427119045.db2.gz CLHOWXWJKJHWSU-DZGCQCFKSA-N 1 0 319.424 2.697 20 10 DFCDRO C[C@@H]([NH2+]CCOCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268856002 427134326 /nfs/dbraw/zinc/13/43/26/427134326.db2.gz CWESQGFHBNSGPX-CQSZACIVSA-N 1 0 322.424 2.740 20 10 DFCDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268846022 427135424 /nfs/dbraw/zinc/13/54/24/427135424.db2.gz AMEFHUHNCBXBQQ-WMLDXEAASA-N 1 0 324.440 2.720 20 10 DFCDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000277196489 427136796 /nfs/dbraw/zinc/13/67/96/427136796.db2.gz JACXKDWHCWOZLV-AWEZNQCLSA-N 1 0 303.450 2.710 20 10 DFCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000268933800 427139627 /nfs/dbraw/zinc/13/96/27/427139627.db2.gz MRVHZVCVJAZGCN-KSSFIOAISA-N 1 0 324.440 2.984 20 10 DFCDRO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)[nH]1 ZINC000292758599 427197748 /nfs/dbraw/zinc/19/77/48/427197748.db2.gz IQHKKTFIIVALPE-MRXNPFEDSA-N 1 0 313.449 2.867 20 10 DFCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000296645282 427227196 /nfs/dbraw/zinc/22/71/96/427227196.db2.gz YLHAEDWTLVZVPH-YOEHRIQHSA-N 1 0 305.466 2.906 20 10 DFCDRO COc1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cc1C ZINC000269897721 427302283 /nfs/dbraw/zinc/30/22/83/427302283.db2.gz DYLZQFGYLPUNNU-MSOLQXFVSA-N 1 0 315.413 2.578 20 10 DFCDRO COC(=O)N1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293613753 427382524 /nfs/dbraw/zinc/38/25/24/427382524.db2.gz GUEPGWLDPPVPDQ-ZDUSSCGKSA-N 1 0 306.406 2.890 20 10 DFCDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271080295 427397200 /nfs/dbraw/zinc/39/72/00/427397200.db2.gz QVFSLNKVGHYJMI-CYBMUJFWSA-N 1 0 322.836 2.784 20 10 DFCDRO CCOCc1cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)ccc1OC ZINC000270551048 427364445 /nfs/dbraw/zinc/36/44/45/427364445.db2.gz MKZFEPPXCMMRJR-CQSZACIVSA-N 1 0 321.339 2.635 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)[C@@H](O)C(F)(F)F)c1 ZINC000270972499 427368089 /nfs/dbraw/zinc/36/80/89/427368089.db2.gz JRXYRPPAGRVTOS-DGCLKSJQSA-N 1 0 307.312 2.582 20 10 DFCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000293756572 427426244 /nfs/dbraw/zinc/42/62/44/427426244.db2.gz QVTIPKNJPDABPR-STQMWFEESA-N 1 0 308.422 2.604 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCCCN2C2CC2)cc1OC ZINC000278337952 427430806 /nfs/dbraw/zinc/43/08/06/427430806.db2.gz HIHBFPOSDDHQMD-OAHLLOKOSA-N 1 0 320.433 2.516 20 10 DFCDRO CC(=O)N1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000271176664 427431070 /nfs/dbraw/zinc/43/10/70/427431070.db2.gz JRIOBXLRVLUKOA-MRXNPFEDSA-N 1 0 315.461 2.730 20 10 DFCDRO CCOC(=O)N1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000271186563 427438553 /nfs/dbraw/zinc/43/85/53/427438553.db2.gz KGTOANMEBAJNRU-UHFFFAOYSA-N 1 0 312.797 2.710 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC000278424845 427439295 /nfs/dbraw/zinc/43/92/95/427439295.db2.gz GJAQBIZQTKDJRB-HZPDHXFCSA-N 1 0 306.450 2.852 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000278424616 427439433 /nfs/dbraw/zinc/43/94/33/427439433.db2.gz SENXBLARTHWQAA-UKRRQHHQSA-N 1 0 316.367 2.888 20 10 DFCDRO COc1c([O-])c(C[NH2+][C@H]2CC(C)(C)OC2(C)C)ccc1[N+](=O)[O-] ZINC000278507270 427443305 /nfs/dbraw/zinc/44/33/05/427443305.db2.gz PBRWTZUSPOADFP-LBPRGKRZSA-N 1 0 324.377 2.745 20 10 DFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000278673349 427446532 /nfs/dbraw/zinc/44/65/32/427446532.db2.gz OIZIOGTZALTSKK-RBUKOAKNSA-N 1 0 318.461 2.961 20 10 DFCDRO Cc1cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)ccc1N(C)C ZINC000293920608 427492091 /nfs/dbraw/zinc/49/20/91/427492091.db2.gz XUUIROHOKCLDMJ-KRWDZBQOSA-N 1 0 313.449 2.565 20 10 DFCDRO COC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O ZINC000184676172 427515328 /nfs/dbraw/zinc/51/53/28/427515328.db2.gz WWPCBHXPOCWMDV-LBPRGKRZSA-N 1 0 313.781 2.582 20 10 DFCDRO C[C@H]([NH2+]CCCN1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000184837983 427549696 /nfs/dbraw/zinc/54/96/96/427549696.db2.gz PHAGLGBQQXJFDU-HNNXBMFYSA-N 1 0 318.461 2.644 20 10 DFCDRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Cl)ccc1O ZINC000184916926 427562882 /nfs/dbraw/zinc/56/28/82/427562882.db2.gz URMDJWUXEZABGW-SNVBAGLBSA-N 1 0 308.765 2.719 20 10 DFCDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000184949160 427567486 /nfs/dbraw/zinc/56/74/86/427567486.db2.gz VTAPUYIUVZNXPI-GTNSWQLSSA-N 1 0 305.349 2.924 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H](CO)c2ccc(Cl)cc2)c1 ZINC000271766405 427583845 /nfs/dbraw/zinc/58/38/45/427583845.db2.gz AJMMJHUKNBUSNQ-OAHLLOKOSA-N 1 0 307.777 2.877 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(NC(C)=O)nc2)c1 ZINC000279173590 427584641 /nfs/dbraw/zinc/58/46/41/427584641.db2.gz UZEWDCOICWHTCY-NSHDSACASA-N 1 0 315.373 2.605 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC000271759342 427585706 /nfs/dbraw/zinc/58/57/06/427585706.db2.gz YDEZIQXIYPYUMO-AWEZNQCLSA-N 1 0 320.433 2.528 20 10 DFCDRO Cc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000271715979 427586895 /nfs/dbraw/zinc/58/68/95/427586895.db2.gz IHVVFCKWLUVUKS-UHFFFAOYSA-N 1 0 310.397 2.964 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c(O)c1 ZINC000185127861 427597873 /nfs/dbraw/zinc/59/78/73/427597873.db2.gz LGXGAOFDYBJUPD-UKRRQHHQSA-N 1 0 319.376 2.930 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOC[C@H]2CCCO2)c1 ZINC000192939190 427638823 /nfs/dbraw/zinc/63/88/23/427638823.db2.gz NNZPQZNTGHEWRW-UKRRQHHQSA-N 1 0 309.406 2.637 20 10 DFCDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(O)c1O ZINC000192961106 427644254 /nfs/dbraw/zinc/64/42/54/427644254.db2.gz OKSGNJJPDWZGKM-UHFFFAOYSA-N 1 0 312.369 2.946 20 10 DFCDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185463781 427656314 /nfs/dbraw/zinc/65/63/14/427656314.db2.gz PSGPXOOCZMSWBS-TVQRCGJNSA-N 1 0 302.212 2.822 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H]3CCCO3)cc2)CC1 ZINC000294972751 427669408 /nfs/dbraw/zinc/66/94/08/427669408.db2.gz LDKYDMZXHMDHJJ-KXBFYZLASA-N 1 0 318.461 2.959 20 10 DFCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000295024042 427669939 /nfs/dbraw/zinc/66/99/39/427669939.db2.gz KZENOIGPWRMTFN-WBMJQRKESA-N 1 0 308.422 2.554 20 10 DFCDRO C[C@@H](c1nccs1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000185609250 427680745 /nfs/dbraw/zinc/68/07/45/427680745.db2.gz LOMAMOCEUYQBJH-ZDUSSCGKSA-N 1 0 303.431 2.728 20 10 DFCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185866468 427721245 /nfs/dbraw/zinc/72/12/45/427721245.db2.gz ISSNFVMXCWHHHZ-NSHDSACASA-N 1 0 319.405 2.556 20 10 DFCDRO CC(C)COC[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298723255 427687222 /nfs/dbraw/zinc/68/72/22/427687222.db2.gz LVWMWOAZYBZHGJ-IBGZPJMESA-N 1 0 320.477 2.751 20 10 DFCDRO C=Cn1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000193605492 427698794 /nfs/dbraw/zinc/69/87/94/427698794.db2.gz RLIOTGFCLVHGND-QGZVFWFLSA-N 1 0 313.401 2.870 20 10 DFCDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cc(Br)ccc1O ZINC000295136117 427707791 /nfs/dbraw/zinc/70/77/91/427707791.db2.gz YUEBQKDHRDYWLI-SECBINFHSA-N 1 0 302.212 2.794 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000279615279 427713509 /nfs/dbraw/zinc/71/35/09/427713509.db2.gz GCPPEIVLPKDBEG-KBXCAEBGSA-N 1 0 321.417 2.561 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC2(CCOCC2)O1 ZINC000279684992 427714804 /nfs/dbraw/zinc/71/48/04/427714804.db2.gz FQQQAZNGPBHJQE-OAHLLOKOSA-N 1 0 304.434 2.523 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000279717116 427716333 /nfs/dbraw/zinc/71/63/33/427716333.db2.gz UDFKIQSHPRNRJK-WBMJQRKESA-N 1 0 311.809 2.734 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOC2CCOCC2)c1 ZINC000186074274 427745693 /nfs/dbraw/zinc/74/56/93/427745693.db2.gz QSFJVVJKKNICBN-CYBMUJFWSA-N 1 0 309.406 2.637 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@]2(CCOC2)O1 ZINC000369545194 427995525 /nfs/dbraw/zinc/99/55/25/427995525.db2.gz DOEBFDFEHZWQOP-GOEBONIOSA-N 1 0 311.809 2.816 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C(=O)OC)C3(CCC3)C2)c1O ZINC000369650615 428025427 /nfs/dbraw/zinc/02/54/27/428025427.db2.gz VLPGUJKSQYMADH-AWEZNQCLSA-N 1 0 319.401 2.566 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000359910084 428073225 /nfs/dbraw/zinc/07/32/25/428073225.db2.gz ZRWILMFMPSJQOB-GOEBONIOSA-N 1 0 304.434 2.821 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2c2cccnn2)c(O)c1 ZINC000359957267 428093873 /nfs/dbraw/zinc/09/38/73/428093873.db2.gz HCNZESRIFGEKQH-GJZGRUSLSA-N 1 0 312.417 2.810 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC3(CCC[N@H+]3C)CC2)c1O ZINC000369956412 428097485 /nfs/dbraw/zinc/09/74/85/428097485.db2.gz BNCYMOGMZHZVMV-UHFFFAOYSA-N 1 0 320.408 2.794 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000370223761 428162981 /nfs/dbraw/zinc/16/29/81/428162981.db2.gz DZSHOUUPSJTXQY-AEFFLSMTSA-N 1 0 315.417 2.824 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC23CCC(CO)CC3)c1O ZINC000371476245 428393279 /nfs/dbraw/zinc/39/32/79/428393279.db2.gz AVAQYCQNURVXHH-UHFFFAOYSA-N 1 0 305.418 2.918 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1N1CCOCC1)c1cc(F)ccc1O ZINC000371870625 428407329 /nfs/dbraw/zinc/40/73/29/428407329.db2.gz RLCIZVKJGDXTAT-VBQJREDUSA-N 1 0 322.424 2.683 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(c3c[nH]cn3)CC2)c1O ZINC000371332656 428382374 /nfs/dbraw/zinc/38/23/74/428382374.db2.gz ANTKOQREUCLLMH-UHFFFAOYSA-N 1 0 301.390 2.894 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)cc1OC ZINC000371365089 428386874 /nfs/dbraw/zinc/38/68/74/428386874.db2.gz BLIVKYQLJIKEIZ-GFCCVEGCSA-N 1 0 303.358 2.992 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(n3cc(C)cn3)CC2)c1 ZINC000361051691 428531357 /nfs/dbraw/zinc/53/13/57/428531357.db2.gz ZAHWOGOVQIIIRZ-UHFFFAOYSA-N 1 0 301.390 2.743 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1ccccc1O ZINC000372801741 428502629 /nfs/dbraw/zinc/50/26/29/428502629.db2.gz MBNCMLVBJVGCMM-VYDXJSESSA-N 1 0 304.434 2.686 20 10 DFCDRO CCc1nc([C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)no1 ZINC000361055788 428531504 /nfs/dbraw/zinc/53/15/04/428531504.db2.gz XFNNWPSZFURYLT-NSHDSACASA-N 1 0 305.353 2.856 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000373052995 428514352 /nfs/dbraw/zinc/51/43/52/428514352.db2.gz RNXMBXRZJUZLLE-APWZRJJASA-N 1 0 323.440 2.918 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cccc(C)c2O)C[C@]2(CCCOC2)O1 ZINC000373470957 428585724 /nfs/dbraw/zinc/58/57/24/428585724.db2.gz UYRJKEOYZOUNQP-WMZOPIPTSA-N 1 0 305.418 2.861 20 10 DFCDRO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000361100806 428536159 /nfs/dbraw/zinc/53/61/59/428536159.db2.gz AKMKADMGOKDMSZ-HNNXBMFYSA-N 1 0 315.461 2.707 20 10 DFCDRO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(OC)c1O ZINC000361732113 428593899 /nfs/dbraw/zinc/59/38/99/428593899.db2.gz FGKNDHMVBIVPTI-AWEZNQCLSA-N 1 0 301.390 2.784 20 10 DFCDRO [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000362036125 428613972 /nfs/dbraw/zinc/61/39/72/428613972.db2.gz FKGLJJZWJROCQN-YCPHGPKFSA-N 1 0 306.837 2.962 20 10 DFCDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)C[C@]2(CCCOC2)O1 ZINC000373611821 428619920 /nfs/dbraw/zinc/61/99/20/428619920.db2.gz PULDZVAIGSNRHR-KRWDZBQOSA-N 1 0 309.381 2.691 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1O ZINC000290970856 274095192 /nfs/dbraw/zinc/09/51/92/274095192.db2.gz SMDGKGDNKHXMAT-HNNXBMFYSA-N 1 0 313.825 2.941 20 10 DFCDRO COc1c(O)c(C[NH2+][C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000373918567 428655047 /nfs/dbraw/zinc/65/50/47/428655047.db2.gz RBDJYDIBCGZIII-LBPRGKRZSA-N 1 0 316.313 2.532 20 10 DFCDRO O=C([C@H]1CCC[N@@H+](Cc2ccccc2O)C1)N1CCCCC1 ZINC000374260728 428671046 /nfs/dbraw/zinc/67/10/46/428671046.db2.gz YHIABIDQIRTZDQ-INIZCTEOSA-N 1 0 302.418 2.617 20 10 DFCDRO CN(C)c1ccc(C2=CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)cc1 ZINC000374323697 428673836 /nfs/dbraw/zinc/67/38/36/428673836.db2.gz JCPWIUMXPSIMJW-UHFFFAOYSA-N 1 0 321.424 2.751 20 10 DFCDRO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)no1 ZINC000362386125 428725205 /nfs/dbraw/zinc/72/52/05/428725205.db2.gz NXEJQOHZBWSYRV-CQSZACIVSA-N 1 0 318.396 2.963 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)ccc1OC ZINC000374544952 428695642 /nfs/dbraw/zinc/69/56/42/428695642.db2.gz JMQVOXCUQUSGKJ-MRXNPFEDSA-N 1 0 315.417 2.602 20 10 DFCDRO CCOC(=O)C1(C)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000374786214 428753284 /nfs/dbraw/zinc/75/32/84/428753284.db2.gz YIDVVZXHLMJASB-UHFFFAOYSA-N 1 0 307.390 2.566 20 10 DFCDRO C[C@H]1Oc2c(cccc2F)[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000363532143 428937716 /nfs/dbraw/zinc/93/77/16/428937716.db2.gz GISBDODLDBHNRX-ABKXIKBNSA-N 1 0 317.316 2.872 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(-n3ccnc3)c2)c1 ZINC000363855265 428998923 /nfs/dbraw/zinc/99/89/23/428998923.db2.gz NIQYJILHWRRGBN-CYBMUJFWSA-N 1 0 324.384 2.832 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000363860070 428999382 /nfs/dbraw/zinc/99/93/82/428999382.db2.gz GEKRCBRFLBYOKE-CYBMUJFWSA-N 1 0 313.397 2.581 20 10 DFCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)C2 ZINC000363854788 429000781 /nfs/dbraw/zinc/00/07/81/429000781.db2.gz ADVIEVZWWLQCIP-QMTHXVAHSA-N 1 0 301.365 2.838 20 10 DFCDRO C[C@H]1COCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000376582681 429143299 /nfs/dbraw/zinc/14/32/99/429143299.db2.gz VHLYZJJCUYFNDK-SNVBAGLBSA-N 1 0 300.196 2.623 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1O ZINC000363905883 429138631 /nfs/dbraw/zinc/13/86/31/429138631.db2.gz GAXJADPOKZQVAC-SNVBAGLBSA-N 1 0 322.796 2.552 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)CC1CC[NH+](C)CC1 ZINC000487556596 429161038 /nfs/dbraw/zinc/16/10/38/429161038.db2.gz HCBIAUIMCDQGSU-UHFFFAOYSA-N 1 0 313.445 2.835 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000132115737 275061506 /nfs/dbraw/zinc/06/15/06/275061506.db2.gz NTUZZNVZDPHJCE-KRWDZBQOSA-N 1 0 303.789 2.969 20 10 DFCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](C)O2 ZINC000365751449 429366978 /nfs/dbraw/zinc/36/69/78/429366978.db2.gz CETDPMYZDWRYQJ-HSMVNMDESA-N 1 0 311.809 2.814 20 10 DFCDRO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000365838228 429383192 /nfs/dbraw/zinc/38/31/92/429383192.db2.gz OUYREVWIWCZCQW-GOSISDBHSA-N 1 0 301.361 2.667 20 10 DFCDRO Cc1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000366775896 429512443 /nfs/dbraw/zinc/51/24/43/429512443.db2.gz YWTMIVVCHXNRTK-RVKKMQEKSA-N 1 0 305.418 2.859 20 10 DFCDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000366807759 429517508 /nfs/dbraw/zinc/51/75/08/429517508.db2.gz IJMAHVQWERNTOP-DEYYWGMASA-N 1 0 321.417 2.559 20 10 DFCDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000366807762 429517793 /nfs/dbraw/zinc/51/77/93/429517793.db2.gz IJMAHVQWERNTOP-QWQRMKEZSA-N 1 0 321.417 2.559 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000367308717 429616949 /nfs/dbraw/zinc/61/69/49/429616949.db2.gz QSJIKNSYCSVCEJ-HOTGVXAUSA-N 1 0 314.433 2.945 20 10 DFCDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cc(OC)ccc2O)CC1(C)C ZINC000367315965 429619469 /nfs/dbraw/zinc/61/94/69/429619469.db2.gz BMRUKHLRXMMLEO-RISCZKNCSA-N 1 0 307.390 2.593 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000367321129 429621661 /nfs/dbraw/zinc/62/16/61/429621661.db2.gz CZWXKLYHJDKLHO-INIZCTEOSA-N 1 0 312.417 2.846 20 10 DFCDRO CCOc1cccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1O ZINC000527813357 429804995 /nfs/dbraw/zinc/80/49/95/429804995.db2.gz ZTZHRXXBGURFCV-UHFFFAOYSA-N 1 0 320.433 2.529 20 10 DFCDRO FC(F)(F)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)n1cccn1 ZINC000527743341 429790150 /nfs/dbraw/zinc/79/01/50/429790150.db2.gz NETKWASXLOMCLR-CQSZACIVSA-N 1 0 311.307 2.711 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1cc(Cl)ccc1O ZINC000368332344 429831304 /nfs/dbraw/zinc/83/13/04/429831304.db2.gz NHBIZYLFRPFNOI-BXUZGUMPSA-N 1 0 310.825 2.559 20 10 DFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2CC(O)C2)c1O ZINC000528018749 429836503 /nfs/dbraw/zinc/83/65/03/429836503.db2.gz PEEULGWEQFOWEF-BMQDGWLCSA-N 1 0 314.223 2.885 20 10 DFCDRO COCC[C@@H]1CCCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000368679350 429886528 /nfs/dbraw/zinc/88/65/28/429886528.db2.gz YGSGTOLJCRICEK-ZDUSSCGKSA-N 1 0 307.390 2.760 20 10 DFCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528420605 429887163 /nfs/dbraw/zinc/88/71/63/429887163.db2.gz WUHRHQVESUDZEN-MRXNPFEDSA-N 1 0 302.418 2.758 20 10 DFCDRO CN1CCC[C@@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1=O ZINC000368720117 429890043 /nfs/dbraw/zinc/89/00/43/429890043.db2.gz VKJQNPPQHPIXFG-FQEVSTJZSA-N 1 0 324.424 2.990 20 10 DFCDRO COC[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)OC ZINC000280318434 277246057 /nfs/dbraw/zinc/24/60/57/277246057.db2.gz PDROCQPNOIPGFX-CYBMUJFWSA-N 1 0 320.355 2.522 20 10 DFCDRO O=C1CCN(Cc2cccc3c2CC[NH2+]C3)c2ccccc2N1 ZINC000662254276 431015154 /nfs/dbraw/zinc/01/51/54/431015154.db2.gz GUIWTQDJECLKIJ-UHFFFAOYSA-N 1 0 307.397 2.681 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000156380683 332789865 /nfs/dbraw/zinc/78/98/65/332789865.db2.gz FNCBRTLKZHASCY-YJBOKZPZSA-N 1 0 304.434 2.743 20 10 DFCDRO Cc1cccc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1O ZINC000317236709 331638397 /nfs/dbraw/zinc/63/83/97/331638397.db2.gz DPXNAYKTIREELP-ZDUSSCGKSA-N 1 0 300.406 2.869 20 10 DFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1C ZINC000079639870 331682430 /nfs/dbraw/zinc/68/24/30/331682430.db2.gz ZPJDONCLIDLTDA-CQSZACIVSA-N 1 0 316.367 2.977 20 10 DFCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc2ccccc2c1O ZINC000278845516 332137872 /nfs/dbraw/zinc/13/78/72/332137872.db2.gz PZIQYDMIKZUEPW-ZJNRKIDTSA-N 1 0 301.386 2.736 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](O)CC2)c1O ZINC000293946108 335116048 /nfs/dbraw/zinc/11/60/48/335116048.db2.gz ILYFMKAWJUPYPG-CYBMUJFWSA-N 1 0 314.223 2.810 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+]2CCOC[C@H](C)C2)c1O ZINC000378446518 333039334 /nfs/dbraw/zinc/03/93/34/333039334.db2.gz ZLCKWTPCRSZODZ-SNVBAGLBSA-N 1 0 314.223 2.931 20 10 DFCDRO COc1ccc(N2CCN(CC[NH+]3CCC(C)CC3)CC2)cc1 ZINC000177976111 333133609 /nfs/dbraw/zinc/13/36/09/333133609.db2.gz JOVWPOYLOQFPHV-UHFFFAOYSA-N 1 0 317.477 2.549 20 10 DFCDRO CC(=O)NCCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178515749 333140187 /nfs/dbraw/zinc/14/01/87/333140187.db2.gz PALFBMZHJOHPKN-OAHLLOKOSA-N 1 0 303.450 2.854 20 10 DFCDRO CC(=O)NCCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000178515742 333140323 /nfs/dbraw/zinc/14/03/23/333140323.db2.gz PALFBMZHJOHPKN-HNNXBMFYSA-N 1 0 303.450 2.854 20 10 DFCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000114770774 333146842 /nfs/dbraw/zinc/14/68/42/333146842.db2.gz ZHTFIOWTIXICJY-CQSZACIVSA-N 1 0 306.406 2.881 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](C)CCCO)c1O ZINC000294681474 335125435 /nfs/dbraw/zinc/12/54/35/335125435.db2.gz BQLJSRZLBXKIPF-JTQLQIEISA-N 1 0 316.239 2.961 20 10 DFCDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295180750 335130613 /nfs/dbraw/zinc/13/06/13/335130613.db2.gz IPGPTYOAFMNHFC-MRXNPFEDSA-N 1 0 320.477 2.895 20 10 DFCDRO CC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)[C@H](C)CO ZINC000295270790 335134670 /nfs/dbraw/zinc/13/46/70/335134670.db2.gz ZGBXRGXVCLUVKB-OAHLLOKOSA-N 1 0 306.450 2.505 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1O ZINC000184684534 333364033 /nfs/dbraw/zinc/36/40/33/333364033.db2.gz VHEUVPMNZQLQQV-CQSZACIVSA-N 1 0 310.825 2.724 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c(O)c1 ZINC000319803963 333409046 /nfs/dbraw/zinc/40/90/46/333409046.db2.gz HUSZMLBAVPSPCA-BBRMVZONSA-N 1 0 315.417 2.618 20 10 DFCDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000296256947 335142745 /nfs/dbraw/zinc/14/27/45/335142745.db2.gz DCXVLQYSPKPFMQ-KBXCAEBGSA-N 1 0 320.502 2.736 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(O)C3)cc2)CC1 ZINC000296307083 335143418 /nfs/dbraw/zinc/14/34/18/335143418.db2.gz NCGOTEPOBAIOOI-IBGZPJMESA-N 1 0 318.461 2.649 20 10 DFCDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000297181398 335151521 /nfs/dbraw/zinc/15/15/21/335151521.db2.gz DYASXMYXTHYOIP-CABCVRRESA-N 1 0 324.440 2.722 20 10 DFCDRO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cc(F)ccc1O ZINC000297340844 335153254 /nfs/dbraw/zinc/15/32/54/335153254.db2.gz OMRDCCODMOKOJK-NHYWBVRUSA-N 1 0 307.340 2.925 20 10 DFCDRO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O)C1CC1 ZINC000275892765 334073771 /nfs/dbraw/zinc/07/37/71/334073771.db2.gz ZQXARUYJDSLHRS-QGZVFWFLSA-N 1 0 302.418 2.676 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+](C)CCCCO)c1O ZINC000276514912 334080565 /nfs/dbraw/zinc/08/05/65/334080565.db2.gz BIZYAQKQDWOXEA-UHFFFAOYSA-N 1 0 302.212 2.667 20 10 DFCDRO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C(=O)NCCF ZINC000282405844 334134478 /nfs/dbraw/zinc/13/44/78/334134478.db2.gz CACQGCZAKHJXLC-RYUDHWBXSA-N 1 0 304.365 2.670 20 10 DFCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000285418363 334147640 /nfs/dbraw/zinc/14/76/40/334147640.db2.gz GLRYUWCLKWELFF-INIZCTEOSA-N 1 0 301.386 2.786 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@H](C(=O)N(C)CC)C(C)C)c(O)c1 ZINC000295117488 334218952 /nfs/dbraw/zinc/21/89/52/334218952.db2.gz WBBZSJUGEDCKJF-KRWDZBQOSA-N 1 0 322.449 2.774 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000352136308 336196199 /nfs/dbraw/zinc/19/61/99/336196199.db2.gz XVLCNZMBVZJHMC-KBPBESRZSA-N 1 0 313.445 2.976 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000367373615 336733461 /nfs/dbraw/zinc/73/34/61/336733461.db2.gz XNLDAZNZLLERIP-OAHLLOKOSA-N 1 0 302.418 2.788 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C23CCC3)cc1OC ZINC000368033590 336836012 /nfs/dbraw/zinc/83/60/12/336836012.db2.gz GTIALFLKLRGMNK-SSKCKEOISA-N 1 0 321.417 2.703 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000371835159 336914242 /nfs/dbraw/zinc/91/42/42/336914242.db2.gz QUECJDBRESVNRM-CGTJXYLNSA-N 1 0 318.461 2.995 20 10 DFCDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cncs2)C1 ZINC000374137922 336982096 /nfs/dbraw/zinc/98/20/96/336982096.db2.gz KVHWTGNIQRXOPW-NPQIQWPPSA-N 1 0 313.426 2.676 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(C)cc1O ZINC000374506248 336991004 /nfs/dbraw/zinc/99/10/04/336991004.db2.gz PPNXMAIYZTXOKX-HRCADAONSA-N 1 0 302.418 2.895 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(N(C)C)cc1 ZINC000374525996 336991537 /nfs/dbraw/zinc/99/15/37/336991537.db2.gz DIMCVSSKDADOFR-QILLFSRXSA-N 1 0 304.434 2.741 20 10 DFCDRO COCCn1ncc2c1[C@@H]([NH2+][C@@H](C)c1ccccc1O)CCC2 ZINC000375198498 337005712 /nfs/dbraw/zinc/00/57/12/337005712.db2.gz WXESNOGDAHJSDV-BBRMVZONSA-N 1 0 315.417 2.963 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3CO)CC2)cc1 ZINC000305114804 337013736 /nfs/dbraw/zinc/01/37/36/337013736.db2.gz HMYSMEGPEWXSTR-KXBFYZLASA-N 1 0 318.461 2.805 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1O ZINC000376147100 337028326 /nfs/dbraw/zinc/02/83/26/337028326.db2.gz YQPVYKGBSIEYHG-LSDHHAIUSA-N 1 0 317.433 2.723 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccncn2)C1)c1ccccc1O ZINC000376323013 337031373 /nfs/dbraw/zinc/03/13/73/337031373.db2.gz SKBZWRAIARIONQ-HOCLYGCPSA-N 1 0 312.417 2.892 20 10 DFCDRO CC[C@@H]1C[N@@H+]([C@H](C)c2cc(OC)ccc2O)C[C@@]2(CCOC2)O1 ZINC000377699288 337058988 /nfs/dbraw/zinc/05/89/88/337058988.db2.gz QREQMFZYWZTCDJ-HBUWYVDXSA-N 1 0 321.417 2.732 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1O ZINC000377882096 337063226 /nfs/dbraw/zinc/06/32/26/337063226.db2.gz CPLCGAQGYAACPN-NSHDSACASA-N 1 0 321.808 2.777 20 10 DFCDRO Cc1ncc(/C=C/C(=O)N2CCCc3cc(C[NH3+])ccc32)s1 ZINC000378187661 337068042 /nfs/dbraw/zinc/06/80/42/337068042.db2.gz OHYQJZQZQPGREJ-FNORWQNLSA-N 1 0 313.426 2.903 20 10 DFCDRO Cc1cccc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000179859488 337172278 /nfs/dbraw/zinc/17/22/78/337172278.db2.gz MDGYXWIPFAVWBB-JZXOWHBKSA-N 1 0 318.461 2.774 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000179981393 337172998 /nfs/dbraw/zinc/17/29/98/337172998.db2.gz CZEFTAKIRJSNIV-UHFFFAOYSA-N 1 0 301.390 2.514 20 10 DFCDRO Oc1ccc(F)cc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000180011247 337173105 /nfs/dbraw/zinc/17/31/05/337173105.db2.gz JQUQCYJUSXFKLI-MRXNPFEDSA-N 1 0 309.381 2.691 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccccc1O ZINC000183552785 337192110 /nfs/dbraw/zinc/19/21/10/337192110.db2.gz CXHNAELIQSOMCL-STQMWFEESA-N 1 0 301.365 2.856 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c(O)c1 ZINC000185553069 337249084 /nfs/dbraw/zinc/24/90/84/337249084.db2.gz RJNZIYCHAYJKQU-GJZGRUSLSA-N 1 0 314.433 2.754 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000185585544 337249123 /nfs/dbraw/zinc/24/91/23/337249123.db2.gz RANAGQZVLKQRHW-NEPJUHHUSA-N 1 0 316.405 2.740 20 10 DFCDRO CCN(CC)[C@@H](C)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000127572684 337421445 /nfs/dbraw/zinc/42/14/45/337421445.db2.gz UYAZSSSVRLGLAW-INIZCTEOSA-N 1 0 319.493 2.984 20 10 DFCDRO C[C@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO[C@@H]1C1CC1 ZINC000359973350 337441131 /nfs/dbraw/zinc/44/11/31/337441131.db2.gz KRRSFXTXTAAPHB-MOPGFXCFSA-N 1 0 316.445 2.570 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000286876519 337616019 /nfs/dbraw/zinc/61/60/19/337616019.db2.gz HXMALNGKISYOSL-OCCSQVGLSA-N 1 0 302.340 2.952 20 10 DFCDRO COc1ccc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1C ZINC000527806987 337765241 /nfs/dbraw/zinc/76/52/41/337765241.db2.gz OCEWGTPPZFUNAG-KRWDZBQOSA-N 1 0 310.397 2.920 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000092618208 337906725 /nfs/dbraw/zinc/90/67/25/337906725.db2.gz GASQXZSNPUHBRB-UHFFFAOYSA-N 1 0 301.390 2.825 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000237218427 340669040 /nfs/dbraw/zinc/66/90/40/340669040.db2.gz RSRSXEZSFAWTKV-SJORKVTESA-N 1 0 315.461 2.763 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2nnc3n2CCCCC3)c1 ZINC000316320425 340680388 /nfs/dbraw/zinc/68/03/88/340680388.db2.gz YZAKPLSZUWLZKC-CYBMUJFWSA-N 1 0 300.406 2.869 20 10 DFCDRO COc1cc(O)c(C[NH+]2CC(Cc3ccco3)C2)cc1OC ZINC000529648451 340766537 /nfs/dbraw/zinc/76/65/37/340766537.db2.gz FAKQYVLOOWHAMY-UHFFFAOYSA-N 1 0 303.358 2.677 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000273419097 341635681 /nfs/dbraw/zinc/63/56/81/341635681.db2.gz RTYQTGIYXPZVFR-NHYWBVRUSA-N 1 0 301.390 2.863 20 10 DFCDRO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000236876700 520259178 /nfs/dbraw/zinc/25/91/78/520259178.db2.gz HACXDYDELBHDQQ-UHFFFAOYSA-N 1 0 311.429 2.579 20 10 DFCDRO CCOC(=O)CC1CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000159096456 520615392 /nfs/dbraw/zinc/61/53/92/520615392.db2.gz MFPOAOLYXBOHMT-UHFFFAOYSA-N 1 0 321.417 2.956 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](C)CC2(O)CCOCC2)cc1F ZINC000188834034 520892952 /nfs/dbraw/zinc/89/29/52/520892952.db2.gz KPNPNSIHEYHQDG-UHFFFAOYSA-N 1 0 324.440 2.645 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OCCOC)C2)cc1 ZINC000188811778 520894451 /nfs/dbraw/zinc/89/44/51/520894451.db2.gz LDPDVSJYTZZPSB-SFHVURJKSA-N 1 0 306.450 2.770 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000236675297 521041791 /nfs/dbraw/zinc/04/17/91/521041791.db2.gz AGOGTTJNALAAIA-IBGZPJMESA-N 1 0 315.461 2.539 20 10 DFCDRO CCOc1cccc(C[NH+]2CCN(c3ccccn3)CC2)c1O ZINC000158889279 521342262 /nfs/dbraw/zinc/34/22/62/521342262.db2.gz HUVPNHVLIUPYCX-UHFFFAOYSA-N 1 0 313.401 2.508 20 10 DFCDRO CCOC1CC(CC[NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000187978105 521644451 /nfs/dbraw/zinc/64/44/51/521644451.db2.gz QWPFAMJAIHDNOZ-UHFFFAOYSA-N 1 0 309.406 2.704 20 10 DFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000157191720 521650734 /nfs/dbraw/zinc/65/07/34/521650734.db2.gz GBYRXNHFGKETBA-INIZCTEOSA-N 1 0 303.450 2.620 20 10 DFCDRO COCCOc1ncccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000264952251 521756187 /nfs/dbraw/zinc/75/61/87/521756187.db2.gz LDRXVLMHERJGOT-UHFFFAOYSA-N 1 0 322.792 2.756 20 10 DFCDRO C[NH+](C)CC[C@@H](NC(=O)NCc1ccccc1O)C(C)(C)C ZINC000265335173 521807773 /nfs/dbraw/zinc/80/77/73/521807773.db2.gz XXNDKXWFVABVOP-OAHLLOKOSA-N 1 0 307.438 2.558 20 10 DFCDRO COCC[C@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265289661 522001397 /nfs/dbraw/zinc/00/13/97/522001397.db2.gz ZBQMSFXKQKZDTE-IBGZPJMESA-N 1 0 315.413 2.936 20 10 DFCDRO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000268876985 522423065 /nfs/dbraw/zinc/42/30/65/522423065.db2.gz HJQAEHVSRYGSNX-YJBOKZPZSA-N 1 0 306.450 2.725 20 10 DFCDRO COC(=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000188669370 522830623 /nfs/dbraw/zinc/83/06/23/522830623.db2.gz VQDFSSDTBXFHPU-UHFFFAOYSA-N 1 0 302.418 2.720 20 10 DFCDRO COC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H](C)O1 ZINC000190212271 522868471 /nfs/dbraw/zinc/86/84/71/522868471.db2.gz CQBLTNRTPCEAJE-DZGCQCFKSA-N 1 0 301.386 2.781 20 10 DFCDRO COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H](C)C[NH3+])c2C)cc1 ZINC000237303690 523314000 /nfs/dbraw/zinc/31/40/00/523314000.db2.gz XHSSPXFBFNDNTL-CYBMUJFWSA-N 1 0 315.417 2.522 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCN(c3nccs3)CC2)c1O ZINC000179849372 524394227 /nfs/dbraw/zinc/39/42/27/524394227.db2.gz ONQCJFFCKNVRLZ-UHFFFAOYSA-N 1 0 303.431 2.869 20 10 DFCDRO COc1ccccc1C[N@H+](CCO)Cc1cc(F)ccc1O ZINC000179940045 524440758 /nfs/dbraw/zinc/44/07/58/524440758.db2.gz BJPOWFBZKWKCRM-UHFFFAOYSA-N 1 0 305.349 2.534 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1 ZINC000182101020 524752802 /nfs/dbraw/zinc/75/28/02/524752802.db2.gz OIKBWYKGOZHXNT-AOMKIAJQSA-N 1 0 319.426 2.610 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000182635755 524755337 /nfs/dbraw/zinc/75/53/37/524755337.db2.gz WAYNSAWMAOASHR-XJKSGUPXSA-N 1 0 309.431 2.545 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000182447891 524771599 /nfs/dbraw/zinc/77/15/99/524771599.db2.gz GYZUWOBAJZGPDY-UGSOOPFHSA-N 1 0 301.386 2.959 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000264943674 525345127 /nfs/dbraw/zinc/34/51/27/525345127.db2.gz HMZFYVHRYODRAW-UHFFFAOYSA-N 1 0 318.461 2.825 20 10 DFCDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000128769159 525352783 /nfs/dbraw/zinc/35/27/83/525352783.db2.gz DLTMETFFQZXNSR-IBGZPJMESA-N 1 0 314.429 2.975 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc(Br)ccc1O ZINC000189299762 525486285 /nfs/dbraw/zinc/48/62/85/525486285.db2.gz XRFVKVGFPTUMQK-FOGDFJRCSA-N 1 0 314.223 2.966 20 10 DFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N(C)C ZINC000189004972 525531216 /nfs/dbraw/zinc/53/12/16/525531216.db2.gz NCVRAUIXXNVARH-KBPBESRZSA-N 1 0 321.440 2.943 20 10 DFCDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1cc(Br)ccc1O ZINC000181013582 525554968 /nfs/dbraw/zinc/55/49/68/525554968.db2.gz RHMNMDGMLCOVQB-SECBINFHSA-N 1 0 310.195 2.739 20 10 DFCDRO COc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1O ZINC000126495529 525945234 /nfs/dbraw/zinc/94/52/34/525945234.db2.gz ZMXPTSPXZGUNHL-UHFFFAOYSA-N 1 0 304.434 2.851 20 10 DFCDRO COc1cccc(C[NH2+]Cc2cccc(OC)c2OC)c1O ZINC000237223813 526025938 /nfs/dbraw/zinc/02/59/38/526025938.db2.gz YYWVFGHETKMTEW-UHFFFAOYSA-N 1 0 303.358 2.708 20 10 DFCDRO COc1cccc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000267184868 526036919 /nfs/dbraw/zinc/03/69/19/526036919.db2.gz LCDSMFMNTVSFLH-BZNIZROVSA-N 1 0 305.349 2.752 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1O ZINC000191180032 526158193 /nfs/dbraw/zinc/15/81/93/526158193.db2.gz PIGYLXQRPAQMMT-RNCFNFMXSA-N 1 0 314.223 2.666 20 10 DFCDRO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC000182943108 526333887 /nfs/dbraw/zinc/33/38/87/526333887.db2.gz XVUPLQILBFQKNV-KRWDZBQOSA-N 1 0 313.397 2.928 20 10 DFCDRO O=C(c1cccc(O)c1O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000364830789 526772411 /nfs/dbraw/zinc/77/24/11/526772411.db2.gz QUIMQWXMEFGHRC-AWEZNQCLSA-N 1 0 318.417 2.578 20 10 DFCDRO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)no1 ZINC000179999604 526919641 /nfs/dbraw/zinc/91/96/41/526919641.db2.gz LVKNOUYNYDOEMF-AWEZNQCLSA-N 1 0 301.390 2.847 20 10 DFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000158067606 527025520 /nfs/dbraw/zinc/02/55/20/527025520.db2.gz IZHYPRRHGKWZEK-AWEZNQCLSA-N 1 0 308.809 2.536 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1O ZINC000273140166 535458787 /nfs/dbraw/zinc/45/87/87/535458787.db2.gz OLSRLXSMTPTKBJ-KRWDZBQOSA-N 1 0 315.413 2.874 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)[C@@]12CCCO2 ZINC000274184176 535513239 /nfs/dbraw/zinc/51/32/39/535513239.db2.gz JCUGWPHBNUJCQG-UQCMEYCASA-N 1 0 309.381 2.909 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000289365664 535684874 /nfs/dbraw/zinc/68/48/74/535684874.db2.gz KUKKWLBMMWWGRQ-LJQANCHMSA-N 1 0 318.461 2.914 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC2(O)CCOCC2)cc1 ZINC000287625469 535765247 /nfs/dbraw/zinc/76/52/47/535765247.db2.gz TWXUAAFYHZADMP-HNNXBMFYSA-N 1 0 306.450 2.725 20 10 DFCDRO COCCOc1ncccc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000273439458 536742444 /nfs/dbraw/zinc/74/24/44/536742444.db2.gz XZHZHRLRGAHUMQ-GFCCVEGCSA-N 1 0 320.364 2.802 20 10 DFCDRO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1O ZINC000736194613 599318645 /nfs/dbraw/zinc/31/86/45/599318645.db2.gz BXHJUQBQDOKPRZ-GFCCVEGCSA-N 1 0 309.373 2.765 20 10 DFCDRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1O ZINC000825139381 608522436 /nfs/dbraw/zinc/52/24/36/608522436.db2.gz FPIALXSKTXQCLY-HNNXBMFYSA-N 1 0 309.373 2.813 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[NH2+]C2(C(N)=O)CCCCC2)c1O ZINC000088545497 185257139 /nfs/dbraw/zinc/25/71/39/185257139.db2.gz GNZQTEOVPHRWTG-UHFFFAOYSA-N 1 0 324.808 2.526 20 10 DFCDRO CCN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1C ZINC000592475576 398431213 /nfs/dbraw/zinc/43/12/13/398431213.db2.gz AYRORVNEQNBZKB-AWEZNQCLSA-N 1 0 312.417 2.694 20 10 DFCDRO CC1(C)CN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccccc21 ZINC000592536369 398444089 /nfs/dbraw/zinc/44/40/89/398444089.db2.gz AXTUTACAXQRBAS-ZDUSSCGKSA-N 1 0 324.428 2.657 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCN(c3ncccc3F)CC2)cc1C ZINC000090184552 398484107 /nfs/dbraw/zinc/48/41/07/398484107.db2.gz GJTAGVYACZKDJL-UHFFFAOYSA-N 1 0 315.392 2.865 20 10 DFCDRO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000043593225 398626171 /nfs/dbraw/zinc/62/61/71/398626171.db2.gz LKUASECHZGESSU-SFHVURJKSA-N 1 0 324.424 2.682 20 10 DFCDRO CO[C@@H](C[NH2+]Cc1cc(Br)ccc1O)C(C)C ZINC000072924654 398648306 /nfs/dbraw/zinc/64/83/06/398648306.db2.gz UGILYKASYQDJHN-ZDUSSCGKSA-N 1 0 302.212 2.915 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000368804751 398652210 /nfs/dbraw/zinc/65/22/10/398652210.db2.gz GDJAVOXVXROVFC-CQSZACIVSA-N 1 0 320.458 2.841 20 10 DFCDRO COc1ccc(N2CC[NH+](CCc3ccccn3)CC2)cc1F ZINC000084866871 192471114 /nfs/dbraw/zinc/47/11/14/192471114.db2.gz FOFLGMARXGEKEB-UHFFFAOYSA-N 1 0 315.392 2.594 20 10 DFCDRO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000091832120 193113875 /nfs/dbraw/zinc/11/38/75/193113875.db2.gz KJOXSVHFSIBUID-OAHLLOKOSA-N 1 0 300.406 2.824 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000093413520 193246019 /nfs/dbraw/zinc/24/60/19/193246019.db2.gz ZIOBTVHAKZGYRI-MRXNPFEDSA-N 1 0 311.429 2.974 20 10 DFCDRO Cc1cc(C(=O)N2CCC[NH2+]CC2)c(C)n1-c1ccc(F)cc1 ZINC000178361158 291693358 /nfs/dbraw/zinc/69/33/58/291693358.db2.gz MWOKRCIEEJYQHH-UHFFFAOYSA-N 1 0 315.392 2.669 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@H]3CCOC3(C)C)cc2)CC1 ZINC000295281814 284775095 /nfs/dbraw/zinc/77/50/95/284775095.db2.gz SSILFTKLCLYXIQ-SFHVURJKSA-N 1 0 318.461 2.959 20 10 DFCDRO CC[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106702840 194245196 /nfs/dbraw/zinc/24/51/96/194245196.db2.gz HKEXWRNWCHBHMG-CQSZACIVSA-N 1 0 321.440 2.630 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271447383 129915546 /nfs/dbraw/zinc/91/55/46/129915546.db2.gz FDKWFNQLYGDKPE-OCCSQVGLSA-N 1 0 310.438 2.818 20 10 DFCDRO Cc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(O)c1O ZINC000272815742 130066406 /nfs/dbraw/zinc/06/64/06/130066406.db2.gz NZCMOZIESAFGKW-CYBMUJFWSA-N 1 0 320.414 2.500 20 10 DFCDRO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccc1C ZINC000273032957 130083404 /nfs/dbraw/zinc/08/34/04/130083404.db2.gz NGEFLJKKLFNIAG-MRXNPFEDSA-N 1 0 311.429 2.742 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)CC1CC[NH+](C)CC1 ZINC000273190843 130096669 /nfs/dbraw/zinc/09/66/69/130096669.db2.gz ICFRGVWUWPDEFW-UHFFFAOYSA-N 1 0 304.434 2.863 20 10 DFCDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000273344711 130109455 /nfs/dbraw/zinc/10/94/55/130109455.db2.gz AIZZPGMLYVGWHD-YJYMSZOUSA-N 1 0 319.445 2.709 20 10 DFCDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000273500280 130128766 /nfs/dbraw/zinc/12/87/66/130128766.db2.gz YPSVFEWJKJGJID-NSHDSACASA-N 1 0 300.406 2.591 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000273510230 130131020 /nfs/dbraw/zinc/13/10/20/130131020.db2.gz RNCUDIZURILRAP-QOKNQOGYSA-N 1 0 315.413 2.836 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273539568 130133886 /nfs/dbraw/zinc/13/38/86/130133886.db2.gz YBANJHQBBVDFQJ-IUODEOHRSA-N 1 0 319.376 2.794 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)[C@]12CCCO2 ZINC000274184169 130214176 /nfs/dbraw/zinc/21/41/76/130214176.db2.gz JCUGWPHBNUJCQG-GLZXHMCRSA-N 1 0 309.381 2.909 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+]CCc2cn3c(n2)SCC3)c1O ZINC000274406852 130233062 /nfs/dbraw/zinc/23/30/62/130233062.db2.gz LKGUKBFJHJVIKP-UHFFFAOYSA-N 1 0 323.849 2.989 20 10 DFCDRO CC[C@H]([NH2+]CCCOCCOCCOC)c1ccccc1O ZINC000274767542 130261011 /nfs/dbraw/zinc/26/10/11/130261011.db2.gz LRJOOQBSQRTTDX-INIZCTEOSA-N 1 0 311.422 2.503 20 10 DFCDRO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O)C1CC1 ZINC000275580037 130340650 /nfs/dbraw/zinc/34/06/50/130340650.db2.gz HHCRMMXCQVTBPO-MRXNPFEDSA-N 1 0 306.381 2.507 20 10 DFCDRO CCOCc1cc(C[NH2+]CC2(N(C)C)CCC2)ccc1OC ZINC000275676230 130361023 /nfs/dbraw/zinc/36/10/23/130361023.db2.gz YCCVIKGJEJLPQV-UHFFFAOYSA-N 1 0 306.450 2.806 20 10 DFCDRO COc1ccc(N2CC[NH+](C[C@H]3CCSC3)CC2)cc1F ZINC000278441509 130692171 /nfs/dbraw/zinc/69/21/71/130692171.db2.gz LSAAWMJKQWJLBG-CYBMUJFWSA-N 1 0 310.438 2.709 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)C(C)(C)n1cncn1 ZINC000284036009 131042562 /nfs/dbraw/zinc/04/25/62/131042562.db2.gz JNQDVNXWSLRAAY-AWEZNQCLSA-N 1 0 313.449 2.574 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1 ZINC000284502554 131086193 /nfs/dbraw/zinc/08/61/93/131086193.db2.gz CQWBVTRERWOEDK-GUDVDZBRSA-N 1 0 318.461 2.505 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCCCS(C)(=O)=O)c(O)c1 ZINC000285084235 131136617 /nfs/dbraw/zinc/13/66/17/131136617.db2.gz JQXALJBHRZZBGM-AWEZNQCLSA-N 1 0 313.463 2.875 20 10 DFCDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1C ZINC000285532637 131178428 /nfs/dbraw/zinc/17/84/28/131178428.db2.gz PWNGIFJERWVFSE-RHSMWYFYSA-N 1 0 304.434 2.787 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@](F)(CO)C2)c1O ZINC000286930633 131256889 /nfs/dbraw/zinc/25/68/89/131256889.db2.gz NHXWIXLTIRJUGZ-HNNXBMFYSA-N 1 0 315.772 2.545 20 10 DFCDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1cc2c(cc1O)CCCC2 ZINC000287257606 131271333 /nfs/dbraw/zinc/27/13/33/131271333.db2.gz IIEAHSIXGNABRJ-ZDUSSCGKSA-N 1 0 307.434 2.709 20 10 DFCDRO COc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000289479127 131389730 /nfs/dbraw/zinc/38/97/30/131389730.db2.gz QGXNIDVSVCRUFI-UHFFFAOYSA-N 1 0 302.330 2.907 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000289538072 131394842 /nfs/dbraw/zinc/39/48/42/131394842.db2.gz WOGKJDVZGUHPJD-NSHDSACASA-N 1 0 303.358 2.966 20 10 DFCDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1C ZINC000120376589 132142109 /nfs/dbraw/zinc/14/21/09/132142109.db2.gz OZUWAJAJFTXQRA-MRXNPFEDSA-N 1 0 311.429 2.884 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C12CCOCC2 ZINC000296459088 286290383 /nfs/dbraw/zinc/29/03/83/286290383.db2.gz NSOLWTRELUZFJD-DJIMGWMZSA-N 1 0 317.429 2.943 20 10 DFCDRO COCc1cccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000063256000 425900196 /nfs/dbraw/zinc/90/01/96/425900196.db2.gz CFYAUXZTABZKTE-UHFFFAOYSA-N 1 0 301.342 2.557 20 10 DFCDRO C[N@H+](CCC(=O)N1CCc2ccccc21)Cc1ccccc1O ZINC000109772653 426032535 /nfs/dbraw/zinc/03/25/35/426032535.db2.gz YAIVRVHLOSMIEG-UHFFFAOYSA-N 1 0 310.397 2.803 20 10 DFCDRO C[C@@H](C1CC1)N(C(=O)C[N@H+](C)Cc1ccccc1O)C1CC1 ZINC000111236194 426038601 /nfs/dbraw/zinc/03/86/01/426038601.db2.gz WQCGULARRFTMML-ZDUSSCGKSA-N 1 0 302.418 2.614 20 10 DFCDRO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000111236464 426039833 /nfs/dbraw/zinc/03/98/33/426039833.db2.gz WPIFGUOGGOEJQR-QGZVFWFLSA-N 1 0 315.413 2.881 20 10 DFCDRO CCn1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000112097554 426064835 /nfs/dbraw/zinc/06/48/35/426064835.db2.gz KNYQQPLBHSAOTM-HNNXBMFYSA-N 1 0 314.433 2.590 20 10 DFCDRO CC(C)[N@H+](C)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295961 426012968 /nfs/dbraw/zinc/01/29/68/426012968.db2.gz VKHFGZOPJJFUST-UHFFFAOYSA-N 1 0 317.477 2.879 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1F ZINC000077460928 426134428 /nfs/dbraw/zinc/13/44/28/426134428.db2.gz BBBFQADJHDUCPA-MRXNPFEDSA-N 1 0 308.422 2.951 20 10 DFCDRO C[C@@H](C(=O)NCCc1cccs1)[N@H+](C)Cc1ccccc1O ZINC000114721351 426143221 /nfs/dbraw/zinc/14/32/21/426143221.db2.gz LTBVFGNVQQMTOX-ZDUSSCGKSA-N 1 0 318.442 2.633 20 10 DFCDRO Oc1ccccc1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000170790711 426151315 /nfs/dbraw/zinc/15/13/15/426151315.db2.gz VGABASBDQUTSNC-HNNXBMFYSA-N 1 0 311.303 2.932 20 10 DFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cccs1 ZINC000171112521 426170064 /nfs/dbraw/zinc/17/00/64/426170064.db2.gz ZGGIXZLJYGNXKE-ZDUSSCGKSA-N 1 0 317.458 2.781 20 10 DFCDRO COc1cccc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1O ZINC000136044653 426233638 /nfs/dbraw/zinc/23/36/38/426233638.db2.gz PRQJNIQNEFZDHD-UHFFFAOYSA-N 1 0 320.433 2.575 20 10 DFCDRO CN(Cc1cccs1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000174854143 426267365 /nfs/dbraw/zinc/26/73/65/426267365.db2.gz XSPIZRPXXGOLSV-UHFFFAOYSA-N 1 0 304.415 2.544 20 10 DFCDRO C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000089546053 426296460 /nfs/dbraw/zinc/29/64/60/426296460.db2.gz SYYJLXKJORYWIN-CQSZACIVSA-N 1 0 311.429 2.745 20 10 DFCDRO C[N@H+](CCCCCCO)Cc1ccc(N2CCOCC2)cc1 ZINC000175741624 426325453 /nfs/dbraw/zinc/32/54/53/426325453.db2.gz JCYKBRPYLVIPKH-UHFFFAOYSA-N 1 0 306.450 2.508 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)CSC)cc1F ZINC000152294830 426336181 /nfs/dbraw/zinc/33/61/81/426336181.db2.gz AZGMSGZFMCMIGS-MRXNPFEDSA-N 1 0 314.470 2.876 20 10 DFCDRO COc1ccc(OCC[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000119359196 426282113 /nfs/dbraw/zinc/28/21/13/426282113.db2.gz VDXWMIWSFMIYNJ-UHFFFAOYSA-N 1 0 317.385 2.920 20 10 DFCDRO COCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152769220 426352911 /nfs/dbraw/zinc/35/29/11/426352911.db2.gz IOEKZKITANTKSA-KBPBESRZSA-N 1 0 310.413 2.738 20 10 DFCDRO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000093734192 426359005 /nfs/dbraw/zinc/35/90/05/426359005.db2.gz TWFIOZUVMXCVHL-OAHLLOKOSA-N 1 0 311.429 2.801 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCSC2)cc1F ZINC000176754203 426412014 /nfs/dbraw/zinc/41/20/14/426412014.db2.gz SRVKHRUININIJT-MRXNPFEDSA-N 1 0 312.454 2.630 20 10 DFCDRO COCCOCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000153986240 426417219 /nfs/dbraw/zinc/41/72/19/426417219.db2.gz WRLSCMQKUWXMOL-INIZCTEOSA-N 1 0 306.450 2.991 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1F ZINC000123689298 426447382 /nfs/dbraw/zinc/44/73/82/426447382.db2.gz DXWHQSBQKGAZPO-KGLIPLIRSA-N 1 0 320.330 2.779 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1F ZINC000123689509 426447776 /nfs/dbraw/zinc/44/77/76/426447776.db2.gz DXWHQSBQKGAZPO-KBPBESRZSA-N 1 0 320.330 2.779 20 10 DFCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186356154 426513027 /nfs/dbraw/zinc/51/30/27/426513027.db2.gz YXFLGFYTDVXIBY-HOCLYGCPSA-N 1 0 322.449 2.529 20 10 DFCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000186462851 426531371 /nfs/dbraw/zinc/53/13/71/426531371.db2.gz UEBKXQZSVQMVNG-DZGCQCFKSA-N 1 0 305.422 2.634 20 10 DFCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)C12CCOCC2 ZINC000186455973 426531816 /nfs/dbraw/zinc/53/18/16/426531816.db2.gz NEVXNQJZOWDNPL-HOTGVXAUSA-N 1 0 309.381 2.595 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000177876232 426532333 /nfs/dbraw/zinc/53/23/33/426532333.db2.gz WEGBWPIMMCWHHM-QAPCUYQASA-N 1 0 315.461 2.996 20 10 DFCDRO C[C@H]([NH2+]CC1(C)OCCO1)c1cc(Br)ccc1O ZINC000186211387 426493982 /nfs/dbraw/zinc/49/39/82/426493982.db2.gz OQYFQUMBWAQYMG-VIFPVBQESA-N 1 0 316.195 2.568 20 10 DFCDRO CCN(CC)c1ccc(CN2CCOC[C@]23CCOC3)cc1F ZINC000195014078 426497907 /nfs/dbraw/zinc/49/79/07/426497907.db2.gz DWYADHVGQCKMER-GOSISDBHSA-N 1 0 322.424 2.663 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1F ZINC000280132135 426502695 /nfs/dbraw/zinc/50/26/95/426502695.db2.gz OZMYPIFXSLYRBQ-OAHLLOKOSA-N 1 0 302.397 2.792 20 10 DFCDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000219069382 426570990 /nfs/dbraw/zinc/57/09/90/426570990.db2.gz OCVJJOWECVLJIR-PBHICJAKSA-N 1 0 308.491 2.879 20 10 DFCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000280418747 426572710 /nfs/dbraw/zinc/57/27/10/426572710.db2.gz ZATGTEUJJIMDPG-IBGZPJMESA-N 1 0 310.397 2.757 20 10 DFCDRO Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000280501661 426587151 /nfs/dbraw/zinc/58/71/51/426587151.db2.gz DWUVUAVHOPCZFQ-LJQANCHMSA-N 1 0 323.440 2.694 20 10 DFCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280529129 426592375 /nfs/dbraw/zinc/59/23/75/426592375.db2.gz RMAMAJFBAKYFOA-WQGACYEGSA-N 1 0 311.809 2.814 20 10 DFCDRO CC[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000178493966 426640720 /nfs/dbraw/zinc/64/07/20/426640720.db2.gz SOBQNQACQXGJNC-WMLDXEAASA-N 1 0 303.450 2.804 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2ccccc2)c1O ZINC000187422691 426659788 /nfs/dbraw/zinc/65/97/88/426659788.db2.gz URLSQHDCDXWVOD-OAHLLOKOSA-N 1 0 321.804 2.747 20 10 DFCDRO CCN1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000227435045 426625305 /nfs/dbraw/zinc/62/53/05/426625305.db2.gz CABXDEKEIYBNNZ-UHFFFAOYSA-N 1 0 313.239 2.729 20 10 DFCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H]1CCCO1 ZINC000227437270 426627233 /nfs/dbraw/zinc/62/72/33/426627233.db2.gz UBMCUENCELMYPY-ZANVPECISA-N 1 0 300.196 2.812 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178430687 426629704 /nfs/dbraw/zinc/62/97/04/426629704.db2.gz HMAWWMLARDGWBX-HUUCEWRRSA-N 1 0 322.424 2.740 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1O ZINC000290158975 426705020 /nfs/dbraw/zinc/70/50/20/426705020.db2.gz LRCDTYLUZFROEZ-YOEHRIQHSA-N 1 0 319.788 2.938 20 10 DFCDRO C[C@H](CCO)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280971160 426696887 /nfs/dbraw/zinc/69/68/87/426696887.db2.gz TUBRSSLLKUIICT-LLVKDONJSA-N 1 0 304.356 2.880 20 10 DFCDRO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccccc1O ZINC000245792435 426772523 /nfs/dbraw/zinc/77/25/23/426772523.db2.gz CPNYRMNCKWGCNA-ZNMIVQPWSA-N 1 0 304.434 2.717 20 10 DFCDRO CCCCNC(=O)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000179331404 426779693 /nfs/dbraw/zinc/77/96/93/426779693.db2.gz YVUJJZVXVMCGLZ-UHFFFAOYSA-N 1 0 304.434 2.829 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnn(CCOC)c2)cc1 ZINC000266180794 426722806 /nfs/dbraw/zinc/72/28/06/426722806.db2.gz GFNQHUUMFQYMTN-UHFFFAOYSA-N 1 0 316.449 2.666 20 10 DFCDRO COc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1O ZINC000281660818 426738290 /nfs/dbraw/zinc/73/82/90/426738290.db2.gz CIVOYQDMAPLBSI-HZPDHXFCSA-N 1 0 317.360 2.848 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1 ZINC000281670629 426740638 /nfs/dbraw/zinc/74/06/38/426740638.db2.gz DHZNRATZMWKJFC-NVXWUHKLSA-N 1 0 317.360 2.848 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281764722 426761659 /nfs/dbraw/zinc/76/16/59/426761659.db2.gz LSWZSKQTDORETA-CVEARBPZSA-N 1 0 305.324 2.978 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1 ZINC000246134852 426801763 /nfs/dbraw/zinc/80/17/63/426801763.db2.gz KZRJIJHVKPORLD-QILLFSRXSA-N 1 0 321.417 2.559 20 10 DFCDRO Cc1nc(N2CC[NH+](Cc3ccccc3O)CC2)sc1C ZINC000179580470 426802848 /nfs/dbraw/zinc/80/28/48/426802848.db2.gz PHBOKFCIRRCEKN-UHFFFAOYSA-N 1 0 303.431 2.788 20 10 DFCDRO COC[C@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000179642147 426808222 /nfs/dbraw/zinc/80/82/22/426808222.db2.gz OMVWYUSGWUTAGD-MAUKXSAKSA-N 1 0 315.413 2.963 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000290832874 426850559 /nfs/dbraw/zinc/85/05/59/426850559.db2.gz HSARZAOQAQPSDD-DLBZAZTESA-N 1 0 303.402 2.934 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)c1sccc1C[NH+](C)C ZINC000268121891 426918635 /nfs/dbraw/zinc/91/86/35/426918635.db2.gz VABUVBSZIDUFCB-UHFFFAOYSA-N 1 0 304.415 2.788 20 10 DFCDRO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)c1 ZINC000291026767 426873079 /nfs/dbraw/zinc/87/30/79/426873079.db2.gz YDXMPZBARBIIDZ-HNNXBMFYSA-N 1 0 302.397 2.844 20 10 DFCDRO CC(C)OCc1nc([C@@H](C)NCc2ccc3c(c2)CCO3)no1 ZINC000290949152 426873275 /nfs/dbraw/zinc/87/32/75/426873275.db2.gz QLVBZLPGSJOSIF-GFCCVEGCSA-N 1 0 317.389 2.780 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)cc1OC ZINC000291463201 426889107 /nfs/dbraw/zinc/88/91/07/426889107.db2.gz DHPQJPHHKFCKCS-SNVBAGLBSA-N 1 0 301.333 2.887 20 10 DFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)C[NH+](C)C)cc2Cl)C1 ZINC000282374217 426894403 /nfs/dbraw/zinc/89/44/03/426894403.db2.gz YITWCQZURADBJH-CYBMUJFWSA-N 1 0 323.868 2.754 20 10 DFCDRO COC(=O)c1cnc(SCCC[NH+]2CCCCC2)s1 ZINC000295291165 426894432 /nfs/dbraw/zinc/89/44/32/426894432.db2.gz LLNRKNHYTLGFRB-UHFFFAOYSA-N 1 0 300.449 2.898 20 10 DFCDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(C)c(C)cc3O)[C@@H]2C1 ZINC000247050152 426897715 /nfs/dbraw/zinc/89/77/15/426897715.db2.gz VFJHCVHWYAFEOB-NUJGCVRESA-N 1 0 305.418 2.777 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1OC ZINC000291503086 426900504 /nfs/dbraw/zinc/90/05/04/426900504.db2.gz HPNUNXKHLNZYDW-WMLDXEAASA-N 1 0 321.417 2.799 20 10 DFCDRO COc1ccc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)cc1C ZINC000276021436 426968149 /nfs/dbraw/zinc/96/81/49/426968149.db2.gz NHFFKNMAAXMIFT-UHFFFAOYSA-N 1 0 314.433 2.794 20 10 DFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1C ZINC000282923200 426933615 /nfs/dbraw/zinc/93/36/15/426933615.db2.gz WALWYLSSMTYRIL-MAUKXSAKSA-N 1 0 319.445 2.666 20 10 DFCDRO CCOc1cccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)c1O ZINC000248422017 426997502 /nfs/dbraw/zinc/99/75/02/426997502.db2.gz YJGCCFRVPUJBEG-HOTGVXAUSA-N 1 0 304.434 2.850 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000248582892 427016555 /nfs/dbraw/zinc/01/65/55/427016555.db2.gz FPLUQLZOZCARQO-WDSOQIARSA-N 1 0 323.440 2.903 20 10 DFCDRO Cc1cccc(C(=O)NCC[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295950077 427023002 /nfs/dbraw/zinc/02/30/02/427023002.db2.gz LJNSHVQHARLAIE-INIZCTEOSA-N 1 0 310.397 2.708 20 10 DFCDRO CN1CCCc2cc(CNC(=O)C[C@@H]3CCCC[C@H]3[NH3+])ccc21 ZINC000296145140 427089423 /nfs/dbraw/zinc/08/94/23/427089423.db2.gz VMEJWRPVTRTXCQ-DOTOQJQBSA-N 1 0 315.461 2.593 20 10 DFCDRO CC[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(N(C)C)cc1 ZINC000268915363 427136972 /nfs/dbraw/zinc/13/69/72/427136972.db2.gz NRTTYEBUHHGZCC-MRXNPFEDSA-N 1 0 303.450 2.839 20 10 DFCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268902354 427137719 /nfs/dbraw/zinc/13/77/19/427137719.db2.gz QMBQGSMSRZBAOH-IYOUNJFTSA-N 1 0 324.440 2.720 20 10 DFCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000268933792 427139189 /nfs/dbraw/zinc/13/91/89/427139189.db2.gz MRVHZVCVJAZGCN-KBXCAEBGSA-N 1 0 324.440 2.984 20 10 DFCDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268902353 427140066 /nfs/dbraw/zinc/14/00/66/427140066.db2.gz QMBQGSMSRZBAOH-DEYYWGMASA-N 1 0 324.440 2.720 20 10 DFCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(N2CCOCC2)cc1 ZINC000250115523 427154818 /nfs/dbraw/zinc/15/48/18/427154818.db2.gz UHQHRGCIUYIPTA-PIKADFDJSA-N 1 0 316.445 2.741 20 10 DFCDRO CCOCC[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000277369185 427181146 /nfs/dbraw/zinc/18/11/46/427181146.db2.gz AERBNOCBVANHSN-SFHVURJKSA-N 1 0 308.466 2.751 20 10 DFCDRO Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296485748 427194739 /nfs/dbraw/zinc/19/47/39/427194739.db2.gz QGIIHPKNZXFRON-IBGZPJMESA-N 1 0 323.440 2.911 20 10 DFCDRO Cc1cc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)ccc1N(C)C ZINC000292699227 427197347 /nfs/dbraw/zinc/19/73/47/427197347.db2.gz AKAOHKIIVRGSNV-UHFFFAOYSA-N 1 0 317.477 2.751 20 10 DFCDRO COc1ccc(O)c(CN(CCC[NH3+])c2cccc(F)c2)c1 ZINC000183219827 427226236 /nfs/dbraw/zinc/22/62/36/427226236.db2.gz GLPJKJHRMQGQDD-UHFFFAOYSA-N 1 0 304.365 2.895 20 10 DFCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183519532 427283754 /nfs/dbraw/zinc/28/37/54/427283754.db2.gz WRULNFFDCJIWOS-SGTLLEGYSA-N 1 0 317.385 2.794 20 10 DFCDRO COc1ccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)cc1C ZINC000269897730 427301735 /nfs/dbraw/zinc/30/17/35/427301735.db2.gz DYLZQFGYLPUNNU-ZWKOTPCHSA-N 1 0 315.413 2.578 20 10 DFCDRO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccccc1O)CC2 ZINC000183654150 427309246 /nfs/dbraw/zinc/30/92/46/427309246.db2.gz LFOGSZXXQASFAO-CHWSQXEVSA-N 1 0 300.406 2.773 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000270240451 427321634 /nfs/dbraw/zinc/32/16/34/427321634.db2.gz CQZQBXJCPPQNEF-SFHVURJKSA-N 1 0 319.376 2.927 20 10 DFCDRO COC(=O)N1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293613751 427381799 /nfs/dbraw/zinc/38/17/99/427381799.db2.gz GUEPGWLDPPVPDQ-CYBMUJFWSA-N 1 0 306.406 2.890 20 10 DFCDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000262501647 427357737 /nfs/dbraw/zinc/35/77/37/427357737.db2.gz HJCINFLIZOSBLG-GOSISDBHSA-N 1 0 311.429 2.751 20 10 DFCDRO Cc1cc(C(=O)NC2CC[NH2+]CC2)c(C)n1-c1ccc(F)cc1 ZINC000262511372 427361759 /nfs/dbraw/zinc/36/17/59/427361759.db2.gz NXVMUKNESRHEII-UHFFFAOYSA-N 1 0 315.392 2.715 20 10 DFCDRO CC(=O)N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000270990222 427367962 /nfs/dbraw/zinc/36/79/62/427367962.db2.gz HQFLXAGRUAGKIF-UHFFFAOYSA-N 1 0 310.397 2.723 20 10 DFCDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000278779720 427448921 /nfs/dbraw/zinc/44/89/21/427448921.db2.gz VKJJSQXRZXPJDI-KRWDZBQOSA-N 1 0 309.406 2.536 20 10 DFCDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000278727170 427450111 /nfs/dbraw/zinc/45/01/11/427450111.db2.gz LDBKNSQQENXAPH-HNNXBMFYSA-N 1 0 314.429 2.698 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC000278795755 427455129 /nfs/dbraw/zinc/45/51/29/427455129.db2.gz YXRAEENEHYOIBB-GJZGRUSLSA-N 1 0 322.449 2.552 20 10 DFCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297674757 427426009 /nfs/dbraw/zinc/42/60/09/427426009.db2.gz LGVRCSAYCWHRST-UONOGXRCSA-N 1 0 318.417 2.979 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000278294600 427427537 /nfs/dbraw/zinc/42/75/37/427427537.db2.gz VHTLANIZLRKCQF-ZDUSSCGKSA-N 1 0 317.345 2.974 20 10 DFCDRO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccccc3O)C2=O)cc1 ZINC000191807500 427428736 /nfs/dbraw/zinc/42/87/36/427428736.db2.gz VMMPJMFFHNTDSW-KRWDZBQOSA-N 1 0 310.397 2.591 20 10 DFCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC000271182936 427434411 /nfs/dbraw/zinc/43/44/11/427434411.db2.gz LQZKRURMLWNLJV-INIZCTEOSA-N 1 0 302.418 2.528 20 10 DFCDRO COC(=O)C[C@](C)([NH2+]Cc1cc(C)ccc1O)c1ccncc1 ZINC000191906281 427445399 /nfs/dbraw/zinc/44/53/99/427445399.db2.gz BUDLTNBVPMIVKO-SFHVURJKSA-N 1 0 314.385 2.664 20 10 DFCDRO Cc1cnc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)s1 ZINC000271201760 427445714 /nfs/dbraw/zinc/44/57/14/427445714.db2.gz QAYAACWEJCBMQD-UHFFFAOYSA-N 1 0 316.474 2.840 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](COC)[C@H]2CCCO2)cc1 ZINC000278687809 427447387 /nfs/dbraw/zinc/44/73/87/427447387.db2.gz GTXCHLKUXZZPBO-JCGIZDLHSA-N 1 0 306.450 2.987 20 10 DFCDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000279086747 427554395 /nfs/dbraw/zinc/55/43/95/427554395.db2.gz NCUTZMWFANRMNR-ZJUUUORDSA-N 1 0 302.212 2.966 20 10 DFCDRO COC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(OC)c1O ZINC000184676150 427514948 /nfs/dbraw/zinc/51/49/48/427514948.db2.gz WWPCBHXPOCWMDV-GFCCVEGCSA-N 1 0 313.781 2.582 20 10 DFCDRO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)ccc1N(C)C ZINC000294029191 427526077 /nfs/dbraw/zinc/52/60/77/427526077.db2.gz HXVHAIKWESBVEA-FCEWJHQRSA-N 1 0 318.461 2.829 20 10 DFCDRO Cc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)ccc1N(C)C ZINC000294029194 427526604 /nfs/dbraw/zinc/52/66/04/427526604.db2.gz HXVHAIKWESBVEA-FRQCXROJSA-N 1 0 318.461 2.829 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)c1ccccc1O ZINC000279062699 427545223 /nfs/dbraw/zinc/54/52/23/427545223.db2.gz ZESARGGOMAEUNJ-IIYDPXPESA-N 1 0 301.390 2.554 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000192815760 427615423 /nfs/dbraw/zinc/61/54/23/427615423.db2.gz SUGRXFXDRXEEGE-HUUCEWRRSA-N 1 0 312.417 2.810 20 10 DFCDRO C[C@H]([NH2+]CCn1ccnc1)c1ccc(Br)cc1O ZINC000184868826 427557724 /nfs/dbraw/zinc/55/77/24/427557724.db2.gz XWALJHCOUVGQHI-JTQLQIEISA-N 1 0 310.195 2.702 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184914262 427563341 /nfs/dbraw/zinc/56/33/41/427563341.db2.gz BOUKXHXHZDSNHY-OWCLPIDISA-N 1 0 306.450 2.851 20 10 DFCDRO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc2ccccc2c1O ZINC000184935331 427565964 /nfs/dbraw/zinc/56/59/64/427565964.db2.gz KWFGWTWZCPRMCQ-LSDHHAIUSA-N 1 0 314.429 2.917 20 10 DFCDRO CO[C@H](C)CC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000271809719 427583607 /nfs/dbraw/zinc/58/36/07/427583607.db2.gz AMBZDJDPBHMYAR-SNVBAGLBSA-N 1 0 302.212 2.978 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000271717400 427584608 /nfs/dbraw/zinc/58/46/08/427584608.db2.gz IYMFFHDQHSGLQU-GFCCVEGCSA-N 1 0 317.389 2.512 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CO)C2)c1O ZINC000271779475 427586763 /nfs/dbraw/zinc/58/67/63/427586763.db2.gz GMTUXXCAPDLQHQ-NSHDSACASA-N 1 0 314.223 2.667 20 10 DFCDRO CC[N@H+](CCCO)Cc1cc(Br)cc(C)c1O ZINC000271792194 427586944 /nfs/dbraw/zinc/58/69/44/427586944.db2.gz JMGVYEPGWWPVQN-UHFFFAOYSA-N 1 0 302.212 2.667 20 10 DFCDRO Cc1cc(Cl)cc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1O ZINC000271903978 427591424 /nfs/dbraw/zinc/59/14/24/427591424.db2.gz ZXRLOBMQAXPAED-FDMGOTLNSA-N 1 0 301.839 2.695 20 10 DFCDRO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185098446 427597153 /nfs/dbraw/zinc/59/71/53/427597153.db2.gz QOWCRUQXHMCUJD-BZNIZROVSA-N 1 0 305.349 2.924 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c1 ZINC000185121630 427598179 /nfs/dbraw/zinc/59/81/79/427598179.db2.gz OFRFTZDJLFNSLA-LLVKDONJSA-N 1 0 305.349 2.883 20 10 DFCDRO COCCCN1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185314757 427631827 /nfs/dbraw/zinc/63/18/27/427631827.db2.gz RMBWSYGIHCSAER-ZDUSSCGKSA-N 1 0 310.413 2.683 20 10 DFCDRO COCCCN1CCC([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185314340 427633159 /nfs/dbraw/zinc/63/31/59/427633159.db2.gz HGOQYXMRTMTMTC-OAHLLOKOSA-N 1 0 306.450 2.852 20 10 DFCDRO COCCCN1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185314415 427633606 /nfs/dbraw/zinc/63/36/06/427633606.db2.gz SAPIQUPLBJILNZ-AWEZNQCLSA-N 1 0 322.449 2.552 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1O ZINC000295092088 427687888 /nfs/dbraw/zinc/68/78/88/427687888.db2.gz AENNBNIHUHVSJH-MAZHCROVSA-N 1 0 307.365 2.637 20 10 DFCDRO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185682637 427690112 /nfs/dbraw/zinc/69/01/12/427690112.db2.gz WZDHUFHMTJAVJO-BXUZGUMPSA-N 1 0 316.405 2.740 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc(F)ccc1O ZINC000185813314 427710654 /nfs/dbraw/zinc/71/06/54/427710654.db2.gz MKMMTPCZHSYABZ-LRDDRELGSA-N 1 0 314.360 2.987 20 10 DFCDRO CC(C)c1nnc([C@H]2CN(Cc3cc(F)ccc3O)CCO2)o1 ZINC000279632207 427715471 /nfs/dbraw/zinc/71/54/71/427715471.db2.gz IDMNXWAJPRZMEW-CQSZACIVSA-N 1 0 321.352 2.611 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050716 427744182 /nfs/dbraw/zinc/74/41/82/427744182.db2.gz SRWQBQXFUVCIQT-LSDHHAIUSA-N 1 0 312.417 2.810 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050697 427744374 /nfs/dbraw/zinc/74/43/74/427744374.db2.gz SRWQBQXFUVCIQT-HUUCEWRRSA-N 1 0 312.417 2.810 20 10 DFCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1O ZINC000186088763 427746502 /nfs/dbraw/zinc/74/65/02/427746502.db2.gz KKHKBISWXWRNKK-JSGCOSHPSA-N 1 0 310.397 2.959 20 10 DFCDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000186089666 427746789 /nfs/dbraw/zinc/74/67/89/427746789.db2.gz LSTNBJLDPLPPPZ-SNVBAGLBSA-N 1 0 317.838 2.521 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000186088885 427746992 /nfs/dbraw/zinc/74/69/92/427746992.db2.gz XTIXPFIKKPAPGZ-SWLSCSKDSA-N 1 0 314.429 2.685 20 10 DFCDRO CCCOc1ccc(CN2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c(O)c1 ZINC000371552905 428395623 /nfs/dbraw/zinc/39/56/23/428395623.db2.gz KCJCVVPUNCQYSW-WMLDXEAASA-N 1 0 304.434 2.707 20 10 DFCDRO Oc1cc2c(cc1C[N@H+]1CC[C@H](O)c3ccccc3C1)OCO2 ZINC000371877514 428406580 /nfs/dbraw/zinc/40/65/80/428406580.db2.gz WVPANIIMWCAOAU-HNNXBMFYSA-N 1 0 313.353 2.560 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1cc(Cl)ccc1O ZINC000371875825 428406933 /nfs/dbraw/zinc/40/69/33/428406933.db2.gz GOJOJMJPUKFGFV-DGCLKSJQSA-N 1 0 320.824 2.709 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000372597433 428470879 /nfs/dbraw/zinc/47/08/79/428470879.db2.gz ZFQTYWPMCZJWSJ-KBPBESRZSA-N 1 0 301.390 2.995 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cccnc3C)C2)c1 ZINC000372814830 428503885 /nfs/dbraw/zinc/50/38/85/428503885.db2.gz LHNVQYDQRUFHJT-MRXNPFEDSA-N 1 0 314.385 2.758 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000372597434 428471034 /nfs/dbraw/zinc/47/10/34/428471034.db2.gz ZFQTYWPMCZJWSJ-KGLIPLIRSA-N 1 0 301.390 2.995 20 10 DFCDRO COc1cc(O)c(CNC2CC([NH+]3CCCCC3)C2)cc1OC ZINC000373463673 428584111 /nfs/dbraw/zinc/58/41/11/428584111.db2.gz AMGZECDQQIOIFU-UHFFFAOYSA-N 1 0 320.433 2.516 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)c1 ZINC000373484354 428589292 /nfs/dbraw/zinc/58/92/92/428589292.db2.gz XLDISHDFOGNBEB-QAPCUYQASA-N 1 0 321.417 2.561 20 10 DFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)[C@@H]1C ZINC000373400328 428566729 /nfs/dbraw/zinc/56/67/29/428566729.db2.gz PRAFEPAQEIAAOV-KMFMINBZSA-N 1 0 316.445 2.746 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000373601414 428616184 /nfs/dbraw/zinc/61/61/84/428616184.db2.gz NSGXGHHZWRZPIH-MRXNPFEDSA-N 1 0 302.418 2.834 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000373638014 428625270 /nfs/dbraw/zinc/62/52/70/428625270.db2.gz LUMSXLRAUXZKGJ-KSSFIOAISA-N 1 0 321.417 2.561 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)C(C)(C)C)CC2)c1 ZINC000362351458 428715170 /nfs/dbraw/zinc/71/51/70/428715170.db2.gz JVSRUCQFRFDQGN-UHFFFAOYSA-N 1 0 304.434 2.781 20 10 DFCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000363264871 428895236 /nfs/dbraw/zinc/89/52/36/428895236.db2.gz SXMGRQFLODMAAK-MRXNPFEDSA-N 1 0 324.852 2.779 20 10 DFCDRO C[NH2+]CCc1ccccc1C(=O)N1CCc2cc(F)c(F)cc21 ZINC000422984696 429054126 /nfs/dbraw/zinc/05/41/26/429054126.db2.gz BGUBWGUQAYSJJY-UHFFFAOYSA-N 1 0 316.351 2.930 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c1 ZINC000376520420 429128714 /nfs/dbraw/zinc/12/87/14/429128714.db2.gz KMXSTEVSEQIWNQ-BBRMVZONSA-N 1 0 315.417 2.618 20 10 DFCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@H]2CCCOC2)C1 ZINC000364457853 429207665 /nfs/dbraw/zinc/20/76/65/429207665.db2.gz LPGXAPACLKEDSP-CVEARBPZSA-N 1 0 324.852 2.779 20 10 DFCDRO COC(=O)[C@]12CCC[C@@H]1C[N@@H+]([C@H](C)c1cc(OC)ccc1O)C2 ZINC000364630385 429239078 /nfs/dbraw/zinc/23/90/78/429239078.db2.gz HCLGRXWFIGSECV-VFVRVIDISA-N 1 0 319.401 2.737 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(C)cc1O ZINC000365581078 429344968 /nfs/dbraw/zinc/34/49/68/429344968.db2.gz LMDFLUSFVXBCHO-WBVHZDCISA-N 1 0 304.434 2.605 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)C[C@@H]3CCCO3)CC2)cc1 ZINC000365711575 429361821 /nfs/dbraw/zinc/36/18/21/429361821.db2.gz GJMYTGPIKVKMGC-SFHVURJKSA-N 1 0 304.434 2.775 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCCCO3)C2)cc1OC ZINC000365737390 429366280 /nfs/dbraw/zinc/36/62/80/429366280.db2.gz PMZIDRCERIGJQF-SFHVURJKSA-N 1 0 321.417 2.945 20 10 DFCDRO CCN(CC)c1ccc(CN2CCO[C@H]3CCOC[C@H]32)cc1 ZINC000366488452 429461811 /nfs/dbraw/zinc/46/18/11/429461811.db2.gz JAPNIFMIXVADDG-MSOLQXFVSA-N 1 0 304.434 2.523 20 10 DFCDRO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCc3cccc(O)c31)CC2 ZINC000296781447 275777389 /nfs/dbraw/zinc/77/73/89/275777389.db2.gz KUGVZSKOHIZYPZ-KGLIPLIRSA-N 1 0 312.417 2.699 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1O ZINC000367026639 429561517 /nfs/dbraw/zinc/56/15/17/429561517.db2.gz NDBNSGPTJWRWNN-ZDUSSCGKSA-N 1 0 315.373 2.651 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000367180462 429591482 /nfs/dbraw/zinc/59/14/82/429591482.db2.gz UAQPTVAHUGUVDJ-IAOVAPTHSA-N 1 0 301.434 2.557 20 10 DFCDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185437206 276272600 /nfs/dbraw/zinc/27/26/00/276272600.db2.gz MKUZHCUSQHFCAA-MWLCHTKSSA-N 1 0 302.212 2.966 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]3C(=O)N(C)C[C@H]32)cc1 ZINC000284600337 276341447 /nfs/dbraw/zinc/34/14/47/276341447.db2.gz KXMIDBCIPXORSN-QZTJIDSGSA-N 1 0 315.461 2.585 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC000280584357 276375047 /nfs/dbraw/zinc/37/50/47/276375047.db2.gz WYUZXUPALRHGNC-PMUMKWKESA-N 1 0 321.417 2.559 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1N1CCOCC1)c1ccccc1O ZINC000368408311 429844153 /nfs/dbraw/zinc/84/41/53/429844153.db2.gz WPGMKYFVPSZWHP-BPQIPLTHSA-N 1 0 318.461 2.934 20 10 DFCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528420603 429886852 /nfs/dbraw/zinc/88/68/52/429886852.db2.gz WUHRHQVESUDZEN-INIZCTEOSA-N 1 0 302.418 2.758 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC2(CCOCC2)O1 ZINC000369128840 429914717 /nfs/dbraw/zinc/91/47/17/429914717.db2.gz YOINOWBUDWULBS-GFCCVEGCSA-N 1 0 311.809 2.816 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1C ZINC000369377392 429934026 /nfs/dbraw/zinc/93/40/26/429934026.db2.gz ALESPYWWIDANAK-DAYGRLMNSA-N 1 0 305.418 2.777 20 10 DFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC1CC(O)C1 ZINC000529677123 430049933 /nfs/dbraw/zinc/04/99/33/430049933.db2.gz ZZJJBLJECCGPKT-UHFFFAOYSA-N 1 0 313.397 2.832 20 10 DFCDRO COC1CCN(c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000296455673 277194634 /nfs/dbraw/zinc/19/46/34/277194634.db2.gz JAQZIIHUUPYNIE-HOTGVXAUSA-N 1 0 318.461 2.911 20 10 DFCDRO COC[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174282833 277587704 /nfs/dbraw/zinc/58/77/04/277587704.db2.gz ZTRQANJZVANSKU-QWHCGFSZSA-N 1 0 314.376 2.881 20 10 DFCDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000281047741 278290976 /nfs/dbraw/zinc/29/09/76/278290976.db2.gz ZYQJIXWHTRVKGK-WDEREUQCSA-N 1 0 304.356 2.878 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000282510777 279503690 /nfs/dbraw/zinc/50/36/90/279503690.db2.gz YXTAKMMCYPNREJ-RLFYNMQTSA-N 1 0 315.461 2.995 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCN([C@H]2CCSC2)CC1 ZINC000372601008 281025340 /nfs/dbraw/zinc/02/53/40/281025340.db2.gz QGCNYJVUSHAODE-GOEBONIOSA-N 1 0 306.475 2.966 20 10 DFCDRO C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000278466014 289948207 /nfs/dbraw/zinc/94/82/07/289948207.db2.gz NCAYNXXQQRJGPJ-LBPRGKRZSA-N 1 0 319.405 2.825 20 10 DFCDRO [NH3+]CCCCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000195171650 295227794 /nfs/dbraw/zinc/22/77/94/295227794.db2.gz VMYCRYBKMMIHIF-UHFFFAOYSA-N 1 0 303.450 2.812 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c1O ZINC000527735621 300681883 /nfs/dbraw/zinc/68/18/83/300681883.db2.gz PEYJFPOKQJSLLN-SFHVURJKSA-N 1 0 315.369 2.721 20 10 DFCDRO Cc1cc(C(=O)N2CC[NH2+][C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000188409523 331608622 /nfs/dbraw/zinc/60/86/22/331608622.db2.gz NBXUBVQIFPASFK-GFCCVEGCSA-N 1 0 315.392 2.667 20 10 DFCDRO CCOC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000073869920 331670089 /nfs/dbraw/zinc/67/00/89/331670089.db2.gz OGSPHCDHRGFMJD-UHFFFAOYSA-N 1 0 306.406 2.714 20 10 DFCDRO COC(=O)[C@H]1CCCCC[N@@H+]1[C@H](C)c1cc(OC)ccc1O ZINC000368030849 332171636 /nfs/dbraw/zinc/17/16/36/332171636.db2.gz PYAOMIIYSYVDHS-IUODEOHRSA-N 1 0 307.390 2.879 20 10 DFCDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000293692257 335112488 /nfs/dbraw/zinc/11/24/88/335112488.db2.gz KYIUVPDDEHIZDQ-GOSISDBHSA-N 1 0 318.461 2.552 20 10 DFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC[NH+](C)C ZINC000176382695 333112681 /nfs/dbraw/zinc/11/26/81/333112681.db2.gz NDUHKXINIFLSIQ-UHFFFAOYSA-N 1 0 305.447 2.789 20 10 DFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000294797341 335127481 /nfs/dbraw/zinc/12/74/81/335127481.db2.gz VSQSLXLPOUZNKF-GXSJLCMTSA-N 1 0 315.772 2.816 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1 ZINC000178711728 333142614 /nfs/dbraw/zinc/14/26/14/333142614.db2.gz XIQDYZVWXXNECA-ATLSCFEFSA-N 1 0 315.461 2.522 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H](C)CCCO)c1O ZINC000294681478 335125420 /nfs/dbraw/zinc/12/54/20/335125420.db2.gz BQLJSRZLBXKIPF-SNVBAGLBSA-N 1 0 316.239 2.961 20 10 DFCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000185190066 333205504 /nfs/dbraw/zinc/20/55/04/333205504.db2.gz UCNZYXMKJHNQKY-ZFWWWQNUSA-N 1 0 307.390 2.804 20 10 DFCDRO C[C@H](O)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000187823349 333238395 /nfs/dbraw/zinc/23/83/95/333238395.db2.gz FUVYXAAKTDMFNA-AWEZNQCLSA-N 1 0 301.386 2.784 20 10 DFCDRO C[C@H](CCCCO)[NH2+]Cc1cc(Br)ccc1O ZINC000294994560 335129520 /nfs/dbraw/zinc/12/95/20/335129520.db2.gz HXRNXTVTOUULSS-SNVBAGLBSA-N 1 0 302.212 2.795 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@H](CC)[C@H](O)C(F)F)c(O)c1 ZINC000295003423 335129877 /nfs/dbraw/zinc/12/98/77/335129877.db2.gz IRDSSHLXOXFHQH-OCCSQVGLSA-N 1 0 303.349 2.675 20 10 DFCDRO OC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1c1ccsc1 ZINC000190298312 333269577 /nfs/dbraw/zinc/26/95/77/333269577.db2.gz OWXFNDVLWNIQLL-ZFWWWQNUSA-N 1 0 307.390 2.801 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000295833511 335139847 /nfs/dbraw/zinc/13/98/47/335139847.db2.gz ACNOIJVCNZOJPL-CJNGLKHVSA-N 1 0 319.424 2.745 20 10 DFCDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(Br)ccc1O ZINC000296035359 335140676 /nfs/dbraw/zinc/14/06/76/335140676.db2.gz TXAPTGKXFVILDO-UMNHJUIQSA-N 1 0 300.196 2.719 20 10 DFCDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296471948 335142317 /nfs/dbraw/zinc/14/23/17/335142317.db2.gz NVQDBIFFTIGOMP-ODWCKFRGSA-N 1 0 305.378 2.576 20 10 DFCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@@H](C)O1 ZINC000296517745 335146045 /nfs/dbraw/zinc/14/60/45/335146045.db2.gz RVXNOXLECPIFDW-CLCXKQKWSA-N 1 0 318.461 2.551 20 10 DFCDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000297181408 335151569 /nfs/dbraw/zinc/15/15/69/335151569.db2.gz DYASXMYXTHYOIP-HUUCEWRRSA-N 1 0 324.440 2.722 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c(O)c1 ZINC000297267932 335152586 /nfs/dbraw/zinc/15/25/86/335152586.db2.gz KMXBYRDCFIZTFG-CVEARBPZSA-N 1 0 306.450 2.506 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)NCCF ZINC000282835879 334137549 /nfs/dbraw/zinc/13/75/49/334137549.db2.gz SLTZDURWIJXEML-LSDHHAIUSA-N 1 0 321.440 2.802 20 10 DFCDRO Cc1cc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)ccc1N(C)C ZINC000294042987 334204917 /nfs/dbraw/zinc/20/49/17/334204917.db2.gz IVFYVYLVYNGGIX-MRXNPFEDSA-N 1 0 318.461 2.831 20 10 DFCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000295066234 334216734 /nfs/dbraw/zinc/21/67/34/334216734.db2.gz ROMBLYZPWDKADG-SCLBCKFNSA-N 1 0 322.424 2.738 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@]3(C)CCCO3)CC2)cc1 ZINC000167054928 336017144 /nfs/dbraw/zinc/01/71/44/336017144.db2.gz QTMLSXORUALKBJ-SFHVURJKSA-N 1 0 304.434 2.823 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCC[NH+](C)C ZINC000526928210 336274765 /nfs/dbraw/zinc/27/47/65/336274765.db2.gz NYBUBDPJIMLDGF-UHFFFAOYSA-N 1 0 316.449 2.580 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCCN(c2ncccn2)C1)c1ccccc1O ZINC000360338838 336709160 /nfs/dbraw/zinc/70/91/60/336709160.db2.gz VDKSWZLIIFPJCE-LSDHHAIUSA-N 1 0 312.417 2.749 20 10 DFCDRO CN1C(=O)CC[C@H]([NH2+]Cc2ccccc2O)[C@H]1c1cccs1 ZINC000367546157 336824806 /nfs/dbraw/zinc/82/48/06/336824806.db2.gz DBQPSJYXQJBQEX-GUYCJALGSA-N 1 0 316.426 2.905 20 10 DFCDRO Cc1cn2c(n1)[C@H](C[NH2+]Cc1ccc3c(c1)CCN3C)CCC2 ZINC000369772593 336871629 /nfs/dbraw/zinc/87/16/29/336871629.db2.gz LRBQVNUNXCJTFO-KRWDZBQOSA-N 1 0 310.445 2.851 20 10 DFCDRO Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3ccccc3O)C2)nn1 ZINC000371674094 336910454 /nfs/dbraw/zinc/91/04/54/336910454.db2.gz DFRXFMUSWZQUQL-CABCVRRESA-N 1 0 312.417 2.810 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1OC ZINC000373370820 336958384 /nfs/dbraw/zinc/95/83/84/336958384.db2.gz SCLGBYXQFGJNKJ-MSOLQXFVSA-N 1 0 321.417 2.704 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000375256041 337006705 /nfs/dbraw/zinc/00/67/05/337006705.db2.gz LTIUBNXRYUIOPN-AEFFLSMTSA-N 1 0 318.461 2.888 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000375300742 337007465 /nfs/dbraw/zinc/00/74/65/337007465.db2.gz CMENRGSLZSDXQY-LNLFQRSKSA-N 1 0 315.461 2.851 20 10 DFCDRO CCOc1cccc(C[NH2+][C@]2(CO)CCc3ccccc32)c1O ZINC000305162596 337016632 /nfs/dbraw/zinc/01/66/32/337016632.db2.gz NSTUKSFCNGLGFQ-IBGZPJMESA-N 1 0 313.397 2.715 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCn3ccnc32)c1 ZINC000375843843 337021133 /nfs/dbraw/zinc/02/11/33/337021133.db2.gz BRXSAIXUWUCWTR-STQMWFEESA-N 1 0 301.390 2.826 20 10 DFCDRO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1cccc(OC)c1O ZINC000375847202 337021277 /nfs/dbraw/zinc/02/12/77/337021277.db2.gz LHRLDGJMSREXLQ-JKSUJKDBSA-N 1 0 304.434 2.850 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@]2(CCCOC2)O1 ZINC000376440036 337033475 /nfs/dbraw/zinc/03/34/75/337033475.db2.gz DPQUBKKLMGIPPJ-YJBOKZPZSA-N 1 0 321.417 2.561 20 10 DFCDRO COc1ccc(N2CCC(N(C)C(=O)C3CCC3)CC2)cc1 ZINC000377490327 337053667 /nfs/dbraw/zinc/05/36/67/337053667.db2.gz XABNUINPTATHRJ-UHFFFAOYSA-N 1 0 302.418 2.923 20 10 DFCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000377679473 337058197 /nfs/dbraw/zinc/05/81/97/337058197.db2.gz LXMHNYJEYCWGPG-CQSZACIVSA-N 1 0 317.307 2.628 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000377704620 337059103 /nfs/dbraw/zinc/05/91/03/337059103.db2.gz RSMBWYPLLYZATI-CVEARBPZSA-N 1 0 314.433 2.566 20 10 DFCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H]2CCn3ccnc3C2)c1 ZINC000377859670 337062722 /nfs/dbraw/zinc/06/27/22/337062722.db2.gz JANDTCWQFNKUBB-AWEZNQCLSA-N 1 0 315.417 2.682 20 10 DFCDRO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cc(C)ccc2O)n1 ZINC000378348531 337070512 /nfs/dbraw/zinc/07/05/12/337070512.db2.gz FLTRDCBGBLMMGN-KRWDZBQOSA-N 1 0 314.433 2.964 20 10 DFCDRO COc1cccc(C[NH+]2CCC(n3ccc(C)n3)CC2)c1O ZINC000378349816 337070657 /nfs/dbraw/zinc/07/06/57/337070657.db2.gz LCWMVUBUYPEBKU-UHFFFAOYSA-N 1 0 301.390 2.743 20 10 DFCDRO Oc1ccccc1C[N@@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000360020018 337083761 /nfs/dbraw/zinc/08/37/61/337083761.db2.gz TWAMNROKUREZFO-UHFFFAOYSA-N 1 0 301.365 2.639 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1O ZINC000175619678 337148545 /nfs/dbraw/zinc/14/85/45/337148545.db2.gz ICHHBXPRTQMNBO-UHFFFAOYSA-N 1 0 317.364 2.837 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)ccc1O ZINC000185553397 337249069 /nfs/dbraw/zinc/24/90/69/337249069.db2.gz TYFOKIBKFPOAKW-JSGCOSHPSA-N 1 0 318.396 2.584 20 10 DFCDRO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185775669 337251186 /nfs/dbraw/zinc/25/11/86/337251186.db2.gz BOCNWAHSKZLNBY-GXTWGEPZSA-N 1 0 316.405 2.624 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)CC2 ZINC000185995793 337252408 /nfs/dbraw/zinc/25/24/08/337252408.db2.gz BWNJVFDQUKVJOE-OLZOCXBDSA-N 1 0 300.406 2.520 20 10 DFCDRO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)CC2 ZINC000185995119 337252529 /nfs/dbraw/zinc/25/25/29/337252529.db2.gz VJUQVYCJZIXISJ-CHWSQXEVSA-N 1 0 300.406 2.520 20 10 DFCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000230684125 337273072 /nfs/dbraw/zinc/27/30/72/337273072.db2.gz SCAGLRIDNLRFSE-ZJUUUORDSA-N 1 0 300.196 2.669 20 10 DFCDRO CCOc1ccc(O)c(CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000127763671 337422272 /nfs/dbraw/zinc/42/22/72/337422272.db2.gz YTZMZEUUAJRMJT-UHFFFAOYSA-N 1 0 304.434 2.851 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000359865367 337440131 /nfs/dbraw/zinc/44/01/31/337440131.db2.gz DTDVPUMWWYQKMB-GDIGMMSISA-N 1 0 316.445 2.741 20 10 DFCDRO COC[C@@]1([NH2+]Cc2cc(C)ccc2O)COc2ccccc2C1 ZINC000527802001 337764906 /nfs/dbraw/zinc/76/49/06/337764906.db2.gz XYNORUUMZPXFIM-LJQANCHMSA-N 1 0 313.397 2.811 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccc(OC)nc2)c1 ZINC000527991234 337778232 /nfs/dbraw/zinc/77/82/32/337778232.db2.gz UPORHRUCLNISOM-LBPRGKRZSA-N 1 0 302.374 2.698 20 10 DFCDRO CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)C(=O)N1CCCC1 ZINC000528013624 337783615 /nfs/dbraw/zinc/78/36/15/337783615.db2.gz AUNRJHYYLGZLBI-AWEZNQCLSA-N 1 0 302.418 2.618 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c(O)c1 ZINC000528017656 337784021 /nfs/dbraw/zinc/78/40/21/337784021.db2.gz XSEBDEYTUNTORP-CQSZACIVSA-N 1 0 304.434 3.000 20 10 DFCDRO CCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435630213 338243851 /nfs/dbraw/zinc/24/38/51/338243851.db2.gz WKVRWDQUZYUTDK-UHFFFAOYSA-N 1 0 313.445 2.886 20 10 DFCDRO COc1cc(Cl)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1O ZINC000248885164 341389315 /nfs/dbraw/zinc/38/93/15/341389315.db2.gz QBRZRMAJNVXBTN-RISCZKNCSA-N 1 0 310.825 2.723 20 10 DFCDRO CC[C@H]([NH2+]CC1CC(O)C1)c1cc(Br)ccc1O ZINC000091525731 341426463 /nfs/dbraw/zinc/42/64/63/341426463.db2.gz KASAEUFLKPTEDQ-OCTTZUBCSA-N 1 0 314.223 2.966 20 10 DFCDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000180015573 518833817 /nfs/dbraw/zinc/83/38/17/518833817.db2.gz OADUZEMKZDEMDX-CYBMUJFWSA-N 1 0 306.406 2.739 20 10 DFCDRO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158017386 519512482 /nfs/dbraw/zinc/51/24/82/519512482.db2.gz GMGZLWQKJDPFRD-CQSZACIVSA-N 1 0 310.825 2.782 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)ccc1OC ZINC000189929829 520185637 /nfs/dbraw/zinc/18/56/37/520185637.db2.gz IQKGEBBHTPVQFQ-DOTOQJQBSA-N 1 0 307.434 2.872 20 10 DFCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000189402135 520214713 /nfs/dbraw/zinc/21/47/13/520214713.db2.gz GWURXRTYSGVEOV-STQMWFEESA-N 1 0 304.434 2.788 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCOCC2 ZINC000186306348 520430599 /nfs/dbraw/zinc/43/05/99/520430599.db2.gz SAPDLZCHOWEDMZ-ZWKOTPCHSA-N 1 0 317.429 2.685 20 10 DFCDRO CCOC(=O)CCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000132325942 520631278 /nfs/dbraw/zinc/63/12/78/520631278.db2.gz IIZYMEOXVVOEOF-UHFFFAOYSA-N 1 0 320.433 2.551 20 10 DFCDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc(O)c1O ZINC000188229901 520641365 /nfs/dbraw/zinc/64/13/65/520641365.db2.gz DUDQBUNIKVITLS-UHFFFAOYSA-N 1 0 308.422 2.538 20 10 DFCDRO CCOc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)c1O ZINC000182075574 521344154 /nfs/dbraw/zinc/34/41/54/521344154.db2.gz YJGCCFRVPUJBEG-JKSUJKDBSA-N 1 0 304.434 2.850 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000236733064 521689516 /nfs/dbraw/zinc/68/95/16/521689516.db2.gz MUPTUFMXWBLZIO-OAHLLOKOSA-N 1 0 302.418 2.521 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000129432014 522177257 /nfs/dbraw/zinc/17/72/57/522177257.db2.gz JHVFNSXDHCAOEX-UHFFFAOYSA-N 1 0 315.383 2.823 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000182095873 522212961 /nfs/dbraw/zinc/21/29/61/522212961.db2.gz NCVVTQHPIBGOTO-GCJKJVERSA-N 1 0 316.470 2.962 20 10 DFCDRO COC[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178673787 522581860 /nfs/dbraw/zinc/58/18/60/522581860.db2.gz SLWLUFBFJKPQDX-ZIAGYGMSSA-N 1 0 310.413 2.595 20 10 DFCDRO COc1cc(O)c(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000180439396 522769684 /nfs/dbraw/zinc/76/96/84/522769684.db2.gz VLPYYQQLJNZTCT-HNNXBMFYSA-N 1 0 322.449 2.716 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2ccccn2)cc1OC ZINC000182062762 522774040 /nfs/dbraw/zinc/77/40/40/522774040.db2.gz DSTKIDMJLSDMTP-LBPRGKRZSA-N 1 0 302.374 2.997 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1OC ZINC000182623284 522780320 /nfs/dbraw/zinc/78/03/20/522780320.db2.gz BXCMFSMCIUMZRO-AWEZNQCLSA-N 1 0 321.417 2.991 20 10 DFCDRO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000190489227 523416965 /nfs/dbraw/zinc/41/69/65/523416965.db2.gz IQSSOBIYCIIRQU-KRWDZBQOSA-N 1 0 311.429 2.741 20 10 DFCDRO CCc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000131093236 523942168 /nfs/dbraw/zinc/94/21/68/523942168.db2.gz LSOQDOCODGBGMV-UHFFFAOYSA-N 1 0 300.402 2.968 20 10 DFCDRO CN1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1=O ZINC000265718896 524012826 /nfs/dbraw/zinc/01/28/26/524012826.db2.gz ZRMOZAZOJOPXQM-KRWDZBQOSA-N 1 0 310.397 2.770 20 10 DFCDRO COc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000237370679 524091760 /nfs/dbraw/zinc/09/17/60/524091760.db2.gz HFAIVFCUUBHACK-INIZCTEOSA-N 1 0 312.417 2.552 20 10 DFCDRO COc1cccc([C@@H](O)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000265001150 524102373 /nfs/dbraw/zinc/10/23/73/524102373.db2.gz ZRZIOMVNPJJNFE-INIZCTEOSA-N 1 0 307.777 2.877 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1O ZINC000180794818 524400573 /nfs/dbraw/zinc/40/05/73/524400573.db2.gz XCYLYNRCFMHWRX-GFCCVEGCSA-N 1 0 302.340 2.769 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000180140544 524741553 /nfs/dbraw/zinc/74/15/53/524741553.db2.gz AWORSFQQHIODRQ-HNNXBMFYSA-N 1 0 301.390 2.743 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)Cc2cccc(C)c2)c1 ZINC000191612064 524767034 /nfs/dbraw/zinc/76/70/34/524767034.db2.gz GBPFUNOHCGKGBX-ZBFHGGJFSA-N 1 0 315.413 2.963 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000180014947 524861125 /nfs/dbraw/zinc/86/11/25/524861125.db2.gz MCKARXGRVIDXMI-GFCCVEGCSA-N 1 0 311.809 2.939 20 10 DFCDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)C[C@H](C)O1 ZINC000179990287 524967565 /nfs/dbraw/zinc/96/75/65/524967565.db2.gz KCNJVBMIBYWIEG-VBQJREDUSA-N 1 0 322.424 2.605 20 10 DFCDRO C[C@H]([NH2+]CCN1CCOCC1(C)C)c1ccc(N(C)C)cc1 ZINC000178598145 525352106 /nfs/dbraw/zinc/35/21/06/525352106.db2.gz XCZGXXBKAVHIKV-HNNXBMFYSA-N 1 0 305.466 2.514 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000179891599 525617373 /nfs/dbraw/zinc/61/73/73/525617373.db2.gz GADRYMIITSQGKD-WFASDCNBSA-N 1 0 314.360 2.987 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCOC2)c1O ZINC000180341297 526157376 /nfs/dbraw/zinc/15/73/76/526157376.db2.gz QHAXREAWGWQTQT-NSHDSACASA-N 1 0 314.223 2.979 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+](C)CCn2cccn2)c1O ZINC000180222148 526157984 /nfs/dbraw/zinc/15/79/84/526157984.db2.gz NEQCOLKSXJGZNO-UHFFFAOYSA-N 1 0 324.222 2.792 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1O ZINC000191721562 526158381 /nfs/dbraw/zinc/15/83/81/526158381.db2.gz OOADTXIZXQLJFU-PWSUYJOCSA-N 1 0 314.223 2.523 20 10 DFCDRO Cc1cc(C(=O)N2CC[NH2+]CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000159327239 526255015 /nfs/dbraw/zinc/25/50/15/526255015.db2.gz QMVKFGXGBYVSBG-UHFFFAOYSA-N 1 0 317.820 2.793 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000179923514 526348540 /nfs/dbraw/zinc/34/85/40/526348540.db2.gz VKGCCVATYVBDCL-UHFFFAOYSA-N 1 0 306.303 2.601 20 10 DFCDRO [NH3+]Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000195171404 527251558 /nfs/dbraw/zinc/25/15/58/527251558.db2.gz LQQQOLREPCSOMK-UHFFFAOYSA-N 1 0 309.413 2.676 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@]12CCCO2 ZINC000272681530 535508728 /nfs/dbraw/zinc/50/87/28/535508728.db2.gz NAUDYXSYEWKZOW-RCCFBDPRSA-N 1 0 322.424 2.708 20 10 DFCDRO CC[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(C)cc1O ZINC000280101587 535803069 /nfs/dbraw/zinc/80/30/69/535803069.db2.gz NDOPRFHEJPAEAT-MRXNPFEDSA-N 1 0 306.450 2.852 20 10 DFCDRO C[NH+](C)CCc1ccccc1NC(=O)NCc1ccccc1O ZINC000275734270 535931912 /nfs/dbraw/zinc/93/19/12/535931912.db2.gz XTHYXMSOVDIMGI-UHFFFAOYSA-N 1 0 313.401 2.818 20 10 DFCDRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC000820431589 606996132 /nfs/dbraw/zinc/99/61/32/606996132.db2.gz GUFQMPLOIXYGDF-ZDUSSCGKSA-N 1 0 322.416 2.784 20 10 DFCDRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccccc1O ZINC000824613861 608458011 /nfs/dbraw/zinc/45/80/11/608458011.db2.gz WTUHZHWFYDGBSV-SNVBAGLBSA-N 1 0 313.336 2.562 20 10 DFCDRO C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000090083131 185281268 /nfs/dbraw/zinc/28/12/68/185281268.db2.gz UMSKUBCNVSKLOM-OAHLLOKOSA-N 1 0 306.450 2.989 20 10 DFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092710396 185335795 /nfs/dbraw/zinc/33/57/95/185335795.db2.gz FQQKGXCPYYCXNL-HNNXBMFYSA-N 1 0 320.433 2.529 20 10 DFCDRO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)no1 ZINC000092813661 185343202 /nfs/dbraw/zinc/34/32/02/185343202.db2.gz SBVSITPNVCFVBM-MRXNPFEDSA-N 1 0 314.433 2.899 20 10 DFCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCOC3)C2)cc1 ZINC000088737131 398440701 /nfs/dbraw/zinc/44/07/01/398440701.db2.gz UTLUGAYOKPWIPY-QWHCGFSZSA-N 1 0 312.360 2.635 20 10 DFCDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000090951061 398498185 /nfs/dbraw/zinc/49/81/85/398498185.db2.gz LSFWDNCASRWPMO-YJBOKZPZSA-N 1 0 306.450 2.725 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cn1 ZINC000092740483 398597742 /nfs/dbraw/zinc/59/77/42/398597742.db2.gz DVQRACKXPBJDEO-CQSZACIVSA-N 1 0 315.392 2.908 20 10 DFCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC000093613066 398642306 /nfs/dbraw/zinc/64/23/06/398642306.db2.gz HEDOOGVOUZXOON-ROUUACIJSA-N 1 0 318.461 2.505 20 10 DFCDRO C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273418135 299272715 /nfs/dbraw/zinc/27/27/15/299272715.db2.gz RKNKJPGSOCQATE-LBPRGKRZSA-N 1 0 319.405 2.825 20 10 DFCDRO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000091832121 193113901 /nfs/dbraw/zinc/11/39/01/193113901.db2.gz KJOXSVHFSIBUID-HNNXBMFYSA-N 1 0 300.406 2.824 20 10 DFCDRO COC(=O)c1ccc(C[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000091829831 193114728 /nfs/dbraw/zinc/11/47/28/193114728.db2.gz VUWDFYRECRKTKT-UHFFFAOYSA-N 1 0 315.369 2.819 20 10 DFCDRO C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000278466013 296120825 /nfs/dbraw/zinc/12/08/25/296120825.db2.gz NCAYNXXQQRJGPJ-GFCCVEGCSA-N 1 0 319.405 2.825 20 10 DFCDRO CCCO[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000093317588 193230290 /nfs/dbraw/zinc/23/02/90/193230290.db2.gz GZWVJNATIKSTLI-AWEZNQCLSA-N 1 0 307.390 2.902 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@H](c2cccs2)N(C)C)c1O ZINC000019997122 182175488 /nfs/dbraw/zinc/17/54/88/182175488.db2.gz CHJYDVZWZRDRJL-ZDUSSCGKSA-N 1 0 306.431 2.855 20 10 DFCDRO CC[C@H](CO)[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000020195322 182196127 /nfs/dbraw/zinc/19/61/27/182196127.db2.gz HIAQWZKKBXSANA-ZYHUDNBSSA-N 1 0 302.212 2.966 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289520882 285384788 /nfs/dbraw/zinc/38/47/88/285384788.db2.gz HBOFSNLOBSRWPH-ZDUSSCGKSA-N 1 0 307.287 2.811 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1O ZINC000272877004 130071636 /nfs/dbraw/zinc/07/16/36/130071636.db2.gz PTILTSHSPHQOMX-WMLDXEAASA-N 1 0 310.397 2.844 20 10 DFCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@@H](O)C(F)(F)F ZINC000273343635 130109391 /nfs/dbraw/zinc/10/93/91/130109391.db2.gz ABSUQMJADAXJMM-YDEJPDAXSA-N 1 0 307.312 2.753 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000273361031 130110594 /nfs/dbraw/zinc/11/05/94/130110594.db2.gz AHPQAOQOJZFGPG-INIZCTEOSA-N 1 0 318.461 2.996 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370966 130113053 /nfs/dbraw/zinc/11/30/53/130113053.db2.gz CJWFGNUPUSKCOO-AVGNSLFASA-N 1 0 307.394 2.824 20 10 DFCDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cc(F)ccc1O ZINC000273382806 130114069 /nfs/dbraw/zinc/11/40/69/130114069.db2.gz IRPFPVYJDAWWFE-GFCCVEGCSA-N 1 0 323.389 2.656 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(Br)cc1O ZINC000273420135 130118369 /nfs/dbraw/zinc/11/83/69/130118369.db2.gz RXSHNSVIDQQBMX-ZJUUUORDSA-N 1 0 300.196 2.842 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c(O)c1C ZINC000273452861 130124189 /nfs/dbraw/zinc/12/41/89/130124189.db2.gz GKQHTEDQUJZTAG-HUUCEWRRSA-N 1 0 321.417 2.582 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000273470883 130125202 /nfs/dbraw/zinc/12/52/02/130125202.db2.gz JTCYQKFUGCNLTK-TZMCWYRMSA-N 1 0 307.390 2.737 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c(O)c1 ZINC000273476755 130126909 /nfs/dbraw/zinc/12/69/09/130126909.db2.gz KYWAZBXIRGGEGC-LESCRADOSA-N 1 0 315.413 2.836 20 10 DFCDRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1nncn1C ZINC000273558491 130137271 /nfs/dbraw/zinc/13/72/71/130137271.db2.gz HLMANNACZNDTDH-RYUDHWBXSA-N 1 0 300.406 2.811 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c(O)c1C ZINC000273586881 130140631 /nfs/dbraw/zinc/14/06/31/130140631.db2.gz NZOFFAMTEKOYJY-OWCLPIDISA-N 1 0 306.450 2.769 20 10 DFCDRO CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)C[C@@H](O)C(F)(F)F ZINC000275128391 130292950 /nfs/dbraw/zinc/29/29/50/130292950.db2.gz JUDCJOAQFDVRLN-CYBMUJFWSA-N 1 0 308.319 2.637 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](c3cncn3C)C2)cc1C ZINC000275537978 130332583 /nfs/dbraw/zinc/33/25/83/130332583.db2.gz MKKYGVKIJQPEDS-MAUKXSAKSA-N 1 0 315.417 2.752 20 10 DFCDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1O ZINC000284391970 131076257 /nfs/dbraw/zinc/07/62/57/131076257.db2.gz AEVLEQRQFLJKEW-MAUKXSAKSA-N 1 0 314.385 2.806 20 10 DFCDRO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000284587853 131095142 /nfs/dbraw/zinc/09/51/42/131095142.db2.gz OQMXLWXEKQFSPZ-GJZGRUSLSA-N 1 0 301.386 2.781 20 10 DFCDRO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000284733074 131107771 /nfs/dbraw/zinc/10/77/71/131107771.db2.gz UAEZQKGGGXQONO-YQQAZPJKSA-N 1 0 309.381 2.547 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)c(O)c1 ZINC000285023708 131131499 /nfs/dbraw/zinc/13/14/99/131131499.db2.gz HMJMWWKYXFDLFN-OAHLLOKOSA-N 1 0 304.434 2.524 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c(O)c1 ZINC000285081863 131136956 /nfs/dbraw/zinc/13/69/56/131136956.db2.gz JOXVOFYTMNJXND-GJZGRUSLSA-N 1 0 321.417 2.582 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c(O)c1 ZINC000285092799 131137440 /nfs/dbraw/zinc/13/74/40/131137440.db2.gz KBFVUSRMHSGZJB-CYBMUJFWSA-N 1 0 313.463 2.873 20 10 DFCDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCC1 ZINC000285234267 131149879 /nfs/dbraw/zinc/14/98/79/131149879.db2.gz PKGJLFRXGUDTON-AWEZNQCLSA-N 1 0 304.434 2.966 20 10 DFCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(F)ccc1O ZINC000285544618 131179890 /nfs/dbraw/zinc/17/98/90/131179890.db2.gz DMRZXAVRQRXMPB-LLVKDONJSA-N 1 0 315.410 2.539 20 10 DFCDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000285584716 131183330 /nfs/dbraw/zinc/18/33/30/131183330.db2.gz UFHLDXKVADPNAD-WFASDCNBSA-N 1 0 310.438 2.503 20 10 DFCDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000285646466 131189952 /nfs/dbraw/zinc/18/99/52/131189952.db2.gz YCFLHOPSRCRFNH-GHMZBOCLSA-N 1 0 314.223 2.917 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285784784 131202427 /nfs/dbraw/zinc/20/24/27/131202427.db2.gz UVKYOLSOWRQUPG-JDSLSITLSA-N 1 0 320.433 2.745 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1cc(Br)ccc1O ZINC000287178835 131267208 /nfs/dbraw/zinc/26/72/08/131267208.db2.gz VCDZQRAGAYSXIL-VHSXEESVSA-N 1 0 301.228 2.755 20 10 DFCDRO Oc1ccccc1C[N@H+](CCOC1CCC1)C[C@@H]1CCCO1 ZINC000287958694 131308241 /nfs/dbraw/zinc/30/82/41/131308241.db2.gz YNQNSIYMIFMDDE-KRWDZBQOSA-N 1 0 305.418 2.942 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000366659242 131328136 /nfs/dbraw/zinc/32/81/36/131328136.db2.gz AUVWETNAOIGUNB-SJORKVTESA-N 1 0 315.461 2.633 20 10 DFCDRO COc1cccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c1O ZINC000288654021 131333668 /nfs/dbraw/zinc/33/36/68/131333668.db2.gz VHECGFMVFFCOGO-AWEZNQCLSA-N 1 0 303.333 2.633 20 10 DFCDRO CCC[C@]1(CO)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000288715900 131336164 /nfs/dbraw/zinc/33/61/64/131336164.db2.gz 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/nfs/dbraw/zinc/01/95/73/543019573.db2.gz RUYFUAUEAAHDPB-UHFFFAOYSA-N 1 0 322.206 2.585 20 10 DFCDRO CC[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000156787485 425935620 /nfs/dbraw/zinc/93/56/20/425935620.db2.gz YHFLJAOXFBYZGQ-MAUKXSAKSA-N 1 0 305.466 2.514 20 10 DFCDRO COc1cc(C[N@H+](C)Cc2cccc(OC)c2O)ccc1O ZINC000125981809 425998823 /nfs/dbraw/zinc/99/88/23/425998823.db2.gz GSRPUKKLQSXNIP-UHFFFAOYSA-N 1 0 303.358 2.747 20 10 DFCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1[N+](=O)[O-] ZINC000109769070 426032043 /nfs/dbraw/zinc/03/20/43/426032043.db2.gz ZQASNRSVWUNUHL-UHFFFAOYSA-N 1 0 302.330 2.941 20 10 DFCDRO C[N@H+](CC(=O)NCCC1=CCCCC1)Cc1ccccc1O ZINC000109769370 426032330 /nfs/dbraw/zinc/03/23/30/426032330.db2.gz MMQFCMHJKRIQAO-UHFFFAOYSA-N 1 0 302.418 2.831 20 10 DFCDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1O ZINC000109769102 426033433 /nfs/dbraw/zinc/03/34/33/426033433.db2.gz JWKHPQVEWNWJBL-UHFFFAOYSA-N 1 0 302.330 2.811 20 10 DFCDRO CCOC(=O)N1CCC([NH2+]Cc2cccc(OCC)c2O)CC1 ZINC000074314695 426046350 /nfs/dbraw/zinc/04/63/50/426046350.db2.gz JVANSWLBXJVSOL-UHFFFAOYSA-N 1 0 322.405 2.501 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000127411797 426065552 /nfs/dbraw/zinc/06/55/52/426065552.db2.gz JWCCQAVZPPTSQF-UHFFFAOYSA-N 1 0 311.429 2.872 20 10 DFCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000112347744 426073051 /nfs/dbraw/zinc/07/30/51/426073051.db2.gz FMOGMEKGPYWYAM-INIZCTEOSA-N 1 0 314.360 2.769 20 10 DFCDRO C[C@H](C(=O)NCCc1cccs1)[N@H+](C)Cc1ccccc1O ZINC000114721352 426143792 /nfs/dbraw/zinc/14/37/92/426143792.db2.gz LTBVFGNVQQMTOX-CYBMUJFWSA-N 1 0 318.442 2.633 20 10 DFCDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1ccccc1O ZINC000079495807 426194556 /nfs/dbraw/zinc/19/45/56/426194556.db2.gz VYOXTAAEWPIIKQ-OAHLLOKOSA-N 1 0 307.438 2.510 20 10 DFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCC(F)(F)F ZINC000174374945 426255025 /nfs/dbraw/zinc/25/50/25/426255025.db2.gz JDPYOZJPVQAMBT-NSHDSACASA-N 1 0 318.339 2.671 20 10 DFCDRO CC[N@H+](CCC(=O)OC)Cc1cc(Br)ccc1O ZINC000174424172 426256694 /nfs/dbraw/zinc/25/66/94/426256694.db2.gz BINXFHBKDSJYBU-UHFFFAOYSA-N 1 0 316.195 2.540 20 10 DFCDRO CC[C@@H]([NH2+]CC(C)(C)O)c1cc(Br)ccc1O ZINC000087009589 426262066 /nfs/dbraw/zinc/26/20/66/426262066.db2.gz GORMSVSYEGLNNK-LLVKDONJSA-N 1 0 302.212 2.966 20 10 DFCDRO CCCCOCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000119564071 426297549 /nfs/dbraw/zinc/29/75/49/426297549.db2.gz CMOZGGSNSQPJSA-INIZCTEOSA-N 1 0 306.450 2.991 20 10 DFCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119756158 426302886 /nfs/dbraw/zinc/30/28/86/426302886.db2.gz HRZQCAVNEYYQEF-OFQRWUPVSA-N 1 0 322.424 2.738 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000089728993 426304767 /nfs/dbraw/zinc/30/47/67/426304767.db2.gz XGQSWJBZYWGSFF-IRXDYDNUSA-N 1 0 303.450 2.803 20 10 DFCDRO Cc1cc(O)c(C[N@H+]2CCCN(C(=O)C(C)C)CC2)cc1C ZINC000151922350 426318547 /nfs/dbraw/zinc/31/85/47/426318547.db2.gz WAVLOBHMMKNLJZ-UHFFFAOYSA-N 1 0 304.434 2.699 20 10 DFCDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000122790435 426395119 /nfs/dbraw/zinc/39/51/19/426395119.db2.gz UQNSAKQMPCKELO-QVKFZJNVSA-N 1 0 308.491 2.924 20 10 DFCDRO Cc1cnc(C(C)(C)[NH2+]Cc2cc3c(cc2O)OCO3)s1 ZINC000175983787 426342812 /nfs/dbraw/zinc/34/28/12/426342812.db2.gz WQALWNTUZKGIIR-UHFFFAOYSA-N 1 0 306.387 2.911 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c(O)c1 ZINC000091927910 426344405 /nfs/dbraw/zinc/34/44/05/426344405.db2.gz YYUTVSIOUWCEPO-ROUUACIJSA-N 1 0 321.417 2.561 20 10 DFCDRO CCOc1ccc(O)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000092047356 426346569 /nfs/dbraw/zinc/34/65/69/426346569.db2.gz UBLXTEFBWCQLET-INIZCTEOSA-N 1 0 304.434 2.851 20 10 DFCDRO Cc1nc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000092787553 426353273 /nfs/dbraw/zinc/35/32/73/426353273.db2.gz KEFNGRGUXPSMIX-UHFFFAOYSA-N 1 0 300.406 2.824 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](COCCOC)C2)c(O)c1 ZINC000093755288 426358217 /nfs/dbraw/zinc/35/82/17/426358217.db2.gz YZHJAEYCAWGMRR-HNNXBMFYSA-N 1 0 323.433 2.666 20 10 DFCDRO CCOc1cccc(C[N@H+](C)CCC(=O)OC(C)(C)C)c1O ZINC000093686632 426358274 /nfs/dbraw/zinc/35/82/74/426358274.db2.gz HKFVSHWSHDFHCX-UHFFFAOYSA-N 1 0 309.406 2.955 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](C)CCCC(=O)NC)cc1F ZINC000093717658 426358392 /nfs/dbraw/zinc/35/83/92/426358392.db2.gz JFCGVBURDVKYGV-UHFFFAOYSA-N 1 0 309.429 2.630 20 10 DFCDRO CCCNC(=O)C1([NH2+]Cc2cccc(OC)c2O)CCCCC1 ZINC000154524690 426443525 /nfs/dbraw/zinc/44/35/25/426443525.db2.gz DRAQVWZEFMCCAL-UHFFFAOYSA-N 1 0 320.433 2.720 20 10 DFCDRO CC[C@H]([NH2+]C1CCN(CCOC)CC1)c1ccc(N(C)C)cc1 ZINC000154851619 426457058 /nfs/dbraw/zinc/45/70/58/426457058.db2.gz BUBCWKMHACVDSJ-IBGZPJMESA-N 1 0 319.493 2.904 20 10 DFCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccc(C)cc2O)C1 ZINC000280214420 426522101 /nfs/dbraw/zinc/52/21/01/426522101.db2.gz UIBOCIZCTWEHON-HIFRSBDPSA-N 1 0 305.422 2.545 20 10 DFCDRO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186539543 426546164 /nfs/dbraw/zinc/54/61/64/426546164.db2.gz KVDSPGMUHXYRGY-GSRNSYJJSA-N 1 0 320.252 2.572 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000186165653 426489488 /nfs/dbraw/zinc/48/94/88/426489488.db2.gz QJVXVWVBUXFJPV-BFUOFWGJSA-N 1 0 313.397 2.885 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cc(F)ccc1O ZINC000186172405 426490763 /nfs/dbraw/zinc/49/07/63/426490763.db2.gz AYKZXIGDTVKESU-OCCSQVGLSA-N 1 0 301.365 2.856 20 10 DFCDRO CCCN(Cc1cc2c(cc1O)OCO2)c1ccc(C[NH3+])cc1 ZINC000194979017 426496806 /nfs/dbraw/zinc/49/68/06/426496806.db2.gz LQWXRYQHJXRASD-UHFFFAOYSA-N 1 0 314.385 2.996 20 10 DFCDRO CCCN(Cc1ccc(C(=O)N(C)C)[nH]1)c1ccc(C[NH3+])cc1 ZINC000194977218 426497300 /nfs/dbraw/zinc/49/73/00/426497300.db2.gz WNGBCMKUORPRFC-UHFFFAOYSA-N 1 0 314.433 2.592 20 10 DFCDRO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)CC2 ZINC000186294128 426501156 /nfs/dbraw/zinc/50/11/56/426501156.db2.gz ILKJCEMGFXFQFV-WCQYABFASA-N 1 0 318.396 2.912 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCOCC2 ZINC000186306380 426501890 /nfs/dbraw/zinc/50/18/90/426501890.db2.gz SAPDLZCHOWEDMZ-QZTJIDSGSA-N 1 0 317.429 2.685 20 10 DFCDRO CC[C@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1ccc(C)cc1O ZINC000280065945 426504012 /nfs/dbraw/zinc/50/40/12/426504012.db2.gz KSGSCJHRZGMGFF-INIZCTEOSA-N 1 0 300.402 2.949 20 10 DFCDRO CC[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(N(C)C)cc1 ZINC000178490963 426639167 /nfs/dbraw/zinc/63/91/67/426639167.db2.gz ILRIHNZEGVNFNE-INIZCTEOSA-N 1 0 315.417 2.816 20 10 DFCDRO COC[C@@]1(C[NH2+]Cc2ccccc2O)OCCc2ccccc21 ZINC000289836938 426675460 /nfs/dbraw/zinc/67/54/60/426675460.db2.gz MZCUWPIIKDZTJA-LJQANCHMSA-N 1 0 313.397 2.596 20 10 DFCDRO CCCOc1ccc(C[NH2+]CCc2cccnc2OC)c(O)c1 ZINC000289938380 426677274 /nfs/dbraw/zinc/67/72/74/426677274.db2.gz WSQPSXLMVFQFHM-UHFFFAOYSA-N 1 0 316.401 2.917 20 10 DFCDRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000236714548 426678606 /nfs/dbraw/zinc/67/86/06/426678606.db2.gz NGVLZNFCJKLGBQ-KRWDZBQOSA-N 1 0 303.450 2.619 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000227438771 426625909 /nfs/dbraw/zinc/62/59/09/426625909.db2.gz SUQQNGIBZCQVNZ-SNVBAGLBSA-N 1 0 300.196 2.671 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]CCc1nccs1 ZINC000227442697 426627093 /nfs/dbraw/zinc/62/70/93/426627093.db2.gz OSVMUFAZBIPVIY-UHFFFAOYSA-N 1 0 313.220 2.944 20 10 DFCDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000281302171 426709520 /nfs/dbraw/zinc/70/95/20/426709520.db2.gz YRLFDZSIOFOSIK-WCQYABFASA-N 1 0 310.825 2.955 20 10 DFCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Cl)ccc1O ZINC000281283295 426709942 /nfs/dbraw/zinc/70/99/42/426709942.db2.gz XOWRNMBCNMXBIT-JTQLQIEISA-N 1 0 317.838 2.664 20 10 DFCDRO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000281363800 426717644 /nfs/dbraw/zinc/71/76/44/426717644.db2.gz VBAOMYAQHSTZIG-AWEZNQCLSA-N 1 0 315.373 2.582 20 10 DFCDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000237567934 426694094 /nfs/dbraw/zinc/69/40/94/426694094.db2.gz QMWXUFNSDXESEE-DNVCBOLYSA-N 1 0 323.440 2.591 20 10 DFCDRO Oc1ccc(F)cc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000290266932 426728015 /nfs/dbraw/zinc/72/80/15/426728015.db2.gz XHFVESCXDHBIHJ-UHFFFAOYSA-N 1 0 301.365 2.816 20 10 DFCDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000178961610 426728075 /nfs/dbraw/zinc/72/80/75/426728075.db2.gz XFRANQNNDUWDGZ-INIZCTEOSA-N 1 0 311.429 2.776 20 10 DFCDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000290299870 426737382 /nfs/dbraw/zinc/73/73/82/426737382.db2.gz YQVBVFSRCPAMMW-WBAXXEDZSA-N 1 0 304.434 2.741 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245696109 426762883 /nfs/dbraw/zinc/76/28/83/426762883.db2.gz CGFABKXOSLAWDW-PKOBYXMFSA-N 1 0 316.445 2.524 20 10 DFCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179558266 426802903 /nfs/dbraw/zinc/80/29/03/426802903.db2.gz DQMOCZLRBFMBHI-HNNXBMFYSA-N 1 0 308.385 2.815 20 10 DFCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179566332 426803188 /nfs/dbraw/zinc/80/31/88/426803188.db2.gz NLZILSDNSNUWEY-GDBMZVCRSA-N 1 0 304.434 2.909 20 10 DFCDRO CCCOc1ccc(CNCc2ncnn2C(C)(C)C)c(O)c1 ZINC000282191317 426849988 /nfs/dbraw/zinc/84/99/88/426849988.db2.gz BLZSDMNSSLORHV-UHFFFAOYSA-N 1 0 318.421 2.817 20 10 DFCDRO CCCC[N@H+](Cc1cc(=O)c(O)co1)Cc1ccccc1O ZINC000282450441 426914913 /nfs/dbraw/zinc/91/49/13/426914913.db2.gz LUIRBGYOARDGBR-UHFFFAOYSA-N 1 0 303.358 2.853 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000282510775 426917560 /nfs/dbraw/zinc/91/75/60/426917560.db2.gz YXTAKMMCYPNREJ-MPGHIAIKSA-N 1 0 315.461 2.995 20 10 DFCDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1O ZINC000282537154 426919231 /nfs/dbraw/zinc/91/92/31/426919231.db2.gz VQCJHEUAEQFZQV-UHFFFAOYSA-N 1 0 318.377 2.799 20 10 DFCDRO CC(C)OCc1nc([C@H](C)NCc2ccc3c(c2)CCO3)no1 ZINC000290949155 426873374 /nfs/dbraw/zinc/87/33/74/426873374.db2.gz QLVBZLPGSJOSIF-LBPRGKRZSA-N 1 0 317.389 2.780 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291319678 426882654 /nfs/dbraw/zinc/88/26/54/426882654.db2.gz SLUWINPZAHMDEF-IBGZPJMESA-N 1 0 313.397 2.537 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291323634 426883414 /nfs/dbraw/zinc/88/34/14/426883414.db2.gz SZZPKQPFHNIDAW-AWEZNQCLSA-N 1 0 314.360 2.735 20 10 DFCDRO CCOc1cccc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1O ZINC000283065986 426946009 /nfs/dbraw/zinc/94/60/09/426946009.db2.gz UINSCZIYXNIIKJ-AWEZNQCLSA-N 1 0 301.390 2.692 20 10 DFCDRO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)CC[C@H]1O ZINC000276011723 426964787 /nfs/dbraw/zinc/96/47/87/426964787.db2.gz PYXACGLDQRCGJD-CYBMUJFWSA-N 1 0 314.223 2.748 20 10 DFCDRO CN(c1ccc(CNC(=O)C2([NH3+])CCC2)cc1)C1CCCCC1 ZINC000296084343 427070115 /nfs/dbraw/zinc/07/01/15/427070115.db2.gz QUJJSAVAODUPHW-UHFFFAOYSA-N 1 0 315.461 2.953 20 10 DFCDRO Cc1cc(C(=O)N[C@@H](C)CCCC[NH3+])c(C)n1-c1ccccn1 ZINC000292058205 427073732 /nfs/dbraw/zinc/07/37/32/427073732.db2.gz JWSKBKRHQHIOMA-ZDUSSCGKSA-N 1 0 314.433 2.736 20 10 DFCDRO CCn1cc([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cn1 ZINC000296103856 427075948 /nfs/dbraw/zinc/07/59/48/427075948.db2.gz QDVKIWSTZAKPJF-JTQLQIEISA-N 1 0 305.353 2.801 20 10 DFCDRO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ncnn1C ZINC000276698631 427116955 /nfs/dbraw/zinc/11/69/55/427116955.db2.gz VNQUNVQCPZLWCY-RYUDHWBXSA-N 1 0 300.406 2.811 20 10 DFCDRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)c1ncnn1C ZINC000276698635 427118350 /nfs/dbraw/zinc/11/83/50/427118350.db2.gz VNQUNVQCPZLWCY-VXGBXAGGSA-N 1 0 300.406 2.811 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268797787 427119843 /nfs/dbraw/zinc/11/98/43/427119843.db2.gz CLHOWXWJKJHWSU-UKRRQHHQSA-N 1 0 319.424 2.697 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCN(CCOC)C1)c1ccc(N(C)C)cc1 ZINC000268941356 427137368 /nfs/dbraw/zinc/13/73/68/427137368.db2.gz STMCDHDRTLZLCZ-WMZOPIPTSA-N 1 0 305.466 2.514 20 10 DFCDRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000269007350 427145021 /nfs/dbraw/zinc/14/50/21/427145021.db2.gz LPQFSQBIMWEBBQ-GDBMZVCRSA-N 1 0 324.440 2.864 20 10 DFCDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292658800 427195856 /nfs/dbraw/zinc/19/58/56/427195856.db2.gz AFIQWTULZMEUKN-QGZVFWFLSA-N 1 0 306.450 2.546 20 10 DFCDRO COC1CCN(c2ccc(CN3CCO[C@@H](C)C3)cc2)CC1 ZINC000296513643 427204558 /nfs/dbraw/zinc/20/45/58/427204558.db2.gz MGHDYJWNVWKMTJ-HNNXBMFYSA-N 1 0 304.434 2.523 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)c1O ZINC000292921811 427205438 /nfs/dbraw/zinc/20/54/38/427205438.db2.gz BWEUDMOGLDOPHA-SFHVURJKSA-N 1 0 323.408 2.964 20 10 DFCDRO COc1ccc(N2CCN(CCc3cscn3)CC2)cc1F ZINC000296791581 427235140 /nfs/dbraw/zinc/23/51/40/427235140.db2.gz OEEGXHKJTXQDTI-UHFFFAOYSA-N 1 0 321.421 2.656 20 10 DFCDRO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000269647610 427240496 /nfs/dbraw/zinc/24/04/96/427240496.db2.gz PTIBGGFEWQJTQD-KRWDZBQOSA-N 1 0 315.413 2.881 20 10 DFCDRO C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000183463868 427273771 /nfs/dbraw/zinc/27/37/71/427273771.db2.gz KMYOJRDYFPQJBX-XHSDSOJGSA-N 1 0 306.450 2.932 20 10 DFCDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1O ZINC000183505437 427281200 /nfs/dbraw/zinc/28/12/00/427281200.db2.gz XWSPJOIJJGJACP-YOEHRIQHSA-N 1 0 312.413 2.742 20 10 DFCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccccc1O ZINC000183610943 427303156 /nfs/dbraw/zinc/30/31/56/427303156.db2.gz NOQNQNNNACOPEO-CYBMUJFWSA-N 1 0 302.374 2.764 20 10 DFCDRO CCOC(=O)[C@H](CC)N(Cc1cccc(OC)c1O)C1CC1 ZINC000191658685 427402375 /nfs/dbraw/zinc/40/23/75/427402375.db2.gz YGFHNQLDJZELAW-AWEZNQCLSA-N 1 0 307.390 2.707 20 10 DFCDRO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297504896 427408387 /nfs/dbraw/zinc/40/83/87/427408387.db2.gz CEVGFEMRIWQBPE-CYBMUJFWSA-N 1 0 306.406 2.884 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)[C@H](O)C(F)(F)F)c1 ZINC000270972497 427366346 /nfs/dbraw/zinc/36/63/46/427366346.db2.gz JRXYRPPAGRVTOS-AAEUAGOBSA-N 1 0 307.312 2.582 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cc[nH]n2)c1O ZINC000278706778 427450297 /nfs/dbraw/zinc/45/02/97/427450297.db2.gz UCCJNGRLVAIRSV-OAHLLOKOSA-N 1 0 303.337 2.794 20 10 DFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCSC1 ZINC000278408086 427434188 /nfs/dbraw/zinc/43/41/88/427434188.db2.gz GRNMMYSNPUAZRV-MRXNPFEDSA-N 1 0 306.475 2.708 20 10 DFCDRO CCOc1ccc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000271182614 427435646 /nfs/dbraw/zinc/43/56/46/427435646.db2.gz YAHFFYAEMQZSBH-INIZCTEOSA-N 1 0 304.434 2.851 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278416660 427435935 /nfs/dbraw/zinc/43/59/35/427435935.db2.gz QUJWXYRWFKMLFP-FZMZJTMJSA-N 1 0 319.323 2.536 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000278414170 427437006 /nfs/dbraw/zinc/43/70/06/427437006.db2.gz FOFFPZJNOQCQLV-ZQIUZPCESA-N 1 0 322.424 2.738 20 10 DFCDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccncc1 ZINC000278528220 427440988 /nfs/dbraw/zinc/44/09/88/427440988.db2.gz UKPDVPRFBHYKDB-ZDUSSCGKSA-N 1 0 317.345 2.945 20 10 DFCDRO COc1c([O-])c(C[NH2+][C@@H]2CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000278488760 427441619 /nfs/dbraw/zinc/44/16/19/427441619.db2.gz KWSCVNAMPYKHRU-GFCCVEGCSA-N 1 0 322.361 2.500 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CO)C(C)(C)C)c1O ZINC000278613741 427444762 /nfs/dbraw/zinc/44/47/62/427444762.db2.gz GTJRSOAQQONKAZ-LBPRGKRZSA-N 1 0 316.239 2.960 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000271199120 427445492 /nfs/dbraw/zinc/44/54/92/427445492.db2.gz OVGRJSKKCLZJOU-YJBOKZPZSA-N 1 0 305.418 2.918 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CC[C@H](OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278616558 427446780 /nfs/dbraw/zinc/44/67/80/427446780.db2.gz FHEFAMMLRIWQOC-ZDUSSCGKSA-N 1 0 324.377 2.556 20 10 DFCDRO CCc1nc(CC[NH2+][C@@H](C)c2ccc(N(C)CC)cc2)no1 ZINC000271460574 427548323 /nfs/dbraw/zinc/54/83/23/427548323.db2.gz JXDJTKNQVNALGB-ZDUSSCGKSA-N 1 0 302.422 2.981 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Br)cc1O ZINC000184851329 427552029 /nfs/dbraw/zinc/55/20/29/427552029.db2.gz DLNRBZSXMFWYNU-KOLCDFICSA-N 1 0 300.196 2.984 20 10 DFCDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184869421 427557013 /nfs/dbraw/zinc/55/70/13/427557013.db2.gz XAPCIOWTPAULDG-ZDUSSCGKSA-N 1 0 304.434 2.694 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c(O)c1 ZINC000184915677 427563849 /nfs/dbraw/zinc/56/38/49/427563849.db2.gz UHHPVVSSJPVAIB-WBVHZDCISA-N 1 0 306.450 2.708 20 10 DFCDRO C[C@H](C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)N1CCOCC1 ZINC000184935583 427566575 /nfs/dbraw/zinc/56/65/75/427566575.db2.gz QKDBKDSGCGOXNW-HUUCEWRRSA-N 1 0 318.461 2.642 20 10 DFCDRO C[C@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)N1CCOCC1 ZINC000184935537 427567004 /nfs/dbraw/zinc/56/70/04/427567004.db2.gz QKDBKDSGCGOXNW-CABCVRRESA-N 1 0 318.461 2.642 20 10 DFCDRO C[S@@](=O)C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000184937930 427567766 /nfs/dbraw/zinc/56/77/66/427567766.db2.gz FHUWABFJDLPSRR-YCRPNKLZSA-N 1 0 307.390 2.741 20 10 DFCDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000271724703 427584015 /nfs/dbraw/zinc/58/40/15/427584015.db2.gz YLLWKURHDMNNPH-ZDUSSCGKSA-N 1 0 305.399 2.517 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000271803080 427584969 /nfs/dbraw/zinc/58/49/69/427584969.db2.gz JHYMEKHWDLRRGG-QGZVFWFLSA-N 1 0 305.349 2.537 20 10 DFCDRO Cc1cccc(C[N@H+](C)C[C@H]2CCCN2c2cccnn2)c1O ZINC000271719783 427585024 /nfs/dbraw/zinc/58/50/24/427585024.db2.gz JJVWEGZEUBXLOY-MRXNPFEDSA-N 1 0 312.417 2.591 20 10 DFCDRO CC(=O)NC1CCC([NH2+]Cc2cc(Cl)cc(C)c2O)CC1 ZINC000271909285 427592181 /nfs/dbraw/zinc/59/21/81/427592181.db2.gz XOZMBAJCICQQIG-UHFFFAOYSA-N 1 0 310.825 2.891 20 10 DFCDRO COc1ccc(O)c(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000271900143 427592772 /nfs/dbraw/zinc/59/27/72/427592772.db2.gz ZAIQUOQRNXXLDE-CQSZACIVSA-N 1 0 307.390 2.707 20 10 DFCDRO Cc1cc(Cl)cc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000271903979 427593057 /nfs/dbraw/zinc/59/30/57/427593057.db2.gz ZXRLOBMQAXPAED-QQKBFRNYSA-N 1 0 301.839 2.695 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000185127627 427600305 /nfs/dbraw/zinc/60/03/05/427600305.db2.gz RXWOBUUUQQWZBE-UKRRQHHQSA-N 1 0 319.376 2.930 20 10 DFCDRO C[C@@H](CCCO)C[NH2+]Cc1cc(Br)ccc1O ZINC000294734835 427648413 /nfs/dbraw/zinc/64/84/13/427648413.db2.gz GPPHWWKHTRMEFK-JTQLQIEISA-N 1 0 302.212 2.653 20 10 DFCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000294741945 427649301 /nfs/dbraw/zinc/64/93/01/427649301.db2.gz QVOPWGGVSWBELL-SJORKVTESA-N 1 0 324.490 2.718 20 10 DFCDRO CC[C@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccccc1O ZINC000294775919 427657531 /nfs/dbraw/zinc/65/75/31/427657531.db2.gz KRRSTYOMPWKBIJ-INIZCTEOSA-N 1 0 323.433 2.645 20 10 DFCDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193075823 427661357 /nfs/dbraw/zinc/66/13/57/427661357.db2.gz PIACDOXKJVSUJD-UHFFFAOYSA-N 1 0 320.433 2.682 20 10 DFCDRO COC[C@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295032495 427670385 /nfs/dbraw/zinc/67/03/85/427670385.db2.gz NFSXOKAGUWOSHA-KRWDZBQOSA-N 1 0 318.461 2.770 20 10 DFCDRO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185774665 427703870 /nfs/dbraw/zinc/70/38/70/427703870.db2.gz SBTCEWWJUPHPKN-TZMCWYRMSA-N 1 0 316.405 2.624 20 10 DFCDRO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185774713 427704459 /nfs/dbraw/zinc/70/44/59/427704459.db2.gz SBTCEWWJUPHPKN-OCCSQVGLSA-N 1 0 316.405 2.624 20 10 DFCDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000185788441 427705318 /nfs/dbraw/zinc/70/53/18/427705318.db2.gz NCEHINUDWWRWMQ-CJNGLKHVSA-N 1 0 316.445 2.933 20 10 DFCDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185800852 427708486 /nfs/dbraw/zinc/70/84/86/427708486.db2.gz RNIHNSONVDLNEH-GXSJLCMTSA-N 1 0 302.212 2.966 20 10 DFCDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185802222 427709232 /nfs/dbraw/zinc/70/92/32/427709232.db2.gz QDDWMHHEMIYVQC-ONGXEEELSA-N 1 0 302.212 2.966 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1 ZINC000279619374 427712832 /nfs/dbraw/zinc/71/28/32/427712832.db2.gz GPPNZEDMEUJZOL-APWZRJJASA-N 1 0 318.461 2.913 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]CCN1CC=CCC1 ZINC000279802169 427716935 /nfs/dbraw/zinc/71/69/35/427716935.db2.gz NPFVXKWXUYVQLG-UHFFFAOYSA-N 1 0 311.223 2.506 20 10 DFCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279761018 427718856 /nfs/dbraw/zinc/71/88/56/427718856.db2.gz DXJHDOGAMRJEQO-KRWDZBQOSA-N 1 0 314.429 2.514 20 10 DFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000186029735 427743056 /nfs/dbraw/zinc/74/30/56/427743056.db2.gz SVXXEAKVIDGOOM-NXEZZACHSA-N 1 0 305.827 2.519 20 10 DFCDRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1=O ZINC000186048420 427743606 /nfs/dbraw/zinc/74/36/06/427743606.db2.gz OQDYMFQWABEXEC-CXAGYDPISA-N 1 0 316.445 2.931 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(SC)CCOCC2)c1 ZINC000186080996 427745312 /nfs/dbraw/zinc/74/53/12/427745312.db2.gz MVZLJPONAWSZJG-LBPRGKRZSA-N 1 0 311.447 2.964 20 10 DFCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000186109360 427748181 /nfs/dbraw/zinc/74/81/81/427748181.db2.gz QVRBQODLCAUXQH-CMPLNLGQSA-N 1 0 311.813 2.500 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1O ZINC000359977110 428101775 /nfs/dbraw/zinc/10/17/75/428101775.db2.gz VNXFFJDLMPYAPA-BXUZGUMPSA-N 1 0 310.825 2.580 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000370212095 428157609 /nfs/dbraw/zinc/15/76/09/428157609.db2.gz HBQXJYMEXCTUHH-GDBMZVCRSA-N 1 0 300.406 2.847 20 10 DFCDRO CCOCc1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)ccc1OC ZINC000370730527 428286574 /nfs/dbraw/zinc/28/65/74/428286574.db2.gz OTMYNECBYPRFRA-HNNXBMFYSA-N 1 0 315.417 2.602 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1O ZINC000360338836 428258390 /nfs/dbraw/zinc/25/83/90/428258390.db2.gz VDKSWZLIIFPJCE-GJZGRUSLSA-N 1 0 312.417 2.749 20 10 DFCDRO Cc1n[nH]c(C2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000371422118 428388013 /nfs/dbraw/zinc/38/80/13/428388013.db2.gz AWAWFORKGFLEMQ-UHFFFAOYSA-N 1 0 317.412 2.698 20 10 DFCDRO Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)n1 ZINC000371414867 428389366 /nfs/dbraw/zinc/38/93/66/428389366.db2.gz MSTCXADRTGUCEP-MRXNPFEDSA-N 1 0 300.406 2.746 20 10 DFCDRO COc1cc(O)c(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1OC ZINC000371416715 428390070 /nfs/dbraw/zinc/39/00/70/428390070.db2.gz HWRGQMRPKJZSNL-UHFFFAOYSA-N 1 0 317.389 2.512 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1N1CCOCC1)c1ccccc1O ZINC000371681555 428399993 /nfs/dbraw/zinc/39/99/93/428399993.db2.gz ROQGURLERIANNP-UXLLHSPISA-N 1 0 304.434 2.544 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)c(O)c1C ZINC000371877218 428406909 /nfs/dbraw/zinc/40/69/09/428406909.db2.gz UBKIBIQBQAVBKZ-HUUCEWRRSA-N 1 0 314.433 2.672 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064295 428412569 /nfs/dbraw/zinc/41/25/69/428412569.db2.gz BAEFRTKKOIQBHE-OTWHNJEPSA-N 1 0 317.477 2.657 20 10 DFCDRO C[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000371248122 428379623 /nfs/dbraw/zinc/37/96/23/428379623.db2.gz UJHBZAZGKATLBW-BYCMXARLSA-N 1 0 322.836 2.782 20 10 DFCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCN3C)cc1 ZINC000372410305 428443289 /nfs/dbraw/zinc/44/32/89/428443289.db2.gz BBZWFJVORUCDFD-UHFFFAOYSA-N 1 0 310.397 2.755 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000372412927 428443915 /nfs/dbraw/zinc/44/39/15/428443915.db2.gz CFZMSAAHCNDTGL-GOSISDBHSA-N 1 0 315.461 2.730 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000372413469 428444684 /nfs/dbraw/zinc/44/46/84/428444684.db2.gz LVOWIDSZOFLQPP-MRXNPFEDSA-N 1 0 302.418 2.678 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@@H](Oc3cccnc3C)C2)c1O ZINC000372817178 428502825 /nfs/dbraw/zinc/50/28/25/428502825.db2.gz XWCOQZUBRFGVEO-OAHLLOKOSA-N 1 0 314.385 2.758 20 10 DFCDRO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2ccccc2O)n1 ZINC000361052168 428533205 /nfs/dbraw/zinc/53/32/05/428533205.db2.gz MAZCRLPZJBCQEN-MRXNPFEDSA-N 1 0 300.406 2.655 20 10 DFCDRO O=C([C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O)N1CCCC1 ZINC000361049384 428533364 /nfs/dbraw/zinc/53/33/64/428533364.db2.gz CMILEFZMKBBEHW-HNNXBMFYSA-N 1 0 306.381 2.508 20 10 DFCDRO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000361100807 428534456 /nfs/dbraw/zinc/53/44/56/428534456.db2.gz AKMKADMGOKDMSZ-OAHLLOKOSA-N 1 0 315.461 2.707 20 10 DFCDRO Cc1cccc(CN(C)[C@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000362048071 428612029 /nfs/dbraw/zinc/61/20/29/428612029.db2.gz UYSOLQUMKHOUIY-HNNXBMFYSA-N 1 0 317.410 2.661 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000373974599 428658552 /nfs/dbraw/zinc/65/85/52/428658552.db2.gz ZXZLLGHGDYWPCN-GOSISDBHSA-N 1 0 315.461 2.585 20 10 DFCDRO CN1CCC2(CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1=O ZINC000373915874 428655099 /nfs/dbraw/zinc/65/50/99/428655099.db2.gz AYLDSYLWMSMCBS-UHFFFAOYSA-N 1 0 324.424 2.990 20 10 DFCDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000362234557 428669762 /nfs/dbraw/zinc/66/97/62/428669762.db2.gz IBOPLXYSAHODBF-SJORKVTESA-N 1 0 302.418 2.676 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@]3(C(=O)OC)C2)c1O ZINC000374682894 428730515 /nfs/dbraw/zinc/73/05/15/428730515.db2.gz NBFDKXBNMIHNHV-KDOFPFPSSA-N 1 0 319.401 2.566 20 10 DFCDRO C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)c1cc(Cl)ccc1O ZINC000374503477 428687962 /nfs/dbraw/zinc/68/79/62/428687962.db2.gz IWAAEDAIZMEPKU-BPNCWPANSA-N 1 0 308.809 2.850 20 10 DFCDRO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000374917607 428785455 /nfs/dbraw/zinc/78/54/55/428785455.db2.gz YWBPZNKRQGLDFX-HNNXBMFYSA-N 1 0 306.381 2.508 20 10 DFCDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2c(O)ccc3ccccc32)CC1=O ZINC000363415895 428912329 /nfs/dbraw/zinc/91/23/29/428912329.db2.gz YUXQAOXKLXTYFY-HACGYAERSA-N 1 0 310.397 2.644 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(-n3ccnc3)c2)c1 ZINC000363855267 429000888 /nfs/dbraw/zinc/00/08/88/429000888.db2.gz NIQYJILHWRRGBN-ZDUSSCGKSA-N 1 0 324.384 2.832 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC3(CC2)SCC(=O)N3C)cc1C ZINC000363872800 429132102 /nfs/dbraw/zinc/13/21/02/429132102.db2.gz ABKTYPTUJSCPSS-UHFFFAOYSA-N 1 0 320.458 2.506 20 10 DFCDRO c1ncn([C@@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000364514823 429217857 /nfs/dbraw/zinc/21/78/57/429217857.db2.gz ZIXDJSSMILNHSS-GOSISDBHSA-N 1 0 311.433 2.715 20 10 DFCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](C)O2 ZINC000365751450 429367278 /nfs/dbraw/zinc/36/72/78/429367278.db2.gz CETDPMYZDWRYQJ-WQGACYEGSA-N 1 0 311.809 2.814 20 10 DFCDRO O=C(NCc1ccccc1O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000367395328 429641124 /nfs/dbraw/zinc/64/11/24/429641124.db2.gz WMJBRSRLWOKDKU-INIZCTEOSA-N 1 0 302.418 2.806 20 10 DFCDRO Cc1cc(CN2CCC([N@H+](C)Cc3ccccc3O)CC2)on1 ZINC000367444653 429649547 /nfs/dbraw/zinc/64/95/47/429649547.db2.gz HXAUMMQXMRYLPD-UHFFFAOYSA-N 1 0 315.417 2.785 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1C ZINC000367669262 429695435 /nfs/dbraw/zinc/69/54/35/429695435.db2.gz RLVCVUHQEPZLJF-CQSZACIVSA-N 1 0 312.417 2.761 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O ZINC000367803076 429720517 /nfs/dbraw/zinc/72/05/17/429720517.db2.gz QSWHEHPQJSLRJG-GDBMZVCRSA-N 1 0 310.397 2.844 20 10 DFCDRO COc1cccc(CN2CCc3nc(C(C)C)ncc3C2)c1O ZINC000527619253 429767391 /nfs/dbraw/zinc/76/73/91/429767391.db2.gz PWXXMNHTXWYUFV-UHFFFAOYSA-N 1 0 313.401 2.873 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000368047059 429775148 /nfs/dbraw/zinc/77/51/48/429775148.db2.gz ZRBFJYXDPQUNKD-GLJUWKHASA-N 1 0 321.417 2.732 20 10 DFCDRO CCn1nncc1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000527920708 429821019 /nfs/dbraw/zinc/82/10/19/429821019.db2.gz RAJBGRIHNWCZBT-GFCCVEGCSA-N 1 0 300.406 2.733 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc(Cl)ccc1O ZINC000368331491 429831510 /nfs/dbraw/zinc/83/15/10/429831510.db2.gz JYISWNFWSIHGQV-IQOUGMIPSA-N 1 0 308.809 2.706 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(OC)nc2)c1 ZINC000527991232 429832299 /nfs/dbraw/zinc/83/22/99/429832299.db2.gz UPORHRUCLNISOM-GFCCVEGCSA-N 1 0 302.374 2.698 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1C ZINC000369098391 429912919 /nfs/dbraw/zinc/91/29/19/429912919.db2.gz DARWZKXPKBOUIZ-KRWDZBQOSA-N 1 0 315.417 2.678 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000368586791 429871732 /nfs/dbraw/zinc/87/17/32/429871732.db2.gz ZPFYARURNSKXHX-IRXDYDNUSA-N 1 0 310.397 2.756 20 10 DFCDRO CN1c2ccccc2N(Cc2cccc3c2CC[NH2+]C3)CCC1=O ZINC000662256629 431017797 /nfs/dbraw/zinc/01/77/97/431017797.db2.gz MFELYHLONKCVIL-UHFFFAOYSA-N 1 0 321.424 2.705 20 10 DFCDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000281047737 279361470 /nfs/dbraw/zinc/36/14/70/279361470.db2.gz ZYQJIXWHTRVKGK-MNOVXSKESA-N 1 0 304.356 2.878 20 10 DFCDRO COc1ccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)cc1F ZINC000662637867 431146271 /nfs/dbraw/zinc/14/62/71/431146271.db2.gz KBAVEMYNWZICAM-UHFFFAOYSA-N 1 0 314.360 2.757 20 10 DFCDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000363519991 293247402 /nfs/dbraw/zinc/24/74/02/293247402.db2.gz NKVPHEQXYMLNRD-KRWDZBQOSA-N 1 0 314.433 2.882 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c1O ZINC000527752638 300685185 /nfs/dbraw/zinc/68/51/85/300685185.db2.gz PTULPTODQFESPD-INIZCTEOSA-N 1 0 304.434 2.897 20 10 DFCDRO C[NH+](C)CCN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1 ZINC000255712533 331792268 /nfs/dbraw/zinc/79/22/68/331792268.db2.gz HEFXFBZBIIUXBB-HJWRWDBZSA-N 1 0 313.376 2.829 20 10 DFCDRO CCNC(=O)C[N@H+](CC)Cc1ccc(N2CCCCC2)cc1 ZINC000119291609 332368879 /nfs/dbraw/zinc/36/88/79/332368879.db2.gz FJUFBVMOTCVZAT-UHFFFAOYSA-N 1 0 303.450 2.635 20 10 DFCDRO OCCOCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293574520 335109285 /nfs/dbraw/zinc/10/92/85/335109285.db2.gz DRHZYEVYZYNQDA-GOSISDBHSA-N 1 0 315.413 2.665 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1 ZINC000293635334 335113630 /nfs/dbraw/zinc/11/36/30/335113630.db2.gz LTMNMXYEZAFJLX-QGZVFWFLSA-N 1 0 300.402 2.945 20 10 DFCDRO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000178199474 333004610 /nfs/dbraw/zinc/00/46/10/333004610.db2.gz CAIQDYXUNRDRLL-HNNXBMFYSA-N 1 0 303.450 2.806 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](C)CC[C@@H](C)O)cc2)CC1 ZINC000295123682 335132352 /nfs/dbraw/zinc/13/23/52/335132352.db2.gz XDNPPLSBXSYPGP-OAHLLOKOSA-N 1 0 306.450 2.505 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000184685981 333364475 /nfs/dbraw/zinc/36/44/75/333364475.db2.gz AITUBBPSRBJQLV-CQSZACIVSA-N 1 0 310.825 2.724 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000296250952 335142859 /nfs/dbraw/zinc/14/28/59/335142859.db2.gz BIOULTUMAIPVAX-WMZOPIPTSA-N 1 0 319.493 2.640 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000296373449 335143823 /nfs/dbraw/zinc/14/38/23/335143823.db2.gz JGVUYYGKZYVCQH-YJBOKZPZSA-N 1 0 315.461 2.996 20 10 DFCDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296438995 335144576 /nfs/dbraw/zinc/14/45/76/335144576.db2.gz MEFMXZFFGXXNCO-GJZGRUSLSA-N 1 0 324.440 2.722 20 10 DFCDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000297181403 335151304 /nfs/dbraw/zinc/15/13/04/335151304.db2.gz DYASXMYXTHYOIP-GJZGRUSLSA-N 1 0 324.440 2.722 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cc(F)ccc1O ZINC000297340840 335153248 /nfs/dbraw/zinc/15/32/48/335153248.db2.gz OMRDCCODMOKOJK-ABAIWWIYSA-N 1 0 307.340 2.925 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)C(F)(F)F)C2CC2)cc1 ZINC000273899734 334052910 /nfs/dbraw/zinc/05/29/10/334052910.db2.gz FDMZBCASQWVEOF-CQSZACIVSA-N 1 0 302.340 2.640 20 10 DFCDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000275512821 334071702 /nfs/dbraw/zinc/07/17/02/334071702.db2.gz KJVOMOKJRFUQLZ-RDJZCZTQSA-N 1 0 315.417 2.840 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2CSC)ccc1[N+](=O)[O-] ZINC000278178541 334093215 /nfs/dbraw/zinc/09/32/15/334093215.db2.gz GOZSCFDYINZNBV-NSHDSACASA-N 1 0 312.391 2.636 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)c1cc(F)ccc1O ZINC000278886460 334103089 /nfs/dbraw/zinc/10/30/89/334103089.db2.gz DDDMOJSLTBCVJF-BWACUDIHSA-N 1 0 319.380 2.693 20 10 DFCDRO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)C(=O)NCCF ZINC000282405848 334134562 /nfs/dbraw/zinc/13/45/62/334134562.db2.gz CACQGCZAKHJXLC-VXGBXAGGSA-N 1 0 304.365 2.670 20 10 DFCDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)cc1OC ZINC000295081686 334217860 /nfs/dbraw/zinc/21/78/60/334217860.db2.gz SCXAOUAULQQJOM-MRXNPFEDSA-N 1 0 309.406 2.656 20 10 DFCDRO COCCOc1ncccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296092139 334229949 /nfs/dbraw/zinc/22/99/49/334229949.db2.gz TVDJFRJYLFNRHZ-HNNXBMFYSA-N 1 0 314.385 2.590 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]CCc1cn3c(n1)SCC3)CC2 ZINC000296389692 334233217 /nfs/dbraw/zinc/23/32/17/334233217.db2.gz JTCYEEOVQMGUAC-CYBMUJFWSA-N 1 0 301.415 2.514 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000352125771 336195783 /nfs/dbraw/zinc/19/57/83/336195783.db2.gz LPYDYJWBAZZYNU-KRWDZBQOSA-N 1 0 311.429 2.730 20 10 DFCDRO CC[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccccc1O ZINC000192710747 336259120 /nfs/dbraw/zinc/25/91/20/336259120.db2.gz OTZMOHXYOVIEKV-INIZCTEOSA-N 1 0 312.417 2.892 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000367282086 336598179 /nfs/dbraw/zinc/59/81/79/336598179.db2.gz GNIANHXQRTXZJT-XJKSGUPXSA-N 1 0 305.761 2.630 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H]2CCc3nccn3C2)ccc1OC ZINC000368847358 336853869 /nfs/dbraw/zinc/85/38/69/336853869.db2.gz YBQNLRYZOLTQDB-MRXNPFEDSA-N 1 0 315.417 2.533 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2N2CCOCC2)c1 ZINC000371868796 336915200 /nfs/dbraw/zinc/91/52/00/336915200.db2.gz CCNGNPCDWIPUKO-JZXOWHBKSA-N 1 0 318.461 2.852 20 10 DFCDRO CCc1nnc2n1C[C@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)CC2 ZINC000373848187 336974416 /nfs/dbraw/zinc/97/44/16/336974416.db2.gz BELKQKDXMVUIKI-HIFRSBDPSA-N 1 0 314.433 2.910 20 10 DFCDRO [O-]c1c(Cl)cccc1CN1CC(O)(c2ccc(F)cc2)C1 ZINC000375075508 337002726 /nfs/dbraw/zinc/00/27/26/337002726.db2.gz SWRVBGDFSNIROX-UHFFFAOYSA-N 1 0 307.752 2.888 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375322238 337008012 /nfs/dbraw/zinc/00/80/12/337008012.db2.gz SBPJFJAHIFEBCR-OALUTQOASA-N 1 0 316.445 2.667 20 10 DFCDRO CN(C)c1ccc(C2=CC[N@H+](C[C@H](O)CC(F)(F)F)C2)cc1 ZINC000375493635 337012109 /nfs/dbraw/zinc/01/21/09/337012109.db2.gz IWHIBRPIFAVGPZ-OAHLLOKOSA-N 1 0 314.351 2.765 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(C)cc1O ZINC000375661088 337015943 /nfs/dbraw/zinc/01/59/43/337015943.db2.gz BDEDXLIRUZWDOK-JZXOWHBKSA-N 1 0 318.461 2.995 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000376005271 337025088 /nfs/dbraw/zinc/02/50/88/337025088.db2.gz VQFUQZGZHKRBFG-ZBFHGGJFSA-N 1 0 302.418 2.581 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN(CCCOC)CC1 ZINC000377614022 337056123 /nfs/dbraw/zinc/05/61/23/337056123.db2.gz GSSSYQZLHHZSPK-QGZVFWFLSA-N 1 0 306.450 2.888 20 10 DFCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000377679470 337058220 /nfs/dbraw/zinc/05/82/20/337058220.db2.gz LXMHNYJEYCWGPG-AWEZNQCLSA-N 1 0 317.307 2.628 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000377704623 337059146 /nfs/dbraw/zinc/05/91/46/337059146.db2.gz RSMBWYPLLYZATI-JKSUJKDBSA-N 1 0 314.433 2.566 20 10 DFCDRO CN(C)c1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)cc1F ZINC000377774647 337060692 /nfs/dbraw/zinc/06/06/92/337060692.db2.gz STRHJZVPMIDCLS-UHFFFAOYSA-N 1 0 314.404 2.511 20 10 DFCDRO CCOc1cccc(C[N@H+](C)C[C@@H]2CCn3ccnc3C2)c1O ZINC000377857734 337062790 /nfs/dbraw/zinc/06/27/90/337062790.db2.gz UIEUPMQXODDEDP-CQSZACIVSA-N 1 0 315.417 2.682 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c1O ZINC000378127994 337066854 /nfs/dbraw/zinc/06/68/54/337066854.db2.gz HHVOAQVWQNSIDN-MRXNPFEDSA-N 1 0 313.825 2.895 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@@H]1N1CCOCC1 ZINC000378340891 337070316 /nfs/dbraw/zinc/07/03/16/337070316.db2.gz IXQPJAHJJQVUGG-WMZOPIPTSA-N 1 0 318.461 2.552 20 10 DFCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000378344744 337070371 /nfs/dbraw/zinc/07/03/71/337070371.db2.gz CFLRVYONFMPWQL-UHFFFAOYSA-N 1 0 304.434 2.524 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cnn(C)c2C)c1 ZINC000378441794 337072717 /nfs/dbraw/zinc/07/27/17/337072717.db2.gz IBDCYTIKMJBBRP-INIZCTEOSA-N 1 0 301.390 2.780 20 10 DFCDRO Cc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000378442460 337072795 /nfs/dbraw/zinc/07/27/95/337072795.db2.gz NVOZVXNFAWRUHH-IRXDYDNUSA-N 1 0 315.417 2.522 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(CN3CCCC3=O)CC2)c1O ZINC000378444697 337072989 /nfs/dbraw/zinc/07/29/89/337072989.db2.gz QWLBCSYUWIWYCN-UHFFFAOYSA-N 1 0 302.418 2.535 20 10 DFCDRO O=C(c1cccs1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000179574861 337170211 /nfs/dbraw/zinc/17/02/11/337170211.db2.gz PIVCUOPNTFLSNQ-UHFFFAOYSA-N 1 0 316.426 2.802 20 10 DFCDRO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000179565837 337170240 /nfs/dbraw/zinc/17/02/40/337170240.db2.gz LAFWYLLOLGVYRS-MRXNPFEDSA-N 1 0 311.429 2.902 20 10 DFCDRO O=C(CC1CC[NH+](Cc2cc(F)ccc2O)CC1)N1CCCC1 ZINC000179944525 337172632 /nfs/dbraw/zinc/17/26/32/337172632.db2.gz KNGDMSBDFSTHSK-UHFFFAOYSA-N 1 0 320.408 2.756 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000180621975 337176783 /nfs/dbraw/zinc/17/67/83/337176783.db2.gz MHKCCCAIRQIBRZ-ZFWWWQNUSA-N 1 0 313.449 2.572 20 10 DFCDRO COc1cc(Cl)cc(CN2CCC[N@@H+](C3CC3)CC2)c1O ZINC000184685094 337199941 /nfs/dbraw/zinc/19/99/41/337199941.db2.gz JCHNMYXMLSQQTK-UHFFFAOYSA-N 1 0 310.825 2.724 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)CC2 ZINC000185995057 337252420 /nfs/dbraw/zinc/25/24/20/337252420.db2.gz JTMCYMXRGZEFJR-PWSUYJOCSA-N 1 0 320.824 2.865 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)CC2 ZINC000185995018 337252448 /nfs/dbraw/zinc/25/24/48/337252448.db2.gz JTMCYMXRGZEFJR-JQWIXIFHSA-N 1 0 320.824 2.865 20 10 DFCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000230684130 337273103 /nfs/dbraw/zinc/27/31/03/337273103.db2.gz SCAGLRIDNLRFSE-UWVGGRQHSA-N 1 0 300.196 2.669 20 10 DFCDRO CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Cl)ccc2O)C1 ZINC000190146118 337285210 /nfs/dbraw/zinc/28/52/10/337285210.db2.gz ONWNNEPQVKQBPW-STQMWFEESA-N 1 0 323.780 2.699 20 10 DFCDRO Cn1cnnc1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000091795098 337896280 /nfs/dbraw/zinc/89/62/80/337896280.db2.gz CQZNYUVYWPANGL-UHFFFAOYSA-N 1 0 306.797 2.554 20 10 DFCDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000449362334 338617823 /nfs/dbraw/zinc/61/78/23/338617823.db2.gz LCLGQBKBFAKSQM-AWEZNQCLSA-N 1 0 319.449 2.502 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@H](c2ccccc2)N(C)C)c1 ZINC000237204396 340668942 /nfs/dbraw/zinc/66/89/42/340668942.db2.gz XUYBBQOGGMPTOR-QGZVFWFLSA-N 1 0 300.402 2.793 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)O)c1O ZINC000267393833 518277682 /nfs/dbraw/zinc/27/76/82/518277682.db2.gz PKBVSDYEJJIZDM-IAQYHMDHSA-N 1 0 311.809 2.984 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCc2noc(C)n2)c1O ZINC000267431508 518278255 /nfs/dbraw/zinc/27/82/55/518278255.db2.gz YSIDSWAJLFKRCV-UHFFFAOYSA-N 1 0 323.780 2.614 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1O ZINC000267430787 518285335 /nfs/dbraw/zinc/28/53/35/518285335.db2.gz DADNBNXCBMUNIJ-UHFFFAOYSA-N 1 0 317.364 2.837 20 10 DFCDRO CC(C)[N@H+](CCc1cnn(C)c1)Cc1ccc(N(C)C)cc1 ZINC000265903523 519650785 /nfs/dbraw/zinc/65/07/85/519650785.db2.gz IMRJMEQDURWIEO-UHFFFAOYSA-N 1 0 300.450 2.939 20 10 DFCDRO CC[N@H+](CCCCO)Cc1cc(Br)ccc1O ZINC000266561188 521003990 /nfs/dbraw/zinc/00/39/90/521003990.db2.gz NAPZXYKYSFYARU-UHFFFAOYSA-N 1 0 302.212 2.749 20 10 DFCDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000236879823 521046329 /nfs/dbraw/zinc/04/63/29/521046329.db2.gz FSODDDHSRYTNPW-HNNXBMFYSA-N 1 0 314.433 2.736 20 10 DFCDRO CCOc1cccc(C[NH2+][C@H](CC)[C@@H](O)C(F)(F)F)c1O ZINC000270863279 521376963 /nfs/dbraw/zinc/37/69/63/521376963.db2.gz DQXFROYIRMIRCF-ZWNOBZJWSA-N 1 0 307.312 2.582 20 10 DFCDRO CCCN(CCC)c1ccc(C[NH2+]CC2(O)CCOCC2)cc1 ZINC000236999473 521650877 /nfs/dbraw/zinc/65/08/77/521650877.db2.gz FZDZWTZKDFCVKQ-UHFFFAOYSA-N 1 0 320.477 2.944 20 10 DFCDRO C[NH2+]CCN(C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000237344961 522004500 /nfs/dbraw/zinc/00/45/00/522004500.db2.gz RTIMVQSMAPKQHV-UHFFFAOYSA-N 1 0 303.381 2.525 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000363842197 522178025 /nfs/dbraw/zinc/17/80/25/522178025.db2.gz BRSRTUWSJSGICI-QGZVFWFLSA-N 1 0 318.461 2.770 20 10 DFCDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178673754 522205335 /nfs/dbraw/zinc/20/53/35/522205335.db2.gz SLWLUFBFJKPQDX-KBPBESRZSA-N 1 0 310.413 2.595 20 10 DFCDRO CCc1nc([C@H]2CCC[N@H+](Cc3cc(OC)ccc3O)C2)no1 ZINC000367748577 522461969 /nfs/dbraw/zinc/46/19/69/522461969.db2.gz JFONGYSUSWPDAJ-LBPRGKRZSA-N 1 0 317.389 2.726 20 10 DFCDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(C)c1O ZINC000190431796 523562106 /nfs/dbraw/zinc/56/21/06/523562106.db2.gz BNEMRHXUNAEDEN-RDJZCZTQSA-N 1 0 315.417 2.927 20 10 DFCDRO CN(c1ccc(CNC(=O)[C@H]2CC[NH2+]C2)cc1)C1CCCCC1 ZINC000237055435 523637631 /nfs/dbraw/zinc/63/76/31/523637631.db2.gz OVUPKUHLGNOOAB-INIZCTEOSA-N 1 0 315.461 2.681 20 10 DFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@H]1C ZINC000188101480 523962485 /nfs/dbraw/zinc/96/24/85/523962485.db2.gz DAKRWXYYWJLGJM-RISCZKNCSA-N 1 0 311.809 2.985 20 10 DFCDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000237742588 524099258 /nfs/dbraw/zinc/09/92/58/524099258.db2.gz MZEQKSAOSNDSAD-INIZCTEOSA-N 1 0 311.429 2.824 20 10 DFCDRO Cc1cc(C(=O)N[C@H](C[NH3+])C2CC2)c(C)n1-c1cccc(C)c1 ZINC000237822327 524147222 /nfs/dbraw/zinc/14/72/22/524147222.db2.gz VSDJJNFWHUPQJA-GOSISDBHSA-N 1 0 311.429 2.870 20 10 DFCDRO Cc1cc(C(=O)N[C@H](C[NH3+])C2CC2)c(C)n1-c1ccccc1C ZINC000237730125 524148165 /nfs/dbraw/zinc/14/81/65/524148165.db2.gz PIBWVRUKUJQGGB-QGZVFWFLSA-N 1 0 311.429 2.870 20 10 DFCDRO Cc1cccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1O ZINC000179880001 524398228 /nfs/dbraw/zinc/39/82/28/524398228.db2.gz HUCWOXIPXDIIHY-UHFFFAOYSA-N 1 0 316.445 2.925 20 10 DFCDRO COc1ccc(N2CC[NH+](CCc3csc(C)n3)CC2)cc1 ZINC000163445926 524427938 /nfs/dbraw/zinc/42/79/38/524427938.db2.gz IZXDQSOPICLGFA-UHFFFAOYSA-N 1 0 317.458 2.825 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000179986980 524747573 /nfs/dbraw/zinc/74/75/73/524747573.db2.gz FQNDTESRJHYGHL-AWEZNQCLSA-N 1 0 313.401 2.730 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000182635775 524756447 /nfs/dbraw/zinc/75/64/47/524756447.db2.gz WAYNSAWMAOASHR-CJNGLKHVSA-N 1 0 309.431 2.545 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn3ccsc3n2)c1 ZINC000182464849 524765270 /nfs/dbraw/zinc/76/52/70/524765270.db2.gz QSIAGCTVWBNMKS-SNVBAGLBSA-N 1 0 303.387 2.961 20 10 DFCDRO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000183206086 525414430 /nfs/dbraw/zinc/41/44/30/525414430.db2.gz UNOMUSXDCLNRLV-CYBMUJFWSA-N 1 0 321.440 2.978 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(N2CCCCC2)cc1 ZINC000180491648 525485065 /nfs/dbraw/zinc/48/50/65/525485065.db2.gz LWXUJLQTOJDOTQ-VQIMIIECSA-N 1 0 317.477 2.658 20 10 DFCDRO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000268897261 525492612 /nfs/dbraw/zinc/49/26/12/525492612.db2.gz PHAYEOFRUVCDIF-PBHICJAKSA-N 1 0 306.450 2.581 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000179963078 525950391 /nfs/dbraw/zinc/95/03/91/525950391.db2.gz ALWRNFJZCMPIFV-CYBMUJFWSA-N 1 0 307.390 2.564 20 10 DFCDRO Cc1cc(/C=C/C(=O)N2CC[C@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC000237643333 526082691 /nfs/dbraw/zinc/08/26/91/526082691.db2.gz XCYHZIVUYSTWCR-IJDCCNJMSA-N 1 0 309.413 2.667 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(C)n1-c1ccccc1 ZINC000365326075 526260623 /nfs/dbraw/zinc/26/06/23/526260623.db2.gz LMMLDPOGIVFUBK-APWZRJJASA-N 1 0 323.440 2.918 20 10 DFCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCOc3c(F)cccc31)OCO2 ZINC000191119372 526337011 /nfs/dbraw/zinc/33/70/11/526337011.db2.gz XSXNGVCGILIZRV-ZDUSSCGKSA-N 1 0 317.316 2.873 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)[C@@]12CCCO2 ZINC000273662454 535409015 /nfs/dbraw/zinc/40/90/15/535409015.db2.gz YEFDCZCVWPETBP-OAGGEKHMSA-N 1 0 311.809 2.862 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@]12CCCO2 ZINC000272690523 535508565 /nfs/dbraw/zinc/50/85/65/535508565.db2.gz PIWXJNNKTFMECV-RCCFBDPRSA-N 1 0 304.434 2.569 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000272390431 536855970 /nfs/dbraw/zinc/85/59/70/536855970.db2.gz HBFAPOBDDHYLIT-HIFRSBDPSA-N 1 0 323.433 2.638 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000272390430 536856666 /nfs/dbraw/zinc/85/66/66/536856666.db2.gz HBFAPOBDDHYLIT-DZGCQCFKSA-N 1 0 323.433 2.638 20 10 DFCDRO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1ccccc1O ZINC000736194614 599318784 /nfs/dbraw/zinc/31/87/84/599318784.db2.gz BXHJUQBQDOKPRZ-LBPRGKRZSA-N 1 0 309.373 2.765 20 10 DFCDRO COCCOCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000079396274 185168970 /nfs/dbraw/zinc/16/89/70/185168970.db2.gz UTTARNGFFAVPDT-UHFFFAOYSA-N 1 0 306.450 2.772 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000092482972 185321293 /nfs/dbraw/zinc/32/12/93/185321293.db2.gz KYKDJZHMEUMSMW-UHFFFAOYSA-N 1 0 303.431 2.869 20 10 DFCDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092705924 185334779 /nfs/dbraw/zinc/33/47/79/185334779.db2.gz IBOOKTWHAUWQLW-KRWDZBQOSA-N 1 0 317.477 2.737 20 10 DFCDRO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092708608 185335354 /nfs/dbraw/zinc/33/53/54/185335354.db2.gz FQTILMRDONFXNK-OAHLLOKOSA-N 1 0 320.433 2.672 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000066701886 398393205 /nfs/dbraw/zinc/39/32/05/398393205.db2.gz YZWULBVXLPLOTQ-CQSZACIVSA-N 1 0 307.438 2.654 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1O ZINC000092814129 185343640 /nfs/dbraw/zinc/34/36/40/185343640.db2.gz UYPRXEDGWNURRJ-ZDUSSCGKSA-N 1 0 317.389 2.547 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000132622368 334946284 /nfs/dbraw/zinc/94/62/84/334946284.db2.gz CJQVGTOXPAEWBV-MRXNPFEDSA-N 1 0 311.429 2.884 20 10 DFCDRO C[C@H]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccccc21 ZINC000592495588 398433413 /nfs/dbraw/zinc/43/34/13/398433413.db2.gz MRJMWSXAHHCFMZ-KBPBESRZSA-N 1 0 324.428 2.873 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cn1 ZINC000092740482 398597451 /nfs/dbraw/zinc/59/74/51/398597451.db2.gz DVQRACKXPBJDEO-AWEZNQCLSA-N 1 0 315.392 2.908 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000093362545 398634702 /nfs/dbraw/zinc/63/47/02/398634702.db2.gz XKIHFDXHGJKWTR-GOSISDBHSA-N 1 0 315.461 2.730 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1O ZINC000093455404 398638029 /nfs/dbraw/zinc/63/80/29/398638029.db2.gz DOUFRSCJMWSDIC-QGZVFWFLSA-N 1 0 313.397 2.883 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000093865925 398647644 /nfs/dbraw/zinc/64/76/44/398647644.db2.gz PBLZRCYISZMWGZ-MRXNPFEDSA-N 1 0 314.385 2.839 20 10 DFCDRO CC[C@H]([NH2+]CC[C@H](C)O)c1cc(Br)ccc1O ZINC000085981942 192542187 /nfs/dbraw/zinc/54/21/87/192542187.db2.gz NCWOTFGSODOGFL-CABZTGNLSA-N 1 0 302.212 2.966 20 10 DFCDRO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000052686760 398849159 /nfs/dbraw/zinc/84/91/59/398849159.db2.gz OBNNNTHVDKQCCY-UHFFFAOYSA-N 1 0 315.461 2.731 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000089726464 192850838 /nfs/dbraw/zinc/85/08/38/192850838.db2.gz LVRZSMJFLMZWBI-VERVWZFWSA-N 1 0 319.426 2.989 20 10 DFCDRO Cc1noc(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000091833513 193113826 /nfs/dbraw/zinc/11/38/26/193113826.db2.gz GKYLPHZLKHFMIT-UHFFFAOYSA-N 1 0 300.406 2.824 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000091832632 193114199 /nfs/dbraw/zinc/11/41/99/193114199.db2.gz CTPQRRNAWHYTIS-CQSZACIVSA-N 1 0 317.389 2.862 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000091960742 193132418 /nfs/dbraw/zinc/13/24/18/193132418.db2.gz RAKZWRMIHATPCG-ZFWWWQNUSA-N 1 0 301.390 2.680 20 10 DFCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(C)ccc2O)cc1 ZINC000093415721 193246472 /nfs/dbraw/zinc/24/64/72/193246472.db2.gz MBXYWBOFJFCNSN-KRWDZBQOSA-N 1 0 301.386 2.875 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1cc(Br)ccc1O ZINC000042544459 183282751 /nfs/dbraw/zinc/28/27/51/183282751.db2.gz INSANUNAYGSGPU-WCQYABFASA-N 1 0 313.239 2.900 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1O ZINC000060358329 184146663 /nfs/dbraw/zinc/14/66/63/184146663.db2.gz UIOOXBQBRZJJPS-HNNXBMFYSA-N 1 0 305.349 2.753 20 10 DFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000273204299 130098011 /nfs/dbraw/zinc/09/80/11/130098011.db2.gz JGPFYDAELOENJX-CQSZACIVSA-N 1 0 305.466 2.878 20 10 DFCDRO COCCOCCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273391084 130116254 /nfs/dbraw/zinc/11/62/54/130116254.db2.gz KRHASCLJAKSEOK-CQSZACIVSA-N 1 0 307.434 2.975 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccco2)c(O)c1C ZINC000273419103 130118719 /nfs/dbraw/zinc/11/87/19/130118719.db2.gz RUEBKGVAYAFQEQ-ZDUSSCGKSA-N 1 0 302.374 2.683 20 10 DFCDRO C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCCC1 ZINC000273420178 130119249 /nfs/dbraw/zinc/11/92/49/130119249.db2.gz RYYWDOBGRACTEM-STQMWFEESA-N 1 0 307.394 2.683 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c(O)c1C ZINC000273452860 130124336 /nfs/dbraw/zinc/12/43/36/130124336.db2.gz GKQHTEDQUJZTAG-GJZGRUSLSA-N 1 0 321.417 2.582 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c(O)c1C ZINC000273568777 130139124 /nfs/dbraw/zinc/13/91/24/130139124.db2.gz KFVOMTBDDHCKAX-OAHLLOKOSA-N 1 0 306.450 2.770 20 10 DFCDRO C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cc(F)ccc1O ZINC000273598167 130141865 /nfs/dbraw/zinc/14/18/65/130141865.db2.gz RFGOKZWDXVAJFN-CQSZACIVSA-N 1 0 322.424 2.827 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c(O)c1C ZINC000273604708 130142933 /nfs/dbraw/zinc/14/29/33/130142933.db2.gz SWCXHZDQBSYWJJ-CJNGLKHVSA-N 1 0 306.450 2.628 20 10 DFCDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cc(Br)ccc1O ZINC000273621299 130144981 /nfs/dbraw/zinc/14/49/81/130144981.db2.gz ZBEGISQDVLLDTK-VHSXEESVSA-N 1 0 301.228 2.755 20 10 DFCDRO CCCOc1ccc(C[N@H+](C)CCc2cnccn2)c(O)c1 ZINC000273694630 130154733 /nfs/dbraw/zinc/15/47/33/130154733.db2.gz BXLQWNXOYPRSJH-UHFFFAOYSA-N 1 0 301.390 2.646 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)[C@]12CCCO2 ZINC000274215006 130216963 /nfs/dbraw/zinc/21/69/63/130216963.db2.gz NJICUPTZWMVGCF-QRVDHSFSSA-N 1 0 321.417 2.778 20 10 DFCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000274596576 130249538 /nfs/dbraw/zinc/24/95/38/130249538.db2.gz GMAFRJDUEMBCBC-ZIAGYGMSSA-N 1 0 306.406 2.890 20 10 DFCDRO Cn1cncc1[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000275713250 130368306 /nfs/dbraw/zinc/36/83/06/130368306.db2.gz YMYOUFHOPLNEOD-MEDUHNTESA-N 1 0 321.808 2.789 20 10 DFCDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000284174647 131055437 /nfs/dbraw/zinc/05/54/37/131055437.db2.gz FOIFYNUYVUKAJU-WBIUFABUSA-N 1 0 315.841 2.854 20 10 DFCDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000284837106 131115178 /nfs/dbraw/zinc/11/51/78/131115178.db2.gz QRXCUSYIKZHTDC-KRWDZBQOSA-N 1 0 303.450 2.633 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c(O)c1 ZINC000285081870 131136701 /nfs/dbraw/zinc/13/67/01/131136701.db2.gz JOXVOFYTMNJXND-LSDHHAIUSA-N 1 0 321.417 2.582 20 10 DFCDRO Cc1cc(C(=O)NCC2CC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC000297113474 132000692 /nfs/dbraw/zinc/00/06/92/132000692.db2.gz FYLWFYGMJXAHOE-UHFFFAOYSA-N 1 0 311.429 2.824 20 10 DFCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000299563810 132111135 /nfs/dbraw/zinc/11/11/35/132111135.db2.gz GXKKTILDWCZSSX-UHFFFAOYSA-N 1 0 323.440 2.648 20 10 DFCDRO O=C(NCc1ccccc1O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000299570203 132111695 /nfs/dbraw/zinc/11/16/95/132111695.db2.gz PJKARAZCIBPMQO-KRWDZBQOSA-N 1 0 310.397 2.673 20 10 DFCDRO CCCOc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(O)c1 ZINC000156009975 425932561 /nfs/dbraw/zinc/93/25/61/425932561.db2.gz KISLASHYKFFHMI-MRXNPFEDSA-N 1 0 304.434 2.851 20 10 DFCDRO O=C(CCC[NH2+]Cc1ccccc1O)N1Cc2ccccc2C1 ZINC000111405663 426048755 /nfs/dbraw/zinc/04/87/55/426048755.db2.gz QEGYVLFZOVVXLE-UHFFFAOYSA-N 1 0 310.397 2.804 20 10 DFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000126145818 426006965 /nfs/dbraw/zinc/00/69/65/426006965.db2.gz QMWWACCMBRIAMH-UHFFFAOYSA-N 1 0 304.434 2.872 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1F ZINC000113318432 426111531 /nfs/dbraw/zinc/11/15/31/426111531.db2.gz UPUCDJLGJXXAEY-QGZVFWFLSA-N 1 0 306.356 2.854 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000113343793 426112538 /nfs/dbraw/zinc/11/25/38/426112538.db2.gz RAMVZQWKMYSRKY-HNNXBMFYSA-N 1 0 319.449 2.852 20 10 DFCDRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(N(C)C)cc1 ZINC000168283147 426134537 /nfs/dbraw/zinc/13/45/37/426134537.db2.gz KOUWJMWVMUMSBY-OAHLLOKOSA-N 1 0 305.466 2.514 20 10 DFCDRO Nc1ccc(CC(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1 ZINC000168526255 426135268 /nfs/dbraw/zinc/13/52/68/426135268.db2.gz XMDSTXDYEHACSK-KRWDZBQOSA-N 1 0 315.461 2.725 20 10 DFCDRO CN(c1ccc(CNC(=O)C[NH+](C)C)cc1)C1CCCCC1 ZINC000171400103 426188187 /nfs/dbraw/zinc/18/81/87/426188187.db2.gz QYWZGJWEMWKVME-UHFFFAOYSA-N 1 0 303.450 2.633 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[NH+]2CCCC2)c1O ZINC000079414869 426192319 /nfs/dbraw/zinc/19/23/19/426192319.db2.gz NCVIFABVYBUQLE-INIZCTEOSA-N 1 0 320.408 2.794 20 10 DFCDRO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)C(=O)NCC1CCCC1 ZINC000136030297 426233534 /nfs/dbraw/zinc/23/35/34/426233534.db2.gz VLLRAQPKISVZJA-UHFFFAOYSA-N 1 0 316.445 2.796 20 10 DFCDRO COCCCCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866335 426246812 /nfs/dbraw/zinc/24/68/12/426246812.db2.gz ZLWJJUDJFHNGBX-UHFFFAOYSA-N 1 0 310.413 2.773 20 10 DFCDRO CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccc(N(C)C)cc1 ZINC000089636622 426300037 /nfs/dbraw/zinc/30/00/37/426300037.db2.gz IVROLALFKPNLAJ-XJKSGUPXSA-N 1 0 312.479 2.617 20 10 DFCDRO CN(Cc1cncs1)Cc1ccc(N2CCOCC2)cc1 ZINC000121297366 426332650 /nfs/dbraw/zinc/33/26/50/426332650.db2.gz GRDMYWCVPKSRCF-UHFFFAOYSA-N 1 0 303.431 2.612 20 10 DFCDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000122929458 426403787 /nfs/dbraw/zinc/40/37/87/426403787.db2.gz AGRHSCPALVIEAX-IIDMSEBBSA-N 1 0 301.478 2.887 20 10 DFCDRO CCN(CC)c1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000092648216 426350702 /nfs/dbraw/zinc/35/07/02/426350702.db2.gz BPLYOFQWFFJNIQ-UHFFFAOYSA-N 1 0 313.449 2.961 20 10 DFCDRO C[C@@](CO)([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000152772943 426353500 /nfs/dbraw/zinc/35/35/00/426353500.db2.gz NTLZAVFGCIFUPV-KRWDZBQOSA-N 1 0 307.390 2.542 20 10 DFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000152814444 426355259 /nfs/dbraw/zinc/35/52/59/426355259.db2.gz ZKZGLTCCICFPTJ-INIZCTEOSA-N 1 0 323.396 2.643 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000153231377 426377544 /nfs/dbraw/zinc/37/75/44/426377544.db2.gz MBQVXMDLPTWTIB-APWZRJJASA-N 1 0 319.493 2.762 20 10 DFCDRO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000176985307 426430489 /nfs/dbraw/zinc/43/04/89/426430489.db2.gz YDUZRTOKJQKQFK-GFCCVEGCSA-N 1 0 308.397 2.829 20 10 DFCDRO C[S@](=O)C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000154724694 426453360 /nfs/dbraw/zinc/45/33/60/426453360.db2.gz VRYKYYWXPDYIPQ-VGOFRKELSA-N 1 0 315.438 2.831 20 10 DFCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000186532310 426544513 /nfs/dbraw/zinc/54/45/13/426544513.db2.gz FGFPEMAOCHNWPF-OOPCZODUSA-N 1 0 314.223 2.880 20 10 DFCDRO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186541079 426546280 /nfs/dbraw/zinc/54/62/80/426546280.db2.gz ZCKJIFACHFKIGM-GSRNSYJJSA-N 1 0 320.252 2.572 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C2(CO)CCC2)c(C(F)(F)F)c1 ZINC000280332936 426552175 /nfs/dbraw/zinc/55/21/75/426552175.db2.gz QDZXAFBFFAGLOC-UHFFFAOYSA-N 1 0 302.340 2.776 20 10 DFCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186223883 426494820 /nfs/dbraw/zinc/49/48/20/426494820.db2.gz DQCVVQFAJILMLF-GFCCVEGCSA-N 1 0 304.434 2.694 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccc(C)cc1O ZINC000280075772 426502120 /nfs/dbraw/zinc/50/21/20/426502120.db2.gz LKJGTTLTCUJDAU-NVXWUHKLSA-N 1 0 306.450 2.710 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000280434129 426575937 /nfs/dbraw/zinc/57/59/37/426575937.db2.gz JVGJFYGRTNNLKJ-AWEZNQCLSA-N 1 0 321.417 2.561 20 10 DFCDRO CC(C)CC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000280450266 426579944 /nfs/dbraw/zinc/57/99/44/426579944.db2.gz KVGJZGSATHOXQP-LJQANCHMSA-N 1 0 320.477 2.752 20 10 DFCDRO COCCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000178241888 426592049 /nfs/dbraw/zinc/59/20/49/426592049.db2.gz YGCOZYYAEXGOFM-AWEZNQCLSA-N 1 0 310.413 2.567 20 10 DFCDRO Oc1ccccc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000280588399 426609192 /nfs/dbraw/zinc/60/91/92/426609192.db2.gz NALDOFMAIZUQFE-UHFFFAOYSA-N 1 0 324.222 2.921 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1O ZINC000280356657 426558743 /nfs/dbraw/zinc/55/87/43/426558743.db2.gz CHHPJEKVUFABAH-LBPRGKRZSA-N 1 0 314.223 2.666 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCN2CCOC2=O)cc1 ZINC000178586263 426660569 /nfs/dbraw/zinc/66/05/69/426660569.db2.gz RUIRKPVFMQDMDG-AWEZNQCLSA-N 1 0 305.422 2.636 20 10 DFCDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273437615 426664230 /nfs/dbraw/zinc/66/42/30/426664230.db2.gz XOGSHISVBKUUKB-HTQZYQBOSA-N 1 0 305.205 2.874 20 10 DFCDRO CCN(CC)c1ccc(CN2CCO[C@]3(CCOC3)C2)cc1F ZINC000187533839 426668566 /nfs/dbraw/zinc/66/85/66/426668566.db2.gz UAVGMQDKGPYEFG-GOSISDBHSA-N 1 0 322.424 2.663 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@H](CCO)c2ccco2)c1O ZINC000187528327 426670076 /nfs/dbraw/zinc/67/00/76/426670076.db2.gz RVZBAEXZGQMKBK-GFCCVEGCSA-N 1 0 311.765 2.861 20 10 DFCDRO Cc1ccc(O)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000289717889 426672898 /nfs/dbraw/zinc/67/28/98/426672898.db2.gz HANKIGFVHNSFCP-UHFFFAOYSA-N 1 0 301.346 2.574 20 10 DFCDRO CO[C@H](C)C[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000289866845 426674782 /nfs/dbraw/zinc/67/47/82/426674782.db2.gz VPMVRRTXPUQFQH-SNVBAGLBSA-N 1 0 302.212 2.930 20 10 DFCDRO OC[C@]1(F)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000289966929 426677958 /nfs/dbraw/zinc/67/79/58/426677958.db2.gz YWEUQVRASCLTQQ-SFHVURJKSA-N 1 0 306.425 2.973 20 10 DFCDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(Br)cc1O ZINC000289982834 426679106 /nfs/dbraw/zinc/67/91/06/426679106.db2.gz XZXWGIRJELBUED-SECBINFHSA-N 1 0 310.195 2.771 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1O ZINC000290158955 426704372 /nfs/dbraw/zinc/70/43/72/426704372.db2.gz LRCDTYLUZFROEZ-PBHICJAKSA-N 1 0 319.788 2.938 20 10 DFCDRO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000281363806 426716067 /nfs/dbraw/zinc/71/60/67/426716067.db2.gz VBAOMYAQHSTZIG-CQSZACIVSA-N 1 0 315.373 2.582 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCOC2)c1O ZINC000290207761 426718384 /nfs/dbraw/zinc/71/83/84/426718384.db2.gz QFMSZLDUFDHLSM-LBPRGKRZSA-N 1 0 300.196 2.732 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CCCC3(CCOCC3)C1)OCO2 ZINC000266047502 426721339 /nfs/dbraw/zinc/72/13/39/426721339.db2.gz CEYWPZWWPYAJOV-UHFFFAOYSA-N 1 0 305.374 2.514 20 10 DFCDRO C[C@H](C(=O)NCc1ccc(N(C)C)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237448409 426691973 /nfs/dbraw/zinc/69/19/73/426691973.db2.gz WQWMXIPDSGMYJX-KBXCAEBGSA-N 1 0 311.429 2.705 20 10 DFCDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000237588459 426694671 /nfs/dbraw/zinc/69/46/71/426694671.db2.gz QMWXUFNSDXESEE-BEFAXECRSA-N 1 0 323.440 2.591 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C[S@](C)=O)cc1F ZINC000187830549 426698419 /nfs/dbraw/zinc/69/84/19/426698419.db2.gz ZSXMXRRUDWXFDT-ASSNKEHSSA-N 1 0 314.470 2.871 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3ccccc3[C@H]2O)c1 ZINC000290525181 426784868 /nfs/dbraw/zinc/78/48/68/426784868.db2.gz ZCVJCKYVTPKWJZ-GEWABHDNSA-N 1 0 315.369 2.546 20 10 DFCDRO COc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1O ZINC000281660816 426737440 /nfs/dbraw/zinc/73/74/40/426737440.db2.gz CIVOYQDMAPLBSI-HOTGVXAUSA-N 1 0 317.360 2.848 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 ZINC000281670633 426740373 /nfs/dbraw/zinc/74/03/73/426740373.db2.gz DHZNRATZMWKJFC-RDJZCZTQSA-N 1 0 317.360 2.848 20 10 DFCDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000290345738 426748063 /nfs/dbraw/zinc/74/80/63/426748063.db2.gz IKMLAKZZQOYHKI-QAPCUYQASA-N 1 0 316.445 2.521 20 10 DFCDRO COc1ccc(O)c(CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000179803551 426820487 /nfs/dbraw/zinc/82/04/87/426820487.db2.gz YLVSZCKFOZACPA-INIZCTEOSA-N 1 0 304.434 2.851 20 10 DFCDRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1C ZINC000282618451 426922165 /nfs/dbraw/zinc/92/21/65/426922165.db2.gz FHTDUJVBXQPTCW-FUHWJXTLSA-N 1 0 319.445 2.661 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1[C@H]1CCCO1)OCO2 ZINC000290947661 426870119 /nfs/dbraw/zinc/87/01/19/426870119.db2.gz QKQNXNLTYWBBNV-RHSMWYFYSA-N 1 0 317.385 2.654 20 10 DFCDRO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000282432640 426913167 /nfs/dbraw/zinc/91/31/67/426913167.db2.gz RJNSIGQXLGUMOO-DYVFJYSZSA-N 1 0 310.397 2.816 20 10 DFCDRO CC(C)(O)C[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000189942305 426985269 /nfs/dbraw/zinc/98/52/69/426985269.db2.gz MISXUZKZTKYAEL-UHFFFAOYSA-N 1 0 314.223 2.890 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)c1O ZINC000282944936 426933718 /nfs/dbraw/zinc/93/37/18/426933718.db2.gz GTKAGODYTFTYOF-ZDUSSCGKSA-N 1 0 301.390 2.812 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1 ZINC000282943919 426935035 /nfs/dbraw/zinc/93/50/35/426935035.db2.gz IZNFYHGGALXALC-OAHLLOKOSA-N 1 0 301.390 2.692 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]CCc2nnc(C)s2)c1O ZINC000291637731 426935561 /nfs/dbraw/zinc/93/55/61/426935561.db2.gz SXPHTZOULCBGKZ-UHFFFAOYSA-N 1 0 313.810 2.546 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000283005339 426937745 /nfs/dbraw/zinc/93/77/45/426937745.db2.gz GORMPTXTRAUOND-RLFYNMQTSA-N 1 0 319.445 2.919 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)c1 ZINC000283052657 426943306 /nfs/dbraw/zinc/94/33/06/426943306.db2.gz OZXFKPVRGROCTG-ZDUSSCGKSA-N 1 0 301.390 2.812 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H]3CCOC3)cc2)CC1 ZINC000295856467 427016936 /nfs/dbraw/zinc/01/69/36/427016936.db2.gz XWUKWNXRLRAYNE-DOTOQJQBSA-N 1 0 318.461 2.816 20 10 DFCDRO C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2CCc3cccc(O)c32)C[C@H](C)O1 ZINC000295872229 427017629 /nfs/dbraw/zinc/01/76/29/427017629.db2.gz HDVIYBWPKFNXIF-LZWOXQAQSA-N 1 0 318.461 2.857 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cc(Cl)ccc1O ZINC000283497869 427025418 /nfs/dbraw/zinc/02/54/18/427025418.db2.gz YOFDPDGTPFYKNF-HZMBPMFUSA-N 1 0 308.809 2.898 20 10 DFCDRO CCC[N@H+](Cc1cc(=O)c(OC)co1)Cc1ccccc1O ZINC000268513176 427036890 /nfs/dbraw/zinc/03/68/90/427036890.db2.gz CUMGBJIUXQNCEC-UHFFFAOYSA-N 1 0 303.358 2.766 20 10 DFCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)CCC(N)=O)cc1 ZINC000296021268 427049714 /nfs/dbraw/zinc/04/97/14/427049714.db2.gz MKOKQTWZAUZDTJ-UHFFFAOYSA-N 1 0 317.458 2.692 20 10 DFCDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268743076 427107322 /nfs/dbraw/zinc/10/73/22/427107322.db2.gz SYLNGBQECGDLCI-CABCVRRESA-N 1 0 303.450 2.852 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000276909094 427126355 /nfs/dbraw/zinc/12/63/55/427126355.db2.gz JBHDLXXWQOTLDK-LBPRGKRZSA-N 1 0 324.421 2.794 20 10 DFCDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268846017 427134055 /nfs/dbraw/zinc/13/40/55/427134055.db2.gz AMEFHUHNCBXBQQ-PBHICJAKSA-N 1 0 324.440 2.720 20 10 DFCDRO COC[C@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268841156 427135840 /nfs/dbraw/zinc/13/58/40/427135840.db2.gz IDCONWBBOFARCG-IHRRRGAJSA-N 1 0 310.413 2.564 20 10 DFCDRO C[C@H]([NH2+]CCOCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268855998 427135922 /nfs/dbraw/zinc/13/59/22/427135922.db2.gz CWESQGFHBNSGPX-AWEZNQCLSA-N 1 0 322.424 2.740 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277238671 427141201 /nfs/dbraw/zinc/14/12/01/427141201.db2.gz ZPNVAEQQKISAIW-CQSZACIVSA-N 1 0 312.417 2.810 20 10 DFCDRO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000268962938 427143291 /nfs/dbraw/zinc/14/32/91/427143291.db2.gz XSPUZWCXKKGFFZ-GFCCVEGCSA-N 1 0 303.372 2.897 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCOC[C@H]2C)c1O ZINC000277284759 427150731 /nfs/dbraw/zinc/15/07/31/427150731.db2.gz AFVUGQKFBKWRIU-MFKMUULPSA-N 1 0 314.223 2.978 20 10 DFCDRO CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCC1 ZINC000277338299 427171278 /nfs/dbraw/zinc/17/12/78/427171278.db2.gz UXIWONLGLKGLKF-CQSZACIVSA-N 1 0 304.434 2.966 20 10 DFCDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292658790 427194645 /nfs/dbraw/zinc/19/46/45/427194645.db2.gz AFIQWTULZMEUKN-KRWDZBQOSA-N 1 0 306.450 2.546 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000292818907 427200780 /nfs/dbraw/zinc/20/07/80/427200780.db2.gz PSSGIRQOLAIGTJ-MRXNPFEDSA-N 1 0 307.777 2.877 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296534101 427212713 /nfs/dbraw/zinc/21/27/13/427212713.db2.gz QQCVAQXVIAOQSU-GUYCJALGSA-N 1 0 322.424 2.880 20 10 DFCDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000269515025 427215647 /nfs/dbraw/zinc/21/56/47/427215647.db2.gz PVPVODALMLJLSQ-UHFFFAOYSA-N 1 0 312.413 2.921 20 10 DFCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183519564 427285400 /nfs/dbraw/zinc/28/54/00/427285400.db2.gz WRULNFFDCJIWOS-KPZWWZAWSA-N 1 0 317.385 2.794 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnc(OC)n2)cc1 ZINC000296555079 427221818 /nfs/dbraw/zinc/22/18/18/427221818.db2.gz UVDOTNMFRIUPGW-UHFFFAOYSA-N 1 0 300.406 2.621 20 10 DFCDRO CCC(C)(C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000269603902 427228279 /nfs/dbraw/zinc/22/82/79/427228279.db2.gz BIDJATSOJYASGB-UHFFFAOYSA-N 1 0 305.466 2.831 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000296754841 427229120 /nfs/dbraw/zinc/22/91/20/427229120.db2.gz LAOSTTHFAXRDLB-HOTGVXAUSA-N 1 0 318.461 2.911 20 10 DFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)OC(C)C)cc2F)CC1 ZINC000296711774 427230962 /nfs/dbraw/zinc/23/09/62/427230962.db2.gz NDLKVDSNRRYIMY-UHFFFAOYSA-N 1 0 323.412 2.602 20 10 DFCDRO Nc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000296815813 427238673 /nfs/dbraw/zinc/23/86/73/427238673.db2.gz AGBHULZNFMUONG-GOSISDBHSA-N 1 0 309.413 2.550 20 10 DFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccccc1O ZINC000183498040 427281386 /nfs/dbraw/zinc/28/13/86/427281386.db2.gz FFZJNQZDQCDMEF-NEPJUHHUSA-N 1 0 323.339 2.761 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000269823550 427282556 /nfs/dbraw/zinc/28/25/56/427282556.db2.gz PWVWIWCLEOOZNV-LJQANCHMSA-N 1 0 313.397 2.715 20 10 DFCDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000270325387 427320912 /nfs/dbraw/zinc/32/09/12/427320912.db2.gz ZJLXISULAVZOOZ-GOSISDBHSA-N 1 0 301.361 2.758 20 10 DFCDRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccccc1O ZINC000183544713 427291314 /nfs/dbraw/zinc/29/13/14/427291314.db2.gz GCNTVYPMYBKVSP-ZDUSSCGKSA-N 1 0 319.426 2.788 20 10 DFCDRO CCCC[N@H+](CCO)Cc1cc(Br)ccc1O ZINC000271012021 427370258 /nfs/dbraw/zinc/37/02/58/427370258.db2.gz PNGAJCHJSNXGRF-UHFFFAOYSA-N 1 0 302.212 2.749 20 10 DFCDRO CCCOc1ccc(C[N@H+](CCCOC)CCOC)c(O)c1 ZINC000271112134 427407893 /nfs/dbraw/zinc/40/78/93/427407893.db2.gz FBTBGMXRYSPBNH-UHFFFAOYSA-N 1 0 311.422 2.666 20 10 DFCDRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297542491 427412949 /nfs/dbraw/zinc/41/29/49/427412949.db2.gz FDXUALKDZMYQGG-IRXDYDNUSA-N 1 0 324.424 2.669 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1F ZINC000271233545 427462760 /nfs/dbraw/zinc/46/27/60/427462760.db2.gz RDLGBGOHZQFESO-MRXNPFEDSA-N 1 0 320.383 2.724 20 10 DFCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000293754151 427427573 /nfs/dbraw/zinc/42/75/73/427427573.db2.gz QQBWSURCROVUAY-LSDHHAIUSA-N 1 0 305.466 2.956 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293763113 427429380 /nfs/dbraw/zinc/42/93/80/427429380.db2.gz XXJHEFQVQQAIBF-KRWDZBQOSA-N 1 0 303.402 2.792 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000278414167 427436756 /nfs/dbraw/zinc/43/67/56/427436756.db2.gz FOFFPZJNOQCQLV-GRDNDAEWSA-N 1 0 322.424 2.738 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccccn3)C2)c1 ZINC000271183603 427436919 /nfs/dbraw/zinc/43/69/19/427436919.db2.gz LINJAQOYBBYDLF-MRXNPFEDSA-N 1 0 314.385 2.839 20 10 DFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184698302 427519568 /nfs/dbraw/zinc/51/95/68/427519568.db2.gz UJQATDLDOCUXJW-LBPRGKRZSA-N 1 0 313.781 2.582 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271447376 427541416 /nfs/dbraw/zinc/54/14/16/427541416.db2.gz FDKWFNQLYGDKPE-GXTWGEPZSA-N 1 0 310.438 2.818 20 10 DFCDRO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000192503401 427554300 /nfs/dbraw/zinc/55/43/00/427554300.db2.gz AAJXQFGOWRTYOE-CALCHBBNSA-N 1 0 323.440 2.728 20 10 DFCDRO C[C@@H]([NH2+]CCn1ccnc1)c1ccc(Br)cc1O ZINC000184868846 427557985 /nfs/dbraw/zinc/55/79/85/427557985.db2.gz XWALJHCOUVGQHI-SNVBAGLBSA-N 1 0 310.195 2.702 20 10 DFCDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2O)C1 ZINC000263784545 427569762 /nfs/dbraw/zinc/56/97/62/427569762.db2.gz WXNPFSAJIHWTPY-CQSZACIVSA-N 1 0 319.449 2.702 20 10 DFCDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271555396 427579306 /nfs/dbraw/zinc/57/93/06/427579306.db2.gz WOVHMTULYLCJMV-GFCCVEGCSA-N 1 0 318.396 2.545 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1 ZINC000185026863 427579756 /nfs/dbraw/zinc/57/97/56/427579756.db2.gz OYQUHJYDAWPQNP-NSHDSACASA-N 1 0 320.355 2.936 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@H](CCO)c2ccccc2)cc1OC ZINC000271775052 427585535 /nfs/dbraw/zinc/58/55/35/427585535.db2.gz CFRMQVVJLPQSAU-OAHLLOKOSA-N 1 0 317.385 2.623 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)C[C@H]1O ZINC000271776702 427586051 /nfs/dbraw/zinc/58/60/51/427586051.db2.gz DKVDWOFRNQQHRF-ZWNOBZJWSA-N 1 0 314.223 2.666 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000271803076 427587045 /nfs/dbraw/zinc/58/70/45/427587045.db2.gz JHYMEKHWDLRRGG-KRWDZBQOSA-N 1 0 305.349 2.537 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)c1 ZINC000185099983 427594772 /nfs/dbraw/zinc/59/47/72/427594772.db2.gz JFNJRJKWCSIOOP-ZDUSSCGKSA-N 1 0 316.376 2.920 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000185340578 427636960 /nfs/dbraw/zinc/63/69/60/427636960.db2.gz SVAKIGWKOSJHAV-GFCCVEGCSA-N 1 0 324.421 2.966 20 10 DFCDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185377007 427643655 /nfs/dbraw/zinc/64/36/55/427643655.db2.gz DVRHLNJMEWASEW-LLVKDONJSA-N 1 0 310.825 2.955 20 10 DFCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000294741925 427647686 /nfs/dbraw/zinc/64/76/86/427647686.db2.gz QVOPWGGVSWBELL-IAGOWNOFSA-N 1 0 324.490 2.718 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c1 ZINC000185443999 427655329 /nfs/dbraw/zinc/65/53/29/427655329.db2.gz LTLGMEOPKBHXDX-CQSZACIVSA-N 1 0 304.434 3.000 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@H](C)[C@@H]3CCCO3)cc2)CC1 ZINC000294972740 427669474 /nfs/dbraw/zinc/66/94/74/427669474.db2.gz LDKYDMZXHMDHJJ-BEFAXECRSA-N 1 0 318.461 2.959 20 10 DFCDRO CC(C)OC[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298725524 427690454 /nfs/dbraw/zinc/69/04/54/427690454.db2.gz MQAHCLYQZRCGGU-SFHVURJKSA-N 1 0 306.450 2.503 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](CO)C2)c1O ZINC000295142954 427710725 /nfs/dbraw/zinc/71/07/25/427710725.db2.gz ZWFWINQRCLHVBA-MFKMUULPSA-N 1 0 314.223 2.714 20 10 DFCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1c(O)ccc3ccccc31)CCO2 ZINC000279656548 427715089 /nfs/dbraw/zinc/71/50/89/427715089.db2.gz LGCPKLOFZXHBOM-KUHUBIRLSA-N 1 0 313.397 2.925 20 10 DFCDRO CCOc1cccc(C[NH2+]C2(CC(=O)OC)CCCC2)c1O ZINC000279667082 427715713 /nfs/dbraw/zinc/71/57/13/427715713.db2.gz MSRPCRQVUNMLLV-UHFFFAOYSA-N 1 0 307.390 2.756 20 10 DFCDRO CCOCc1cc(C[NH2+]CCN2CC=CCC2)ccc1OC ZINC000279656011 427715828 /nfs/dbraw/zinc/71/58/28/427715828.db2.gz FRVLQHZCEBRSED-UHFFFAOYSA-N 1 0 304.434 2.583 20 10 DFCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1c(O)ccc3ccccc31)CCO2 ZINC000279656546 427716248 /nfs/dbraw/zinc/71/62/48/427716248.db2.gz LGCPKLOFZXHBOM-IFXJQAMLSA-N 1 0 313.397 2.925 20 10 DFCDRO CC(C)c1nnc([C@@H]2CN(Cc3cc(F)ccc3O)CCO2)o1 ZINC000279632204 427716488 /nfs/dbraw/zinc/71/64/88/427716488.db2.gz IDMNXWAJPRZMEW-AWEZNQCLSA-N 1 0 321.352 2.611 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000279778067 427717029 /nfs/dbraw/zinc/71/70/29/427717029.db2.gz BVMCPBGOTHGMTE-NSHDSACASA-N 1 0 302.340 2.898 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CO)c(C(F)(F)F)c1 ZINC000279746737 427717332 /nfs/dbraw/zinc/71/73/32/427717332.db2.gz XQRFIUDBAUGCDH-ZDUSSCGKSA-N 1 0 302.340 2.728 20 10 DFCDRO CN(C)c1ccc(C[NH2+]Cc2ccnn2C)c(C(F)(F)F)c1 ZINC000279817193 427717964 /nfs/dbraw/zinc/71/79/64/427717964.db2.gz GDCCFBIPFKVHGO-UHFFFAOYSA-N 1 0 312.339 2.795 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1O ZINC000186051539 427744097 /nfs/dbraw/zinc/74/40/97/427744097.db2.gz ZFLCEOAYXHCKMJ-GXTWGEPZSA-N 1 0 316.380 2.641 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)c1O ZINC000369540902 427995882 /nfs/dbraw/zinc/99/58/82/427995882.db2.gz LKYJAIFMWNKQBS-MAUKXSAKSA-N 1 0 321.417 2.561 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000359865377 428052267 /nfs/dbraw/zinc/05/22/67/428052267.db2.gz DTDVPUMWWYQKMB-KYNGSXCRSA-N 1 0 316.445 2.741 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000369618038 428018462 /nfs/dbraw/zinc/01/84/62/428018462.db2.gz UNIMAGPCVIJYQI-MRXNPFEDSA-N 1 0 312.417 3.210 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000360252755 428224071 /nfs/dbraw/zinc/22/40/71/428224071.db2.gz FPGYEHVBAFOASZ-JKSUJKDBSA-N 1 0 304.434 2.897 20 10 DFCDRO Oc1ccc(Cl)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371402925 428389038 /nfs/dbraw/zinc/38/90/38/428389038.db2.gz FPYIURFMEWVYFC-VNQPRFMTSA-N 1 0 306.837 2.962 20 10 DFCDRO CCCOc1ccc(CN2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c(O)c1 ZINC000371552904 428394558 /nfs/dbraw/zinc/39/45/58/428394558.db2.gz KCJCVVPUNCQYSW-RHSMWYFYSA-N 1 0 304.434 2.707 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000371835161 428407034 /nfs/dbraw/zinc/40/70/34/428407034.db2.gz QUECJDBRESVNRM-RYQLBKOJSA-N 1 0 318.461 2.995 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c1O ZINC000360792092 428441270 /nfs/dbraw/zinc/44/12/70/428441270.db2.gz JMXREPZIDAIMTG-UHFFFAOYSA-N 1 0 314.385 2.642 20 10 DFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000372127945 428417488 /nfs/dbraw/zinc/41/74/88/428417488.db2.gz HYQZIPLJMQJBIP-UHFFFAOYSA-N 1 0 311.809 2.817 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c(O)c1 ZINC000372993197 428510837 /nfs/dbraw/zinc/51/08/37/428510837.db2.gz OMLPVZSEOJVQPV-CQSZACIVSA-N 1 0 312.417 2.810 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000373053001 428514338 /nfs/dbraw/zinc/51/43/38/428514338.db2.gz RNXMBXRZJUZLLE-VQIMIIECSA-N 1 0 323.440 2.918 20 10 DFCDRO CCC(=O)N1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000373224588 428523692 /nfs/dbraw/zinc/52/36/92/428523692.db2.gz WIRTYXKUMKKONC-UHFFFAOYSA-N 1 0 310.825 2.798 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1cc(Cl)ccc1O ZINC000373252469 428528467 /nfs/dbraw/zinc/52/84/67/428528467.db2.gz NMXXPNFDLGWOMH-IACUBPJLSA-N 1 0 310.825 2.559 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@]2(CCOC2)O1 ZINC000373492690 428592010 /nfs/dbraw/zinc/59/20/10/428592010.db2.gz FOPGJLJWRPFJNZ-WMZOPIPTSA-N 1 0 305.418 2.779 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1O)CC2 ZINC000362034243 428610937 /nfs/dbraw/zinc/61/09/37/428610937.db2.gz AMAMBEQETKFPPH-ZDUSSCGKSA-N 1 0 320.824 2.613 20 10 DFCDRO COc1cccc(C[N@@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)c1O ZINC000373605271 428618632 /nfs/dbraw/zinc/61/86/32/428618632.db2.gz WWAUOBDSCPGZKU-SFHVURJKSA-N 1 0 321.417 2.561 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000289986038 274114571 /nfs/dbraw/zinc/11/45/71/274114571.db2.gz BXXJFTPXUHOMOM-UHFFFAOYSA-N 1 0 313.353 2.774 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000290525189 274115332 /nfs/dbraw/zinc/11/53/32/274115332.db2.gz ZCVJCKYVTPKWJZ-GYOIFBIXSA-N 1 0 315.369 2.546 20 10 DFCDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2O)n1 ZINC000374285311 428671925 /nfs/dbraw/zinc/67/19/25/428671925.db2.gz YXDOWKNCNZCOOM-HNNXBMFYSA-N 1 0 311.385 2.699 20 10 DFCDRO Oc1ccc(Br)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000374320909 428674610 /nfs/dbraw/zinc/67/46/10/428674610.db2.gz NTDZMIHNYRNUFU-UHFFFAOYSA-N 1 0 312.207 2.910 20 10 DFCDRO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)no1 ZINC000362386759 428726216 /nfs/dbraw/zinc/72/62/16/428726216.db2.gz WMRDYHWIJSECMK-OAHLLOKOSA-N 1 0 300.406 2.824 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)c(O)c1C ZINC000374514800 428690369 /nfs/dbraw/zinc/69/03/69/428690369.db2.gz PTWDDNUWGILKJJ-BPUTZDHNSA-N 1 0 302.418 2.813 20 10 DFCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000423246086 429055648 /nfs/dbraw/zinc/05/56/48/429055648.db2.gz JVSJZGBIOGYXBP-UHFFFAOYSA-N 1 0 316.376 2.873 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1O ZINC000363868536 429132311 /nfs/dbraw/zinc/13/23/11/429132311.db2.gz NUSDANAMTSHTGH-DGCLKSJQSA-N 1 0 320.824 2.709 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]CCn1cc(Br)cn1)CC2 ZINC000296248032 275061586 /nfs/dbraw/zinc/06/15/86/275061586.db2.gz BDHMKIRNEUDWKV-LBPRGKRZSA-N 1 0 322.206 2.628 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CC[C@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000364758380 429263635 /nfs/dbraw/zinc/26/36/35/429263635.db2.gz KAKCXJNISCSIQL-NSHDSACASA-N 1 0 318.329 2.892 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000364758372 429263941 /nfs/dbraw/zinc/26/39/41/429263941.db2.gz KAKCXJNISCSIQL-LLVKDONJSA-N 1 0 318.329 2.892 20 10 DFCDRO COCC1(C[NH2+]Cc2cc(Cl)cc(C)c2O)CCOCC1 ZINC000366555931 429475616 /nfs/dbraw/zinc/47/56/16/429475616.db2.gz MUGWNIIXZLESOT-UHFFFAOYSA-N 1 0 313.825 2.887 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000367306852 429617207 /nfs/dbraw/zinc/61/72/07/429617207.db2.gz BBPLZUGDALBEPY-CABCVRRESA-N 1 0 300.406 2.555 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000367356299 429629949 /nfs/dbraw/zinc/62/99/49/429629949.db2.gz LTIUBNXRYUIOPN-WMZOPIPTSA-N 1 0 318.461 2.888 20 10 DFCDRO Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000367423620 429643457 /nfs/dbraw/zinc/64/34/57/429643457.db2.gz VUEITQNNJRBXQS-BEFAXECRSA-N 1 0 313.397 2.973 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(C)cc1O ZINC000367258994 429606375 /nfs/dbraw/zinc/60/63/75/429606375.db2.gz GBEKHCYOJKZTBU-GDBMZVCRSA-N 1 0 302.418 2.943 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O ZINC000367803081 429719768 /nfs/dbraw/zinc/71/97/68/429719768.db2.gz QSWHEHPQJSLRJG-ZBFHGGJFSA-N 1 0 310.397 2.844 20 10 DFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1C ZINC000527808860 429803013 /nfs/dbraw/zinc/80/30/13/429803013.db2.gz RIHQIUFUURFMOS-QGZVFWFLSA-N 1 0 310.397 2.926 20 10 DFCDRO COC(=O)[C@@H]1CCCCC[N@@H+]1[C@H](C)c1cc(OC)ccc1O ZINC000368030848 429769693 /nfs/dbraw/zinc/76/96/93/429769693.db2.gz PYAOMIIYSYVDHS-DOMZBBRYSA-N 1 0 307.390 2.879 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368041402 429773089 /nfs/dbraw/zinc/77/30/89/429773089.db2.gz KWJQDDFFUANORY-CZUORRHYSA-N 1 0 312.417 3.095 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000368568451 429868760 /nfs/dbraw/zinc/86/87/60/429868760.db2.gz QQOWNSDTCZUFGV-UONOGXRCSA-N 1 0 321.417 2.732 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3nc(C)cn3C2)c1 ZINC000368314861 429829738 /nfs/dbraw/zinc/82/97/38/429829738.db2.gz GGASTCRUIOKWKH-OLZOCXBDSA-N 1 0 301.390 2.571 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000528015741 429837648 /nfs/dbraw/zinc/83/76/48/429837648.db2.gz MORRTICRVWHSCV-CQSZACIVSA-N 1 0 304.434 3.000 20 10 DFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2COC2)c1O ZINC000528029389 429838742 /nfs/dbraw/zinc/83/87/42/429838742.db2.gz YWKMFEYUZCPARX-SECBINFHSA-N 1 0 300.196 2.760 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000151382336 276883806 /nfs/dbraw/zinc/88/38/06/276883806.db2.gz KOIJNSPUEYFIEY-WBVHZDCISA-N 1 0 306.475 2.897 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc1F ZINC000280132133 276884024 /nfs/dbraw/zinc/88/40/24/276884024.db2.gz OZMYPIFXSLYRBQ-HNNXBMFYSA-N 1 0 302.397 2.792 20 10 DFCDRO Cc1cc(C(=O)N[C@@](C)(C[NH3+])C(C)C)c(C)n1-c1ccccn1 ZINC000158247271 280357862 /nfs/dbraw/zinc/35/78/62/280357862.db2.gz RKEQHAGUDBGTHN-SFHVURJKSA-N 1 0 314.433 2.592 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1cc(Cl)ccc1O ZINC000367434913 290002950 /nfs/dbraw/zinc/00/29/50/290002950.db2.gz ABNARYRLWDMZCJ-VAHXTSCQSA-N 1 0 308.809 2.753 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN(C)CC(F)(F)F)c1 ZINC000273614531 295168573 /nfs/dbraw/zinc/16/85/73/295168573.db2.gz WXZQZBVPCUCSIE-JTQLQIEISA-N 1 0 306.328 2.546 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000363466512 331917315 /nfs/dbraw/zinc/91/73/15/331917315.db2.gz AMAQZGOCGRFUNF-AWEZNQCLSA-N 1 0 318.808 2.594 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000130429331 332024659 /nfs/dbraw/zinc/02/46/59/332024659.db2.gz JKDGGZNVGGDXDQ-ZFWWWQNUSA-N 1 0 301.386 2.655 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCOC2)c1O ZINC000180623904 333029135 /nfs/dbraw/zinc/02/91/35/333029135.db2.gz LMSQEMYIPZQMNL-NSHDSACASA-N 1 0 314.223 2.931 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c1 ZINC000182335577 333038313 /nfs/dbraw/zinc/03/83/13/333038313.db2.gz FUKFPQYSZVMHLL-NSHDSACASA-N 1 0 310.394 2.576 20 10 DFCDRO COc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1O ZINC000293782520 335117570 /nfs/dbraw/zinc/11/75/70/335117570.db2.gz ZHYFEUXPCSODFZ-QGZVFWFLSA-N 1 0 303.402 2.792 20 10 DFCDRO COc1cc(Cl)cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1O ZINC000184694480 333364099 /nfs/dbraw/zinc/36/40/99/333364099.db2.gz QBRZRMAJNVXBTN-BXUZGUMPSA-N 1 0 310.825 2.723 20 10 DFCDRO C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296279004 335142852 /nfs/dbraw/zinc/14/28/52/335142852.db2.gz DYKCWOLOPZWSGT-ZIAGYGMSSA-N 1 0 324.440 2.862 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](O)[C@@H]3C)cc2)CC1 ZINC000296330680 335143337 /nfs/dbraw/zinc/14/33/37/335143337.db2.gz QSVIMZPCBZYWBL-KXBFYZLASA-N 1 0 318.461 2.647 20 10 DFCDRO CCCOc1ccc(C[N@H+](C)CCOCCCOC)c(O)c1 ZINC000272329737 334032866 /nfs/dbraw/zinc/03/28/66/334032866.db2.gz DHDZSZFEFWTWSD-UHFFFAOYSA-N 1 0 311.422 2.666 20 10 DFCDRO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000272441960 334034622 /nfs/dbraw/zinc/03/46/22/334034622.db2.gz OQJWZXQHULRHKM-CYBMUJFWSA-N 1 0 316.380 2.906 20 10 DFCDRO COc1cc(N2CC[NH+](Cc3ccccc3O)CC2)ccc1F ZINC000283022539 334138880 /nfs/dbraw/zinc/13/88/80/334138880.db2.gz MKQROVYTBUJNKI-UHFFFAOYSA-N 1 0 316.376 2.862 20 10 DFCDRO CCc1ccc([C@H](O)C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000285418366 334147658 /nfs/dbraw/zinc/14/76/58/334147658.db2.gz GLRYUWCLKWELFF-MRXNPFEDSA-N 1 0 301.386 2.786 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1cn3c(n1)SCC3)CC2 ZINC000296389695 334233360 /nfs/dbraw/zinc/23/33/60/334233360.db2.gz JTCYEEOVQMGUAC-ZDUSSCGKSA-N 1 0 301.415 2.514 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1C ZINC000366899202 335325802 /nfs/dbraw/zinc/32/58/02/335325802.db2.gz BJIGYOCXFFPMCH-LJQANCHMSA-N 1 0 313.397 2.769 20 10 DFCDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000192905071 336283265 /nfs/dbraw/zinc/28/32/65/336283265.db2.gz PHSQVOQWJLVBTJ-ZDUSSCGKSA-N 1 0 306.406 2.972 20 10 DFCDRO Nc1ccc(NC(=O)C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000361734573 336770509 /nfs/dbraw/zinc/77/05/09/336770509.db2.gz RRHGANCKLKIQCA-UHFFFAOYSA-N 1 0 310.401 2.515 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Br)ccc1O ZINC000367686781 336827971 /nfs/dbraw/zinc/82/79/71/336827971.db2.gz JLNKHGPVNCEFRX-ZBPZKIAKSA-N 1 0 312.207 2.698 20 10 DFCDRO COc1cccc(-n2cc(C[NH2+][C@@H](C)c3ccccc3O)nn2)c1 ZINC000367798642 336829761 /nfs/dbraw/zinc/82/97/61/336829761.db2.gz ALZDLXKLTRLIHC-ZDUSSCGKSA-N 1 0 324.384 2.832 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(C)n3C2)cc1 ZINC000369453142 336864844 /nfs/dbraw/zinc/86/48/44/336864844.db2.gz SNDUAXMWHPKSJM-XJKSGUPXSA-N 1 0 313.449 2.708 20 10 DFCDRO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccccc1O ZINC000371546662 336907771 /nfs/dbraw/zinc/90/77/71/336907771.db2.gz NNDXNTUDOSGRFT-GFCCVEGCSA-N 1 0 316.426 2.689 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)CC2 ZINC000373561884 336964702 /nfs/dbraw/zinc/96/47/02/336964702.db2.gz QZOGJMLUVSYRQA-ZFWWWQNUSA-N 1 0 314.433 2.910 20 10 DFCDRO Cc1n[nH]cc1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000375270759 337007057 /nfs/dbraw/zinc/00/70/57/337007057.db2.gz WYJAGGWNENGZCY-UHFFFAOYSA-N 1 0 315.373 2.532 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@H](O)C3)CC2)cc1 ZINC000305188711 337018087 /nfs/dbraw/zinc/01/80/87/337018087.db2.gz XSXRZDHZMVCYHT-QAPCUYQASA-N 1 0 318.461 2.805 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@@H](O)C3)CC2)cc1 ZINC000305188706 337018100 /nfs/dbraw/zinc/01/81/00/337018100.db2.gz XSXRZDHZMVCYHT-CRAIPNDOSA-N 1 0 318.461 2.805 20 10 DFCDRO Cc1noc([C@H]([NH2+]Cc2cccc(C)c2O)C2CCOCC2)n1 ZINC000375888989 337022170 /nfs/dbraw/zinc/02/21/70/337022170.db2.gz GUFXTKBKVZYPPH-OAHLLOKOSA-N 1 0 317.389 2.650 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccncn2)C1)c1ccccc1O ZINC000376323011 337031397 /nfs/dbraw/zinc/03/13/97/337031397.db2.gz SKBZWRAIARIONQ-GDBMZVCRSA-N 1 0 312.417 2.892 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCCCO3)C1)OCO2 ZINC000376480543 337034447 /nfs/dbraw/zinc/03/44/47/337034447.db2.gz ZPFZRBWLDVSLLS-KRWDZBQOSA-N 1 0 305.374 2.656 20 10 DFCDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000376940823 337043901 /nfs/dbraw/zinc/04/39/01/337043901.db2.gz KNIXGWYKOAEPED-JKSUJKDBSA-N 1 0 321.417 2.552 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c1 ZINC000377543099 337054747 /nfs/dbraw/zinc/05/47/47/337054747.db2.gz PIWYCMVACLODSB-OJDYBEQGSA-N 1 0 318.417 2.580 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000377890307 337063530 /nfs/dbraw/zinc/06/35/30/337063530.db2.gz UHOAJCVYECQBEK-QWHCGFSZSA-N 1 0 301.390 2.685 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CCC[C@H](C)CO)CC2)cc1 ZINC000378407107 337072057 /nfs/dbraw/zinc/07/20/57/337072057.db2.gz WOCWHRVIKLHNSV-HNNXBMFYSA-N 1 0 306.450 2.662 20 10 DFCDRO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1cc(C)ccc1O)CCC2 ZINC000378560593 337075675 /nfs/dbraw/zinc/07/56/75/337075675.db2.gz NHRGZXDVIXQMCB-INIZCTEOSA-N 1 0 315.417 2.711 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000175588636 337148132 /nfs/dbraw/zinc/14/81/32/337148132.db2.gz FKZCKUNFJZCNNU-GFCCVEGCSA-N 1 0 317.364 2.837 20 10 DFCDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)c(C)n1-c1cccc(C)c1 ZINC000178764291 337165107 /nfs/dbraw/zinc/16/51/07/337165107.db2.gz MEGNMORESOKRGI-INIZCTEOSA-N 1 0 311.429 2.884 20 10 DFCDRO CCOC(C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)OCC ZINC000184951591 337201963 /nfs/dbraw/zinc/20/19/63/337201963.db2.gz HPITVAOTHSQMAT-UHFFFAOYSA-N 1 0 322.449 2.606 20 10 DFCDRO COc1ccc(N2CCC[N@H+](C[C@](C)(O)C(C)C)CC2)cc1 ZINC000184967314 337202059 /nfs/dbraw/zinc/20/20/59/337202059.db2.gz SPKLNVCSOXYDFK-SFHVURJKSA-N 1 0 306.450 2.614 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1O)CC2 ZINC000185995751 337252486 /nfs/dbraw/zinc/25/24/86/337252486.db2.gz BWNJVFDQUKVJOE-STQMWFEESA-N 1 0 300.406 2.520 20 10 DFCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H]1CCOC1 ZINC000230684122 337273114 /nfs/dbraw/zinc/27/31/14/337273114.db2.gz SCAGLRIDNLRFSE-VHSXEESVSA-N 1 0 300.196 2.669 20 10 DFCDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2O)[C@H]1c1ccc(F)cc1 ZINC000120004970 337395442 /nfs/dbraw/zinc/39/54/42/337395442.db2.gz UISWYQSYUHMQHF-CRAIPNDOSA-N 1 0 314.360 2.593 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000247068347 337557554 /nfs/dbraw/zinc/55/75/54/337557554.db2.gz PZPWVGOPLORERI-CJNGLKHVSA-N 1 0 313.449 2.708 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1O ZINC000248896460 341389665 /nfs/dbraw/zinc/38/96/65/341389665.db2.gz VHEUVPMNZQLQQV-AWEZNQCLSA-N 1 0 310.825 2.724 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2ccccc2)c1O ZINC000276053799 341654590 /nfs/dbraw/zinc/65/45/90/341654590.db2.gz URLSQHDCDXWVOD-HNNXBMFYSA-N 1 0 321.804 2.747 20 10 DFCDRO CCOc1ccc(O)c(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000289737839 500712369 /nfs/dbraw/zinc/71/23/69/500712369.db2.gz PZYWPHRVYBKWDK-HOCLYGCPSA-N 1 0 304.434 2.850 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)c1O ZINC000188014351 518284397 /nfs/dbraw/zinc/28/43/97/518284397.db2.gz UJBOCTNOHQCFCZ-GTNSWQLSSA-N 1 0 309.381 2.717 20 10 DFCDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268840299 519362777 /nfs/dbraw/zinc/36/27/77/519362777.db2.gz NABOTVDTWNXJBI-GOEBONIOSA-N 1 0 324.440 2.720 20 10 DFCDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000151044913 519511094 /nfs/dbraw/zinc/51/10/94/519511094.db2.gz RPVXSCMINBMXRJ-AWEZNQCLSA-N 1 0 303.450 2.662 20 10 DFCDRO CC(C)[NH+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000180450961 519635518 /nfs/dbraw/zinc/63/55/18/519635518.db2.gz GTUHJJCUBRBGBU-UHFFFAOYSA-N 1 0 305.466 2.830 20 10 DFCDRO CCOCc1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)ccc1OC ZINC000189929810 520189832 /nfs/dbraw/zinc/18/98/32/520189832.db2.gz IQKGEBBHTPVQFQ-WBVHZDCISA-N 1 0 307.434 2.872 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)(F)F)c(O)c1 ZINC000270773235 520370774 /nfs/dbraw/zinc/37/07/74/520370774.db2.gz ARVNJDYZNOEBDH-GXTWGEPZSA-N 1 0 321.339 2.972 20 10 DFCDRO CCCCOC[C@H](O)C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000365033498 520804907 /nfs/dbraw/zinc/80/49/07/520804907.db2.gz IECVKEIGULIDJN-LJQANCHMSA-N 1 0 318.461 2.629 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cc1F ZINC000130989538 520892628 /nfs/dbraw/zinc/89/26/28/520892628.db2.gz ZSXMXRRUDWXFDT-YEJXKQKISA-N 1 0 314.470 2.871 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)CCC1CC[NH2+]CC1 ZINC000155291744 521686848 /nfs/dbraw/zinc/68/68/48/521686848.db2.gz MBIJXBZOMPWLRS-UHFFFAOYSA-N 1 0 304.434 2.911 20 10 DFCDRO C[NH+](C)CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C ZINC000180788703 521812399 /nfs/dbraw/zinc/81/23/99/521812399.db2.gz UTBBOIMTDHVKKH-DYLHUKMJSA-N 1 0 320.433 2.594 20 10 DFCDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000183050941 522359776 /nfs/dbraw/zinc/35/97/76/522359776.db2.gz RHEHUFXTAOTESM-CABCVRRESA-N 1 0 305.466 2.735 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000248888047 522537734 /nfs/dbraw/zinc/53/77/34/522537734.db2.gz RIARCGSRYMQMQH-IUODEOHRSA-N 1 0 324.852 2.970 20 10 DFCDRO COc1cc(O)c(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1OC ZINC000190174139 522774345 /nfs/dbraw/zinc/77/43/45/522774345.db2.gz PGHPYYMLXKLZSA-MRXNPFEDSA-N 1 0 321.417 2.800 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)cc1OC ZINC000182489612 522781738 /nfs/dbraw/zinc/78/17/38/522781738.db2.gz DFUXNGCDLKNGMO-WBVHZDCISA-N 1 0 309.406 2.703 20 10 DFCDRO COCCC[N@@H+]1CCCN([C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000364986563 523300275 /nfs/dbraw/zinc/30/02/75/523300275.db2.gz TWDNNPBRMCVIPV-HNNXBMFYSA-N 1 0 322.449 2.506 20 10 DFCDRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000179878934 523606279 /nfs/dbraw/zinc/60/62/79/523606279.db2.gz XEQQATSEBUKNRZ-INIZCTEOSA-N 1 0 313.449 2.744 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)Cc3cnc[nH]3)CC2)cc1 ZINC000367432883 524404153 /nfs/dbraw/zinc/40/41/53/524404153.db2.gz RCKSWWBTDMUTQP-UHFFFAOYSA-N 1 0 300.406 2.519 20 10 DFCDRO C[C@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)C[C@H](C)O1 ZINC000179990302 524605115 /nfs/dbraw/zinc/60/51/15/524605115.db2.gz KCNJVBMIBYWIEG-ZQIUZPCESA-N 1 0 322.424 2.605 20 10 DFCDRO COc1ccc(O)c(CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000179936445 524739867 /nfs/dbraw/zinc/73/98/67/524739867.db2.gz RBLWKASBEVFTMO-UHFFFAOYSA-N 1 0 304.434 2.851 20 10 DFCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000179878076 524755323 /nfs/dbraw/zinc/75/53/23/524755323.db2.gz WURNXSCQCIBBCS-GJZGRUSLSA-N 1 0 301.386 2.791 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)c1 ZINC000179670919 524771915 /nfs/dbraw/zinc/77/19/15/524771915.db2.gz WWTSMISAFOFKQC-STQMWFEESA-N 1 0 303.406 2.893 20 10 DFCDRO Cc1cc(Cl)cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1O ZINC000180579692 524864189 /nfs/dbraw/zinc/86/41/89/524864189.db2.gz JOINILTYZPOVGN-CQSZACIVSA-N 1 0 324.852 2.508 20 10 DFCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000180157185 525189716 /nfs/dbraw/zinc/18/97/16/525189716.db2.gz HINQIVBISJNWBK-MRXNPFEDSA-N 1 0 305.349 2.705 20 10 DFCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000180253374 525190521 /nfs/dbraw/zinc/19/05/21/525190521.db2.gz ODLYVKNMWPAOHO-QGZVFWFLSA-N 1 0 317.385 2.575 20 10 DFCDRO Cc1cc(O)c(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1C ZINC000266184386 525318014 /nfs/dbraw/zinc/31/80/14/525318014.db2.gz MEWXVHYDPRHMLM-UHFFFAOYSA-N 1 0 304.434 2.746 20 10 DFCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000180157165 525361062 /nfs/dbraw/zinc/36/10/62/525361062.db2.gz HINQIVBISJNWBK-INIZCTEOSA-N 1 0 305.349 2.705 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1O ZINC000187985995 526156392 /nfs/dbraw/zinc/15/63/92/526156392.db2.gz VZQHKQCLEOOCBS-MFKMUULPSA-N 1 0 314.223 2.714 20 10 DFCDRO Cc1cc(C(=O)N2CCC[NH2+]CC2)c(C)n1-c1cccc(C)c1 ZINC000237820352 526245029 /nfs/dbraw/zinc/24/50/29/526245029.db2.gz LUQHNCRJBNIWCQ-UHFFFAOYSA-N 1 0 311.429 2.838 20 10 DFCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000131117241 526362624 /nfs/dbraw/zinc/36/26/24/526362624.db2.gz VMYOZIITWXHVCR-CQSZACIVSA-N 1 0 324.852 2.590 20 10 DFCDRO Oc1ccccc1C[N@H+](CCC1OCCCO1)C[C@@H]1CCCO1 ZINC000267931566 526371836 /nfs/dbraw/zinc/37/18/36/526371836.db2.gz LSRBWSCZCSEGDR-INIZCTEOSA-N 1 0 321.417 2.526 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@]12CCCO2 ZINC000272690520 535509100 /nfs/dbraw/zinc/50/91/00/535509100.db2.gz PIWXJNNKTFMECV-KSZLIROESA-N 1 0 304.434 2.569 20 10 DFCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2O)C[C@H]1C ZINC000289450149 535555291 /nfs/dbraw/zinc/55/52/91/535555291.db2.gz NCPDANJGYYEPCM-BPLDGKMQSA-N 1 0 321.417 2.858 20 10 DFCDRO CCSCC[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000273742840 535686058 /nfs/dbraw/zinc/68/60/58/535686058.db2.gz OCWKGYXORGEGDN-UHFFFAOYSA-N 1 0 312.454 2.630 20 10 DFCDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000285048661 535782090 /nfs/dbraw/zinc/78/20/90/535782090.db2.gz ILHCHGVTCLUFMO-KBPBESRZSA-N 1 0 306.406 2.890 20 10 DFCDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000285048668 535782458 /nfs/dbraw/zinc/78/24/58/535782458.db2.gz ILHCHGVTCLUFMO-KGLIPLIRSA-N 1 0 306.406 2.890 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286263381 536147949 /nfs/dbraw/zinc/14/79/49/536147949.db2.gz BBCHTKANBMTUJH-ZFWWWQNUSA-N 1 0 316.367 2.745 20 10 DFCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(OC)ccc1O ZINC000272429636 536768449 /nfs/dbraw/zinc/76/84/49/536768449.db2.gz QEUZUPRSCNJNTF-PBHICJAKSA-N 1 0 307.390 2.612 20 10 DFCDRO COC[C@H](C)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000124558293 522591707 /nfs/dbraw/zinc/59/17/07/522591707.db2.gz NFTZTZIZJGCTAZ-JTQLQIEISA-N 1 0 302.212 2.930 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)C3CCC3)CC2)cc1C ZINC000066079955 398357178 /nfs/dbraw/zinc/35/71/78/398357178.db2.gz GRDUGJBVEOVDPJ-UHFFFAOYSA-N 1 0 316.445 2.890 20 10 DFCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCCNC1=O ZINC000009976541 398375910 /nfs/dbraw/zinc/37/59/10/398375910.db2.gz MZTPQCZCORUTOV-SFHVURJKSA-N 1 0 315.461 2.777 20 10 DFCDRO C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000090083128 185281204 /nfs/dbraw/zinc/28/12/04/185281204.db2.gz UMSKUBCNVSKLOM-HNNXBMFYSA-N 1 0 306.450 2.989 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1 ZINC000090183612 185286006 /nfs/dbraw/zinc/28/60/06/185286006.db2.gz JFGVPGMOAVAQJZ-CQSZACIVSA-N 1 0 324.490 2.618 20 10 DFCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000090411948 185295185 /nfs/dbraw/zinc/29/51/85/185295185.db2.gz OYGUPNWEKKZFBD-GDBMZVCRSA-N 1 0 318.465 2.597 20 10 DFCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000092456217 185319521 /nfs/dbraw/zinc/31/95/21/185319521.db2.gz RLQSYJHHDKQMOE-CQSZACIVSA-N 1 0 307.390 2.566 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000092482226 185321246 /nfs/dbraw/zinc/32/12/46/185321246.db2.gz ONJYPCCFHIXYTO-UHFFFAOYSA-N 1 0 316.474 2.921 20 10 DFCDRO CCC[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccccc1O ZINC000092704970 185334186 /nfs/dbraw/zinc/33/41/86/185334186.db2.gz MAJNBLKAASZESI-UHFFFAOYSA-N 1 0 315.417 2.834 20 10 DFCDRO CCN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccc(F)cc1 ZINC000592480717 398431690 /nfs/dbraw/zinc/43/16/90/398431690.db2.gz KCOJNUQGOGQLCB-GFCCVEGCSA-N 1 0 316.380 2.525 20 10 DFCDRO Cc1cccc2c1CCCN2C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592533900 398443797 /nfs/dbraw/zinc/44/37/97/398443797.db2.gz NYQORCROUFVPBV-AWEZNQCLSA-N 1 0 324.428 2.621 20 10 DFCDRO COc1ccccc1C[N@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000091790036 398546193 /nfs/dbraw/zinc/54/61/93/398546193.db2.gz XQNJZZPXAAWQQO-UHFFFAOYSA-N 1 0 314.429 2.756 20 10 DFCDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1 ZINC000092472559 398579286 /nfs/dbraw/zinc/57/92/86/398579286.db2.gz LMINAQKVTNLJPX-GOSISDBHSA-N 1 0 315.413 2.710 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c1 ZINC000093363064 398634285 /nfs/dbraw/zinc/63/42/85/398634285.db2.gz YGGYVNPZWYZECF-INIZCTEOSA-N 1 0 302.418 2.678 20 10 DFCDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000093482004 398639436 /nfs/dbraw/zinc/63/94/36/398639436.db2.gz DNYULVDLLRUKEI-ZWNOBZJWSA-N 1 0 314.223 2.890 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000093585980 398640665 /nfs/dbraw/zinc/64/06/65/398640665.db2.gz OVGRJSKKCLZJOU-QAPCUYQASA-N 1 0 305.418 2.918 20 10 DFCDRO Oc1ccc(Cl)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093536958 398641538 /nfs/dbraw/zinc/64/15/38/398641538.db2.gz FPYIURFMEWVYFC-FVQBIDKESA-N 1 0 306.837 2.962 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1O ZINC000093870183 398649128 /nfs/dbraw/zinc/64/91/28/398649128.db2.gz UIJKHXIPGVJRQM-AWEZNQCLSA-N 1 0 315.417 2.589 20 10 DFCDRO CCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000236787603 202008417 /nfs/dbraw/zinc/00/84/17/202008417.db2.gz AJIYSMHIAWIIRT-KRWDZBQOSA-N 1 0 303.450 2.763 20 10 DFCDRO CCC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000236894311 202058926 /nfs/dbraw/zinc/05/89/26/202058926.db2.gz AJIYSMHIAWIIRT-QGZVFWFLSA-N 1 0 303.450 2.763 20 10 DFCDRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(N(C)C)cc1 ZINC000168283042 299281536 /nfs/dbraw/zinc/28/15/36/299281536.db2.gz KOUWJMWVMUMSBY-HNNXBMFYSA-N 1 0 305.466 2.514 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(O)c1 ZINC000091856477 193119379 /nfs/dbraw/zinc/11/93/79/193119379.db2.gz SHPRJXDXHHDWQA-DOTOQJQBSA-N 1 0 323.458 2.887 20 10 DFCDRO COc1cccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1O ZINC000093442657 193253438 /nfs/dbraw/zinc/25/34/38/193253438.db2.gz CJIUORXWWIMDCH-INIZCTEOSA-N 1 0 301.386 2.956 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000020567262 182233229 /nfs/dbraw/zinc/23/32/29/182233229.db2.gz MXOLVDKLMYQBMU-CYBMUJFWSA-N 1 0 305.761 2.975 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)c(O)c1 ZINC000105492906 194106744 /nfs/dbraw/zinc/10/67/44/194106744.db2.gz FJQDEHKQFPNICT-QGZVFWFLSA-N 1 0 315.413 2.874 20 10 DFCDRO CC[NH+](CC)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000063445245 184281749 /nfs/dbraw/zinc/28/17/49/184281749.db2.gz KICVKQFFADMGFH-UHFFFAOYSA-N 1 0 314.433 2.561 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CCO)c2ccccc2)c1O ZINC000271817028 129965294 /nfs/dbraw/zinc/96/52/94/129965294.db2.gz VDIPVXPCXSZHIV-KRWDZBQOSA-N 1 0 317.360 2.947 20 10 DFCDRO COCC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccco1 ZINC000272545658 130040819 /nfs/dbraw/zinc/04/08/19/130040819.db2.gz QBDWSKKXHTZZOF-CYBMUJFWSA-N 1 0 321.373 2.870 20 10 DFCDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000273344708 130108974 /nfs/dbraw/zinc/10/89/74/130108974.db2.gz AIZZPGMLYVGWHD-ORAYPTAESA-N 1 0 319.445 2.709 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000273344704 130109801 /nfs/dbraw/zinc/10/98/01/130109801.db2.gz AIZZPGMLYVGWHD-BFUOFWGJSA-N 1 0 319.445 2.709 20 10 DFCDRO C[C@@H]([NH2+]Cc1nccn1C)c1cc(Br)ccc1O ZINC000273593471 130142440 /nfs/dbraw/zinc/14/24/40/130142440.db2.gz PYIHRCXMNPIICY-SECBINFHSA-N 1 0 310.195 2.739 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c(O)c1C ZINC000273604704 130142813 /nfs/dbraw/zinc/14/28/13/130142813.db2.gz SWCXHZDQBSYWJJ-BBRMVZONSA-N 1 0 306.450 2.628 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(Br)cc1O ZINC000273618415 130145565 /nfs/dbraw/zinc/14/55/65/130145565.db2.gz YIEJRTOAEFRRFN-VHSXEESVSA-N 1 0 302.212 2.824 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccc(C)o2)c1O ZINC000273817433 130171966 /nfs/dbraw/zinc/17/19/66/130171966.db2.gz ZWWXFQJSUBSNPD-GFCCVEGCSA-N 1 0 311.765 2.779 20 10 DFCDRO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc(F)ccc1O ZINC000274450596 130235562 /nfs/dbraw/zinc/23/55/62/130235562.db2.gz YSUVLMOTQTYQLV-SNVBAGLBSA-N 1 0 307.394 2.727 20 10 DFCDRO CCc1nnc(CN(Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000274645038 130252202 /nfs/dbraw/zinc/25/22/02/130252202.db2.gz LWLYXYTVTCHZIW-UHFFFAOYSA-N 1 0 301.438 2.844 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@H](OCC)[C@H]2OC)ccc1OC ZINC000274897472 130271570 /nfs/dbraw/zinc/27/15/70/130271570.db2.gz GBHGSDFHMIKJRI-NJAFHUGGSA-N 1 0 323.433 2.514 20 10 DFCDRO CC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275106720 130291475 /nfs/dbraw/zinc/29/14/75/130291475.db2.gz DQWSTYJDCOWGFH-GXSJLCMTSA-N 1 0 302.212 2.885 20 10 DFCDRO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C)ccc1O ZINC000275550436 130336127 /nfs/dbraw/zinc/33/61/27/130336127.db2.gz NGWPVJDIQPIHMX-KBXCAEBGSA-N 1 0 315.417 2.784 20 10 DFCDRO Cn1cncc1[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000275713242 130369243 /nfs/dbraw/zinc/36/92/43/130369243.db2.gz YMYOUFHOPLNEOD-BDJLRTHQSA-N 1 0 321.808 2.789 20 10 DFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000278673351 130711916 /nfs/dbraw/zinc/71/19/16/130711916.db2.gz OIZIOGTZALTSKK-RTBURBONSA-N 1 0 318.461 2.961 20 10 DFCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1c(C)cc(C)cc1O)CC2 ZINC000284042916 131043529 /nfs/dbraw/zinc/04/35/29/131043529.db2.gz JYDXYYVXWRLPFF-TZMCWYRMSA-N 1 0 300.406 2.575 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCOCC2(C)C)c(O)c1 ZINC000284125415 131051060 /nfs/dbraw/zinc/05/10/60/131051060.db2.gz NYYZRDMDCSSJHH-HNNXBMFYSA-N 1 0 306.450 2.770 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c(O)c1 ZINC000284249014 131063375 /nfs/dbraw/zinc/06/33/75/131063375.db2.gz VNHDCLWTQGKGRA-OAHLLOKOSA-N 1 0 306.450 2.770 20 10 DFCDRO CN1C[C@@H]2[C@@H](CCC[N@@H+]2Cc2c(O)ccc3ccccc32)C1=O ZINC000284734818 131107787 /nfs/dbraw/zinc/10/77/87/131107787.db2.gz WAVQYKZUEZJGTF-NVXWUHKLSA-N 1 0 310.397 2.598 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1O ZINC000285005788 131129796 /nfs/dbraw/zinc/12/97/96/131129796.db2.gz ZXHFVJCNAJMZDM-CRAIPNDOSA-N 1 0 324.424 2.777 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCNC(=O)c2ccco2)c(O)c1 ZINC000285213877 131147996 /nfs/dbraw/zinc/14/79/96/131147996.db2.gz OPRMNEFPCKBTKD-ZDUSSCGKSA-N 1 0 302.374 2.683 20 10 DFCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(C)COC3)cc2F)C[C@@H](C)O1 ZINC000285350385 131159812 /nfs/dbraw/zinc/15/98/12/131159812.db2.gz DOFSHSZPTGFVAN-ZIAGYGMSSA-N 1 0 322.424 2.565 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000286875339 131253262 /nfs/dbraw/zinc/25/32/62/131253262.db2.gz CAVNQLHMMKCFRF-HUUCEWRRSA-N 1 0 324.490 2.618 20 10 DFCDRO COc1cccc(CN2CCCC[C@@H]2c2nc(C)no2)c1O ZINC000289138588 131361800 /nfs/dbraw/zinc/36/18/00/131361800.db2.gz ABVICNGXWYJEIW-CYBMUJFWSA-N 1 0 303.362 2.819 20 10 DFCDRO COc1cccc(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)c1O ZINC000289514922 131392659 /nfs/dbraw/zinc/39/26/59/131392659.db2.gz VAFPPPOYJPFWOK-AWEZNQCLSA-N 1 0 320.414 2.999 20 10 DFCDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cccc(OC)c1O ZINC000169265594 542755139 /nfs/dbraw/zinc/75/51/39/542755139.db2.gz JKQBCRXIFDUSIZ-UHFFFAOYSA-N 1 0 303.406 2.549 20 10 DFCDRO CCC(CC)(CO)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000230935369 542893376 /nfs/dbraw/zinc/89/33/76/542893376.db2.gz ZNOCVKUZAQROEG-UHFFFAOYSA-N 1 0 301.814 2.943 20 10 DFCDRO OC[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000289934730 335067149 /nfs/dbraw/zinc/06/71/49/335067149.db2.gz TYTNLEPKENAKCI-AZUAARDMSA-N 1 0 309.409 2.877 20 10 DFCDRO OC[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)C[C@@H]1c1ccccc1 ZINC000289934737 335067179 /nfs/dbraw/zinc/06/71/79/335067179.db2.gz TYTNLEPKENAKCI-QUCCMNQESA-N 1 0 309.409 2.877 20 10 DFCDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000293049073 543019272 /nfs/dbraw/zinc/01/92/72/543019272.db2.gz RIFFAKLBZYXQEB-HZMBPMFUSA-N 1 0 314.223 2.795 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc2ccccc2c1O ZINC000175423194 287033946 /nfs/dbraw/zinc/03/39/46/287033946.db2.gz LZVXUXLZJMQZAM-UKRRQHHQSA-N 1 0 300.402 2.527 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c(O)c1C ZINC000297381484 227092717 /nfs/dbraw/zinc/09/27/17/227092717.db2.gz RCKYRDFVGRNRJR-HZPDHXFCSA-N 1 0 306.450 2.506 20 10 DFCDRO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152769347 292625098 /nfs/dbraw/zinc/62/50/98/292625098.db2.gz IOEKZKITANTKSA-KGLIPLIRSA-N 1 0 310.413 2.738 20 10 DFCDRO CCCNC(=O)C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000042674919 425853437 /nfs/dbraw/zinc/85/34/37/425853437.db2.gz IRCLCRRNEIVASA-UHFFFAOYSA-N 1 0 304.434 2.747 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000159121667 425955234 /nfs/dbraw/zinc/95/52/34/425955234.db2.gz VQEPAAHKDQPVDQ-SFHVURJKSA-N 1 0 315.461 2.777 20 10 DFCDRO CC[C@@H](O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000076118452 426100399 /nfs/dbraw/zinc/10/03/99/426100399.db2.gz CZKGJTVSDUGLPK-GFCCVEGCSA-N 1 0 302.212 2.748 20 10 DFCDRO CCC[N@H+](CC(=O)N(C)Cc1ccco1)Cc1ccccc1O ZINC000114717519 426142531 /nfs/dbraw/zinc/14/25/31/426142531.db2.gz NZCQZKFCBNCCKN-UHFFFAOYSA-N 1 0 316.401 2.856 20 10 DFCDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000151044963 426274125 /nfs/dbraw/zinc/27/41/25/426274125.db2.gz RPVXSCMINBMXRJ-CQSZACIVSA-N 1 0 303.450 2.662 20 10 DFCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NCC(F)(F)F ZINC000174374961 426255487 /nfs/dbraw/zinc/25/54/87/426255487.db2.gz JDPYOZJPVQAMBT-LLVKDONJSA-N 1 0 318.339 2.671 20 10 DFCDRO CC[C@H]([NH2+]CC[C@@H](C)O)c1cc(Br)ccc1O ZINC000085981936 426255562 /nfs/dbraw/zinc/25/55/62/426255562.db2.gz NCWOTFGSODOGFL-SKDRFNHKSA-N 1 0 302.212 2.966 20 10 DFCDRO COc1ccc(O)c(C[NH2+]CCc2ccc(OC)c(OC)c2)c1 ZINC000146644641 426258629 /nfs/dbraw/zinc/25/86/29/426258629.db2.gz RECCBMCEIJQZRX-UHFFFAOYSA-N 1 0 317.385 2.750 20 10 DFCDRO CC[C@H]([NH2+]C[C@H](C)CO)c1cc(Br)ccc1O ZINC000086623137 426259722 /nfs/dbraw/zinc/25/97/22/426259722.db2.gz FYLGJASQQRIKTI-CABZTGNLSA-N 1 0 302.212 2.824 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000151386447 426292858 /nfs/dbraw/zinc/29/28/58/426292858.db2.gz USUPQVYFMPIJPX-YOEHRIQHSA-N 1 0 323.458 2.935 20 10 DFCDRO CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccc(N(C)C)cc1 ZINC000089636624 426300374 /nfs/dbraw/zinc/30/03/74/426300374.db2.gz IVROLALFKPNLAJ-CJNGLKHVSA-N 1 0 312.479 2.617 20 10 DFCDRO C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120554460 426312664 /nfs/dbraw/zinc/31/26/64/426312664.db2.gz ZZZVWGXKLOJPQC-ZNMIVQPWSA-N 1 0 303.450 2.630 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000175638010 426319670 /nfs/dbraw/zinc/31/96/70/426319670.db2.gz BDVINNVJYRBNTO-MRXNPFEDSA-N 1 0 317.364 2.805 20 10 DFCDRO CCOC[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175673633 426320533 /nfs/dbraw/zinc/32/05/33/426320533.db2.gz FPGREDBTPVYRNW-ZDUSSCGKSA-N 1 0 309.381 2.982 20 10 DFCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1Cl ZINC000121138859 426321778 /nfs/dbraw/zinc/32/17/78/426321778.db2.gz DODXCXXSQMHMTM-AWEZNQCLSA-N 1 0 321.804 2.917 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cncc(F)c1 ZINC000151071698 426276258 /nfs/dbraw/zinc/27/62/58/426276258.db2.gz LJLUQINFSQFUCW-CQSZACIVSA-N 1 0 315.392 2.908 20 10 DFCDRO Oc1cc2c(cc1CN1CCC[C@H]([NH+]3CCCCC3)C1)OCO2 ZINC000152538318 426345262 /nfs/dbraw/zinc/34/52/62/426345262.db2.gz PWMLGKQOSMXJGU-HNNXBMFYSA-N 1 0 318.417 2.571 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1O ZINC000092810803 426353543 /nfs/dbraw/zinc/35/35/43/426353543.db2.gz ZIMPLIUWHSRVKD-UHFFFAOYSA-N 1 0 301.390 2.894 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000152883256 426359619 /nfs/dbraw/zinc/35/96/19/426359619.db2.gz FQCZBFDCGKZNRK-KBXCAEBGSA-N 1 0 304.434 2.821 20 10 DFCDRO COc1cccc(C[N@@H+]2CCN(C)CC23CCCCC3)c1O ZINC000093872040 426360463 /nfs/dbraw/zinc/36/04/63/426360463.db2.gz PEZGWFMZQNAJIZ-UHFFFAOYSA-N 1 0 304.434 2.851 20 10 DFCDRO C[S@@](=O)C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000154724355 426453498 /nfs/dbraw/zinc/45/34/98/426453498.db2.gz VRYKYYWXPDYIPQ-JTSKRJEESA-N 1 0 315.438 2.831 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)Cc2cc(C(N)=O)cs2)cc1 ZINC000155185703 426465392 /nfs/dbraw/zinc/46/53/92/426465392.db2.gz YGGYGWGXTCEQOG-UHFFFAOYSA-N 1 0 303.431 2.545 20 10 DFCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280304294 426546512 /nfs/dbraw/zinc/54/65/12/426546512.db2.gz PBVJMKZYUQLSAO-LRDDRELGSA-N 1 0 311.809 2.734 20 10 DFCDRO CC[C@@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1ccc(C)cc1O ZINC000280065948 426503182 /nfs/dbraw/zinc/50/31/82/426503182.db2.gz KSGSCJHRZGMGFF-MRXNPFEDSA-N 1 0 300.402 2.949 20 10 DFCDRO CC[C@H]([NH2+]C1CCN(CCOC)CC1)c1ccc(C)cc1O ZINC000280142338 426505917 /nfs/dbraw/zinc/50/59/17/426505917.db2.gz PSNKEACXLZSTNV-KRWDZBQOSA-N 1 0 306.450 2.852 20 10 DFCDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC2(CCOCC2)O1 ZINC000280449010 426578138 /nfs/dbraw/zinc/57/81/38/426578138.db2.gz LELGJFOUJRCTOM-LBPRGKRZSA-N 1 0 311.809 2.816 20 10 DFCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1c(O)cccc1Cl)C[C@@H](C)O2 ZINC000280450441 426579513 /nfs/dbraw/zinc/57/95/13/426579513.db2.gz LFIJVOXVWHCBHU-BFQNTYOBSA-N 1 0 311.809 2.814 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)cc1 ZINC000280557919 426599842 /nfs/dbraw/zinc/59/98/42/426599842.db2.gz QZSJALLPGAWBLF-GOSISDBHSA-N 1 0 311.429 2.801 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1O ZINC000280356653 426559065 /nfs/dbraw/zinc/55/90/65/426559065.db2.gz CHHPJEKVUFABAH-GFCCVEGCSA-N 1 0 314.223 2.666 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C2CCN(C3CC3)CC2)c1O ZINC000228670264 426634721 /nfs/dbraw/zinc/63/47/21/426634721.db2.gz VZNCIRRPWQRQTR-UHFFFAOYSA-N 1 0 310.825 2.771 20 10 DFCDRO CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273444781 426665347 /nfs/dbraw/zinc/66/53/47/426665347.db2.gz ZRSMSIWUHHKJOL-CYBMUJFWSA-N 1 0 308.422 2.561 20 10 DFCDRO CCOC(=O)C[C@](C)([NH2+]Cc1cc(OC)ccc1O)C(C)C ZINC000187705863 426687246 /nfs/dbraw/zinc/68/72/46/426687246.db2.gz GDXQZOHXQGSZLO-KRWDZBQOSA-N 1 0 309.406 2.858 20 10 DFCDRO COCCOCc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000289746043 426672661 /nfs/dbraw/zinc/67/26/61/426672661.db2.gz NPTPCKHZNNBHJR-UHFFFAOYSA-N 1 0 301.386 2.845 20 10 DFCDRO CCOc1ccc(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000289737830 426673556 /nfs/dbraw/zinc/67/35/56/426673556.db2.gz PZYWPHRVYBKWDK-GDBMZVCRSA-N 1 0 304.434 2.850 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000289946224 426676966 /nfs/dbraw/zinc/67/69/66/426676966.db2.gz UPHAHJKMSSZYMX-KRWDZBQOSA-N 1 0 308.397 2.563 20 10 DFCDRO COc1cccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1O ZINC000227601999 426628722 /nfs/dbraw/zinc/62/87/22/426628722.db2.gz VTRIJEFARZSMBV-UHFFFAOYSA-N 1 0 324.421 2.794 20 10 DFCDRO CN(C)[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1cccs1 ZINC000237027816 426688695 /nfs/dbraw/zinc/68/86/95/426688695.db2.gz CWHPPLDZDIVPQE-GFCCVEGCSA-N 1 0 320.414 2.575 20 10 DFCDRO COc1cc(O)c(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000281136935 426703114 /nfs/dbraw/zinc/70/31/14/426703114.db2.gz DKOOVDSRDLKOAP-RYUDHWBXSA-N 1 0 309.406 2.703 20 10 DFCDRO CCOCc1nc([C@@H](C)N[C@H](C)c2ccc(F)cc2O)no1 ZINC000290157446 426705281 /nfs/dbraw/zinc/70/52/81/426705281.db2.gz LSCOQYIAMACXNT-NXEZZACHSA-N 1 0 309.341 2.863 20 10 DFCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Cl)ccc1O ZINC000281283298 426708980 /nfs/dbraw/zinc/70/89/80/426708980.db2.gz XOWRNMBCNMXBIT-SNVBAGLBSA-N 1 0 317.838 2.664 20 10 DFCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1cc(F)ccc1O ZINC000290205307 426716526 /nfs/dbraw/zinc/71/65/26/426716526.db2.gz GXFPWOFVEHNEBG-IXBGWNDUSA-N 1 0 303.333 2.677 20 10 DFCDRO COc1cc(O)c(C[N@H+](Cc2ccccn2)C2CC2)cc1OC ZINC000290301535 426735782 /nfs/dbraw/zinc/73/57/82/426735782.db2.gz BJWZRGWGAFSPDG-UHFFFAOYSA-N 1 0 314.385 2.969 20 10 DFCDRO COc1ccc(N2CCC[N@@H+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000245625880 426757466 /nfs/dbraw/zinc/75/74/66/426757466.db2.gz OYZRDNLZJNITOJ-ZWKOTPCHSA-N 1 0 304.434 2.511 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245696105 426764254 /nfs/dbraw/zinc/76/42/54/426764254.db2.gz CGFABKXOSLAWDW-HKUYNNGSSA-N 1 0 316.445 2.524 20 10 DFCDRO Oc1ccccc1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000179571509 426801112 /nfs/dbraw/zinc/80/11/12/426801112.db2.gz MGUFBXFEOANQFU-UHFFFAOYSA-N 1 0 309.369 2.856 20 10 DFCDRO CCCCNC(=O)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000179699197 426812090 /nfs/dbraw/zinc/81/20/90/426812090.db2.gz FHMIHAMWHUUOHD-UHFFFAOYSA-N 1 0 304.434 2.829 20 10 DFCDRO CC1(O)CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000179721529 426813533 /nfs/dbraw/zinc/81/35/33/426813533.db2.gz DHJQPUNFKZRUMM-UHFFFAOYSA-N 1 0 300.196 2.502 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c1 ZINC000290799904 426841036 /nfs/dbraw/zinc/84/10/36/426841036.db2.gz FFCVLFXEJRYZCK-OAHLLOKOSA-N 1 0 301.390 2.743 20 10 DFCDRO OC[C@@]1([NH2+]Cc2cc(F)ccc2O)CCCc2ccccc21 ZINC000282475327 426915348 /nfs/dbraw/zinc/91/53/48/426915348.db2.gz WQDRVMPDZXMYAO-SFHVURJKSA-N 1 0 301.361 2.845 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]CC2([S@](C)=O)CC2)cc1F ZINC000282482108 426915784 /nfs/dbraw/zinc/91/57/84/426915784.db2.gz VLZVTPIWWBREAE-NRFANRHFSA-N 1 0 312.454 2.673 20 10 DFCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000291337639 426882573 /nfs/dbraw/zinc/88/25/73/426882573.db2.gz UVKHASCCLXWWBW-CQSZACIVSA-N 1 0 307.438 2.654 20 10 DFCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000282860824 426930333 /nfs/dbraw/zinc/93/03/33/426930333.db2.gz UPIRGKFMRKGHMM-STQMWFEESA-N 1 0 323.868 2.930 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)c1 ZINC000248866956 427056331 /nfs/dbraw/zinc/05/63/31/427056331.db2.gz TWEJGVJLGHGYTD-MJEQTWJJSA-N 1 0 319.401 2.564 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(N(C)C)cc1 ZINC000283446562 427015469 /nfs/dbraw/zinc/01/54/69/427015469.db2.gz UHYSGCCCZHXIPK-XJKSGUPXSA-N 1 0 301.434 2.605 20 10 DFCDRO Cc1c(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cnn1C ZINC000268916472 427137870 /nfs/dbraw/zinc/13/78/70/427137870.db2.gz QHFFDTFHRFDJLI-QGZVFWFLSA-N 1 0 315.417 2.615 20 10 DFCDRO COCC[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268910121 427138153 /nfs/dbraw/zinc/13/81/53/427138153.db2.gz YQGHAULHCIBASI-SOUVJXGZSA-N 1 0 324.440 2.954 20 10 DFCDRO CC(C)[C@H](C(=O)N(C)Cc1ccccc1O)[NH+]1CCCCC1 ZINC000269147221 427149412 /nfs/dbraw/zinc/14/94/12/427149412.db2.gz MYBJIZFPTATVGN-QGZVFWFLSA-N 1 0 304.434 2.861 20 10 DFCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(N2CCOCC2)cc1 ZINC000250115519 427155862 /nfs/dbraw/zinc/15/58/62/427155862.db2.gz UHQHRGCIUYIPTA-FZDIXFNVSA-N 1 0 316.445 2.741 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c1O ZINC000292855150 427200623 /nfs/dbraw/zinc/20/06/23/427200623.db2.gz URJSPNFEVBSOBQ-GWCFXTLKSA-N 1 0 314.223 2.808 20 10 DFCDRO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183519582 427283900 /nfs/dbraw/zinc/28/39/00/427283900.db2.gz WRULNFFDCJIWOS-KZULUSFZSA-N 1 0 317.385 2.794 20 10 DFCDRO C[C@H](c1ccccc1O)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296647448 427226810 /nfs/dbraw/zinc/22/68/10/427226810.db2.gz YOKDDRNHMDYVJL-QLFBSQMISA-N 1 0 310.397 2.734 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000183241359 427233288 /nfs/dbraw/zinc/23/32/88/427233288.db2.gz YBBIEHVQVQPFNF-INIZCTEOSA-N 1 0 304.434 2.728 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000183338309 427249988 /nfs/dbraw/zinc/24/99/88/427249988.db2.gz WBUQMOIQQKCWDQ-ZBFHGGJFSA-N 1 0 322.424 2.882 20 10 DFCDRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000183394048 427259453 /nfs/dbraw/zinc/25/94/53/427259453.db2.gz XMQIHJGFDMYIFM-KFWWJZLASA-N 1 0 306.450 2.931 20 10 DFCDRO CN(C)c1ccc(C[N@H+](Cc2cnc3cnccn23)C2CC2)cc1 ZINC000271029099 427379761 /nfs/dbraw/zinc/37/97/61/427379761.db2.gz BRNLEMXGHARHIH-UHFFFAOYSA-N 1 0 321.428 2.960 20 10 DFCDRO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271046152 427386376 /nfs/dbraw/zinc/38/63/76/427386376.db2.gz QZBCGLDINIFYAW-KRWDZBQOSA-N 1 0 310.397 2.899 20 10 DFCDRO Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC000278057219 427394477 /nfs/dbraw/zinc/39/44/77/427394477.db2.gz YMMJJAFXECHSNC-INIZCTEOSA-N 1 0 306.450 2.600 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278131099 427414305 /nfs/dbraw/zinc/41/43/05/427414305.db2.gz CFGLDQPNGJKEDF-JSGCOSHPSA-N 1 0 303.324 2.836 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1 ZINC000270472661 427359122 /nfs/dbraw/zinc/35/91/22/427359122.db2.gz HXQNBKIFNOZYPP-AWEZNQCLSA-N 1 0 304.356 2.936 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c(O)c1 ZINC000270490781 427361932 /nfs/dbraw/zinc/36/19/32/427361932.db2.gz LDHDSNDJWRGXHG-ZDUSSCGKSA-N 1 0 307.312 2.584 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@H](CC)[C@@H](O)C(F)(F)F)c(O)c1 ZINC000270773238 427366097 /nfs/dbraw/zinc/36/60/97/427366097.db2.gz ARVNJDYZNOEBDH-TZMCWYRMSA-N 1 0 321.339 2.972 20 10 DFCDRO CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000278806003 427461913 /nfs/dbraw/zinc/46/19/13/427461913.db2.gz NENMRTLOOGCHJP-BZSNNMDCSA-N 1 0 306.450 2.987 20 10 DFCDRO CCC[N@H+](Cc1cnc(N(C)C)nc1)Cc1ccccc1O ZINC000271183411 427436991 /nfs/dbraw/zinc/43/69/91/427436991.db2.gz IMAWSMMCERNMHS-UHFFFAOYSA-N 1 0 300.406 2.660 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c(O)c1 ZINC000278426944 427440116 /nfs/dbraw/zinc/44/01/16/427440116.db2.gz JBZDEJNFKZYZNB-GJZGRUSLSA-N 1 0 314.433 2.754 20 10 DFCDRO COc1c([O-])c(C[NH2+]CC[C@H]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278538215 427441277 /nfs/dbraw/zinc/44/12/77/427441277.db2.gz WRRGGODBQJSLAC-NEPJUHHUSA-N 1 0 324.377 2.604 20 10 DFCDRO OCC[C@@]1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOC1 ZINC000278507234 427442947 /nfs/dbraw/zinc/44/29/47/427442947.db2.gz PAOFWPZAAGCYTQ-LJQANCHMSA-N 1 0 313.397 2.690 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000278538758 427443868 /nfs/dbraw/zinc/44/38/68/427443868.db2.gz SUEVITQHEKFKKC-HUUCEWRRSA-N 1 0 306.475 2.927 20 10 DFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000278673346 427445531 /nfs/dbraw/zinc/44/55/31/427445531.db2.gz OIZIOGTZALTSKK-MOPGFXCFSA-N 1 0 318.461 2.961 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000294010132 427522208 /nfs/dbraw/zinc/52/22/08/427522208.db2.gz MVIZXPDFNPDBQI-QZTJIDSGSA-N 1 0 303.402 2.934 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184914316 427564668 /nfs/dbraw/zinc/56/46/68/427564668.db2.gz BOUKXHXHZDSNHY-OAGGEKHMSA-N 1 0 306.450 2.851 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c(O)c1 ZINC000184915721 427564788 /nfs/dbraw/zinc/56/47/88/427564788.db2.gz UHHPVVSSJPVAIB-DOTOQJQBSA-N 1 0 306.450 2.708 20 10 DFCDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000279128886 427567870 /nfs/dbraw/zinc/56/78/70/427567870.db2.gz QTXFKDWOOYGKAH-ZJUUUORDSA-N 1 0 302.212 2.966 20 10 DFCDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2O)C1 ZINC000263784542 427570234 /nfs/dbraw/zinc/57/02/34/427570234.db2.gz WXNPFSAJIHWTPY-AWEZNQCLSA-N 1 0 319.449 2.702 20 10 DFCDRO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccccc1O ZINC000271699029 427579969 /nfs/dbraw/zinc/57/99/69/427579969.db2.gz SZHAUSOSYSEKAL-ZDUSSCGKSA-N 1 0 324.380 2.729 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]CCC[C@@H](C)CO)c1O ZINC000271802924 427585198 /nfs/dbraw/zinc/58/51/98/427585198.db2.gz JDOBTGVDCUCNSF-SNVBAGLBSA-N 1 0 316.239 2.961 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCc3c2cccc3O)cc1OC ZINC000271900579 427592085 /nfs/dbraw/zinc/59/20/85/427592085.db2.gz VNSQFJZABKHOLD-CQSZACIVSA-N 1 0 315.369 2.892 20 10 DFCDRO CC[C@@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccccc1O ZINC000294775924 427656780 /nfs/dbraw/zinc/65/67/80/427656780.db2.gz KRRSTYOMPWKBIJ-MRXNPFEDSA-N 1 0 323.433 2.645 20 10 DFCDRO O=C(NCCCCC[NH+]1CCCCC1)c1c(F)ccc(O)c1O ZINC000294811378 427659582 /nfs/dbraw/zinc/65/95/82/427659582.db2.gz FWQHOJHFYVWTSF-UHFFFAOYSA-N 1 0 324.396 2.623 20 10 DFCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000295024040 427669789 /nfs/dbraw/zinc/66/97/89/427669789.db2.gz KZENOIGPWRMTFN-LRDDRELGSA-N 1 0 308.422 2.554 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000295000102 427670370 /nfs/dbraw/zinc/67/03/70/427670370.db2.gz LFVZQGMFHXOHHN-CRAIPNDOSA-N 1 0 314.385 2.806 20 10 DFCDRO CN(C)c1ccc(C[N@H+](CC(=O)NC(C)(C)C)C2CC2)cc1 ZINC000298685314 427676678 /nfs/dbraw/zinc/67/66/78/427676678.db2.gz BGSKCBFXARRKMG-UHFFFAOYSA-N 1 0 303.450 2.632 20 10 DFCDRO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185682619 427691678 /nfs/dbraw/zinc/69/16/78/427691678.db2.gz WZDHUFHMTJAVJO-RISCZKNCSA-N 1 0 316.405 2.740 20 10 DFCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1c(O)ccc3ccccc31)CCO2 ZINC000279656549 427716142 /nfs/dbraw/zinc/71/61/42/427716142.db2.gz LGCPKLOFZXHBOM-LIRRHRJNSA-N 1 0 313.397 2.925 20 10 DFCDRO Cc1cccc(CN2CCO[C@@H](c3nnc(C(C)C)o3)C2)c1O ZINC000279736053 427718502 /nfs/dbraw/zinc/71/85/02/427718502.db2.gz WOFWLPSEFIHOQF-CQSZACIVSA-N 1 0 317.389 2.781 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000299174197 427758717 /nfs/dbraw/zinc/75/87/17/427758717.db2.gz VHVGYZAKGOWUFS-KRWDZBQOSA-N 1 0 316.420 2.833 20 10 DFCDRO CC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(C)cc1O ZINC000280007375 427727381 /nfs/dbraw/zinc/72/73/81/427727381.db2.gz GLPQWZOSDXIADW-QGZVFWFLSA-N 1 0 306.450 2.588 20 10 DFCDRO CC[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[NH+](CC)CC ZINC000359848637 428043111 /nfs/dbraw/zinc/04/31/11/428043111.db2.gz CHUPMHKAJAEFCI-OAHLLOKOSA-N 1 0 319.449 2.598 20 10 DFCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C2 ZINC000360256411 428224762 /nfs/dbraw/zinc/22/47/62/428224762.db2.gz ZKFSSSGIHBOYRF-CQSZACIVSA-N 1 0 303.793 2.791 20 10 DFCDRO CCOC(=O)CCC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000360186748 428196021 /nfs/dbraw/zinc/19/60/21/428196021.db2.gz HISSDVZMKBSUOK-UHFFFAOYSA-N 1 0 320.433 2.551 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c(O)c1 ZINC000370705232 428279292 /nfs/dbraw/zinc/27/92/92/428279292.db2.gz FNXMZBKFCOTSPG-CQSZACIVSA-N 1 0 316.405 2.679 20 10 DFCDRO Oc1ccc(Cl)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371402923 428388962 /nfs/dbraw/zinc/38/89/62/428388962.db2.gz FPYIURFMEWVYFC-BMFZPTHFSA-N 1 0 306.837 2.962 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000371423262 428389644 /nfs/dbraw/zinc/38/96/44/428389644.db2.gz BWJMWTFPQSOUNE-OAHLLOKOSA-N 1 0 301.390 2.652 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000360671938 428392181 /nfs/dbraw/zinc/39/21/81/428392181.db2.gz MKBVEBYGFOEOGD-QGZVFWFLSA-N 1 0 305.324 2.764 20 10 DFCDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(Cl)ccc1O ZINC000371471471 428393194 /nfs/dbraw/zinc/39/31/94/428393194.db2.gz UQKOMSYHSRIHRD-VYDXJSESSA-N 1 0 324.852 2.729 20 10 DFCDRO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccccc3O)C2)nn1 ZINC000371674095 428400730 /nfs/dbraw/zinc/40/07/30/428400730.db2.gz DFRXFMUSWZQUQL-GJZGRUSLSA-N 1 0 312.417 2.810 20 10 DFCDRO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000371248123 428380450 /nfs/dbraw/zinc/38/04/50/428380450.db2.gz UJHBZAZGKATLBW-UGFHNGPFSA-N 1 0 322.836 2.782 20 10 DFCDRO CCN(CC)c1ccc(CN2CC[S@@](=O)CC[C@H]2C)cc1 ZINC000373038781 428515905 /nfs/dbraw/zinc/51/59/05/428515905.db2.gz WQEQJIMCUUUJKF-VFNWGFHPSA-N 1 0 308.491 2.876 20 10 DFCDRO O=C(NC1CC[NH+](Cc2cc(F)ccc2O)CC1)c1ccoc1 ZINC000373111704 428516950 /nfs/dbraw/zinc/51/69/50/428516950.db2.gz HYHWGACFWFQWNM-UHFFFAOYSA-N 1 0 318.348 2.519 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1cc(Cl)ccc1O ZINC000373252471 428528555 /nfs/dbraw/zinc/52/85/55/428528555.db2.gz NMXXPNFDLGWOMH-YUTCNCBUSA-N 1 0 310.825 2.559 20 10 DFCDRO [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362036122 428612137 /nfs/dbraw/zinc/61/21/37/428612137.db2.gz FKGLJJZWJROCQN-IIAWOOMASA-N 1 0 306.837 2.962 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c1 ZINC000362043236 428613808 /nfs/dbraw/zinc/61/38/08/428613808.db2.gz DRZZKMLQRJZWNJ-MRXNPFEDSA-N 1 0 301.390 2.780 20 10 DFCDRO COc1cccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1O ZINC000291807575 274146504 /nfs/dbraw/zinc/14/65/04/274146504.db2.gz XUVZJRBCBPJOHQ-AWEZNQCLSA-N 1 0 316.376 2.908 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)c1O ZINC000362385760 428725992 /nfs/dbraw/zinc/72/59/92/428725992.db2.gz HFHSDSGDDSDDFE-AWEZNQCLSA-N 1 0 317.389 2.862 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(N(C)C)cc1 ZINC000374525997 428693236 /nfs/dbraw/zinc/69/32/36/428693236.db2.gz DIMCVSSKDADOFR-YXJHDRRASA-N 1 0 304.434 2.741 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)cc1 ZINC000374808908 428755173 /nfs/dbraw/zinc/75/51/73/428755173.db2.gz OQTSIEDQUIPXGC-PBHICJAKSA-N 1 0 315.461 2.995 20 10 DFCDRO Cc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000363854601 429000268 /nfs/dbraw/zinc/00/02/68/429000268.db2.gz MIGAJUTWIHJJEK-JSGCOSHPSA-N 1 0 300.406 2.575 20 10 DFCDRO O=C(c1cn[nH]c1[C@@H]1CCC[NH2+]C1)N1CC2(CC2)c2ccccc21 ZINC000423205374 429054529 /nfs/dbraw/zinc/05/45/29/429054529.db2.gz PKFXXTANETVMEG-CYBMUJFWSA-N 1 0 322.412 2.569 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000364762021 429263744 /nfs/dbraw/zinc/26/37/44/429263744.db2.gz XFPLCGRQLZINER-MRXNPFEDSA-N 1 0 317.433 2.723 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCc2nnc(N(C)C)cc2C1 ZINC000366692399 429496546 /nfs/dbraw/zinc/49/65/46/429496546.db2.gz SAERKPGBASUODB-INIZCTEOSA-N 1 0 312.417 2.758 20 10 DFCDRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1O ZINC000366724799 429500657 /nfs/dbraw/zinc/50/06/57/429500657.db2.gz FPLFMEBDEZNMJN-WBVHZDCISA-N 1 0 316.445 2.971 20 10 DFCDRO Cc1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000366775899 429512484 /nfs/dbraw/zinc/51/24/84/429512484.db2.gz YWTMIVVCHXNRTK-VKJFTORMSA-N 1 0 305.418 2.859 20 10 DFCDRO Cc1ccncc1/C=C\C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000492543833 429562982 /nfs/dbraw/zinc/56/29/82/429562982.db2.gz YAKMSMPOZVDQGJ-KTKRTIGZSA-N 1 0 309.413 2.998 20 10 DFCDRO COC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cc(OC)ccc2O)CC1(C)C ZINC000367315966 429618538 /nfs/dbraw/zinc/61/85/38/429618538.db2.gz BMRUKHLRXMMLEO-SMDDNHRTSA-N 1 0 307.390 2.593 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC3CCC2CC3)cc1 ZINC000367395569 429640410 /nfs/dbraw/zinc/64/04/10/429640410.db2.gz CGVOERCUOJBFDX-UHFFFAOYSA-N 1 0 315.461 2.585 20 10 DFCDRO Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000367423621 429644522 /nfs/dbraw/zinc/64/45/22/429644522.db2.gz VUEITQNNJRBXQS-DNVCBOLYSA-N 1 0 313.397 2.973 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c(O)c1C ZINC000367439163 429648550 /nfs/dbraw/zinc/64/85/50/429648550.db2.gz RXDCPNRGPWCYII-YLQAJVPDSA-N 1 0 302.418 2.717 20 10 DFCDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccccc2O)[C@H]1c1cccs1 ZINC000367546156 429669547 /nfs/dbraw/zinc/66/95/47/429669547.db2.gz DBQPSJYXQJBQEX-DYVFJYSZSA-N 1 0 316.426 2.905 20 10 DFCDRO CCOc1ccc(C[NH2+]C[C@H]2CCN2C2CCCC2)c(O)c1 ZINC000527804751 429801282 /nfs/dbraw/zinc/80/12/82/429801282.db2.gz BARIRJXMSIBWFJ-MRXNPFEDSA-N 1 0 304.434 2.897 20 10 DFCDRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000527804081 429802279 /nfs/dbraw/zinc/80/22/79/429802279.db2.gz BDZDJOPJPBZKKO-QGZVFWFLSA-N 1 0 308.381 2.538 20 10 DFCDRO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc2ccccc2c1O ZINC000527958324 429828159 /nfs/dbraw/zinc/82/81/59/429828159.db2.gz VARRNZPSRDKLMB-VUCTXSBTSA-N 1 0 301.386 2.736 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc(Cl)ccc1O ZINC000368331492 429831780 /nfs/dbraw/zinc/83/17/80/429831780.db2.gz JYISWNFWSIHGQV-JCRCQARHSA-N 1 0 308.809 2.706 20 10 DFCDRO O=C(NCc1ccccc1O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000528147248 429854085 /nfs/dbraw/zinc/85/40/85/429854085.db2.gz DGGFQFWIOKKZBZ-INIZCTEOSA-N 1 0 317.433 2.598 20 10 DFCDRO COCC[C@H]1CCCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000368679349 429886673 /nfs/dbraw/zinc/88/66/73/429886673.db2.gz YGSGTOLJCRICEK-CYBMUJFWSA-N 1 0 307.390 2.760 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000368587980 429873021 /nfs/dbraw/zinc/87/30/21/429873021.db2.gz FGXUCMNPFYDNLY-CYBMUJFWSA-N 1 0 301.390 2.514 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c1 ZINC000529640349 430045691 /nfs/dbraw/zinc/04/56/91/430045691.db2.gz LKCZPKJSSPXJRB-INIZCTEOSA-N 1 0 304.434 2.897 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCN2C2CCCCC2)c1 ZINC000529640350 430045831 /nfs/dbraw/zinc/04/58/31/430045831.db2.gz LKCZPKJSSPXJRB-MRXNPFEDSA-N 1 0 304.434 2.897 20 10 DFCDRO COc1ccc(CC[NH2+]Cc2cc(Cl)cc(OC)c2O)cn1 ZINC000529663693 430047174 /nfs/dbraw/zinc/04/71/74/430047174.db2.gz ZMYOWVRNFWIRFE-UHFFFAOYSA-N 1 0 322.792 2.790 20 10 DFCDRO CCOCc1cc(CN[C@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530179796 430101359 /nfs/dbraw/zinc/10/13/59/430101359.db2.gz XQAYKTVTAIDORY-KRWDZBQOSA-N 1 0 304.434 2.606 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+]C[C@@H]2C(C)C)c1O ZINC000530229489 430105411 /nfs/dbraw/zinc/10/54/11/430105411.db2.gz HIFUXGHSDNYFFJ-OAHLLOKOSA-N 1 0 310.825 2.678 20 10 DFCDRO CN(C)c1ccc(C[NH2+]CCc2cn[nH]c2)c(C(F)(F)F)c1 ZINC000289839606 276883427 /nfs/dbraw/zinc/88/34/27/276883427.db2.gz NCVIDDAIWKUQQT-UHFFFAOYSA-N 1 0 312.339 2.827 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1O ZINC000529675799 430050417 /nfs/dbraw/zinc/05/04/17/430050417.db2.gz JMHWADBGEPCPKX-CKNLXJGOSA-N 1 0 313.850 2.839 20 10 DFCDRO COCC[C@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000291375054 277241604 /nfs/dbraw/zinc/24/16/04/277241604.db2.gz ZROIMMONOVOASH-IBGZPJMESA-N 1 0 318.461 2.914 20 10 DFCDRO COc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2CO)c1O ZINC000365164730 278013373 /nfs/dbraw/zinc/01/33/73/278013373.db2.gz RVFSMXBHLLVTEE-MAUKXSAKSA-N 1 0 313.397 2.786 20 10 DFCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(N(C)C)cc1 ZINC000285609403 289947140 /nfs/dbraw/zinc/94/71/40/289947140.db2.gz JAXSTYQNMIOGLF-AWEZNQCLSA-N 1 0 324.490 2.761 20 10 DFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)CO)c1O ZINC000187052268 301070352 /nfs/dbraw/zinc/07/03/52/301070352.db2.gz RZJCXJSGTLKVQT-WPRPVWTQSA-N 1 0 302.212 2.742 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000156381037 332789833 /nfs/dbraw/zinc/78/98/33/332789833.db2.gz FNCBRTLKZHASCY-CRAIPNDOSA-N 1 0 304.434 2.743 20 10 DFCDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2c(O)ccc3ccccc32)CC1=O ZINC000363415899 331901965 /nfs/dbraw/zinc/90/19/65/331901965.db2.gz YUXQAOXKLXTYFY-IFIJOSMWSA-N 1 0 310.397 2.644 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1 ZINC000293773967 335113498 /nfs/dbraw/zinc/11/34/98/335113498.db2.gz YUVVECXWDBFWJR-QGZVFWFLSA-N 1 0 316.401 2.645 20 10 DFCDRO C[C@H]([NH3+])[C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000182847508 333048244 /nfs/dbraw/zinc/04/82/44/333048244.db2.gz LJXSOHVOAQKHTG-GJZGRUSLSA-N 1 0 303.450 2.619 20 10 DFCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000294766854 335127298 /nfs/dbraw/zinc/12/72/98/335127298.db2.gz YVYZOHSQQQXIAV-ZBFHGGJFSA-N 1 0 304.434 2.692 20 10 DFCDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000185190052 333205149 /nfs/dbraw/zinc/20/51/49/333205149.db2.gz UCNZYXMKJHNQKY-DZGCQCFKSA-N 1 0 307.390 2.804 20 10 DFCDRO O=C1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1c1ccccc1 ZINC000295799709 335138153 /nfs/dbraw/zinc/13/81/53/335138153.db2.gz CAKRBEKQEIQPCK-ZBFHGGJFSA-N 1 0 308.381 2.775 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](O)C(C)(C)C3)cc2)CC1 ZINC000295863072 335140110 /nfs/dbraw/zinc/14/01/10/335140110.db2.gz CBPRFCOOTOHGEW-SFHVURJKSA-N 1 0 318.461 2.505 20 10 DFCDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000296256962 335142817 /nfs/dbraw/zinc/14/28/17/335142817.db2.gz DCXVLQYSPKPFMQ-RDTXWAMCSA-N 1 0 320.502 2.736 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1O ZINC000296369726 335143938 /nfs/dbraw/zinc/14/39/38/335143938.db2.gz SOAQTZBSQJVJTK-QFBILLFUSA-N 1 0 318.461 2.505 20 10 DFCDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(Br)cc1O ZINC000296579431 335146617 /nfs/dbraw/zinc/14/66/17/335146617.db2.gz UEPIPIWLBKTKQA-UMNHJUIQSA-N 1 0 314.223 2.966 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(C)cc1O ZINC000297305382 335152892 /nfs/dbraw/zinc/15/28/92/335152892.db2.gz MOUFCOGMIGWWEI-DOTOQJQBSA-N 1 0 306.450 2.588 20 10 DFCDRO C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC000267114130 333979417 /nfs/dbraw/zinc/97/94/17/333979417.db2.gz OAWQZEGGEGISOD-OAHLLOKOSA-N 1 0 302.418 2.521 20 10 DFCDRO Oc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000271368689 334021747 /nfs/dbraw/zinc/02/17/47/334021747.db2.gz OWJKWPMGQMGULG-BBRMVZONSA-N 1 0 305.324 2.978 20 10 DFCDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1O ZINC000273463344 334047331 /nfs/dbraw/zinc/04/73/31/334047331.db2.gz INLLQLHYZPNNTC-IAQYHMDHSA-N 1 0 307.340 2.925 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(CO)CC2)c(C(F)(F)F)c1 ZINC000279654359 334110886 /nfs/dbraw/zinc/11/08/86/334110886.db2.gz NBANCCPDQOJIAR-UHFFFAOYSA-N 1 0 316.367 2.976 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(C)cc1O ZINC000280193670 334114917 /nfs/dbraw/zinc/11/49/17/334114917.db2.gz SJUNNHAUBMDKNQ-WBVHZDCISA-N 1 0 306.450 2.588 20 10 DFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C(=O)NCCF ZINC000282835875 334137465 /nfs/dbraw/zinc/13/74/65/334137465.db2.gz SLTZDURWIJXEML-HUUCEWRRSA-N 1 0 321.440 2.802 20 10 DFCDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000290217990 334171551 /nfs/dbraw/zinc/17/15/51/334171551.db2.gz QOFIBSWZUQFGAO-OWQGQXMQSA-N 1 0 322.424 2.880 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000352110155 336195263 /nfs/dbraw/zinc/19/52/63/336195263.db2.gz AETQEDSJNVMUNJ-QGZVFWFLSA-N 1 0 301.434 2.689 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(C)cc1O ZINC000367258995 336581608 /nfs/dbraw/zinc/58/16/08/336581608.db2.gz GBEKHCYOJKZTBU-GOEBONIOSA-N 1 0 302.418 2.943 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000367373614 336733344 /nfs/dbraw/zinc/73/33/44/336733344.db2.gz XNLDAZNZLLERIP-HNNXBMFYSA-N 1 0 302.418 2.788 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000369890985 336873739 /nfs/dbraw/zinc/87/37/39/336873739.db2.gz ZMGQUYWLADINFZ-MRXNPFEDSA-N 1 0 300.406 2.847 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000371515297 336906883 /nfs/dbraw/zinc/90/68/83/336906883.db2.gz VCLGFSOLQCAIQR-HOCLYGCPSA-N 1 0 311.809 2.782 20 10 DFCDRO Cc1noc(C2(C)CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC000374730417 336995989 /nfs/dbraw/zinc/99/59/89/336995989.db2.gz ANXRMKJMYHDWFO-UHFFFAOYSA-N 1 0 301.390 2.946 20 10 DFCDRO O=C([C@H]1CC12CC[NH+](Cc1ccccc1O)CC2)N1CCCC1 ZINC000374810352 336997449 /nfs/dbraw/zinc/99/74/49/336997449.db2.gz VURWJSBWDYWCQP-MRXNPFEDSA-N 1 0 314.429 2.617 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375304198 337007685 /nfs/dbraw/zinc/00/76/85/337007685.db2.gz RMGYLQSYKIRHLA-IBGZPJMESA-N 1 0 316.445 2.526 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375322239 337008050 /nfs/dbraw/zinc/00/80/50/337008050.db2.gz SBPJFJAHIFEBCR-RBUKOAKNSA-N 1 0 316.445 2.667 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000375671325 337016139 /nfs/dbraw/zinc/01/61/39/337016139.db2.gz HJEDSEZPACEPJA-OAHLLOKOSA-N 1 0 321.808 2.714 20 10 DFCDRO CC[C@H](C)[C@@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305163436 337016742 /nfs/dbraw/zinc/01/67/42/337016742.db2.gz XQPKHTGTTUVKFH-KSSFIOAISA-N 1 0 306.450 2.661 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000375971998 337024476 /nfs/dbraw/zinc/02/44/76/337024476.db2.gz CTIWZLPRUTUMJV-GDBMZVCRSA-N 1 0 300.406 2.847 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1C ZINC000376002898 337025011 /nfs/dbraw/zinc/02/50/11/337025011.db2.gz GINRYYORAYCEFB-WBVHZDCISA-N 1 0 316.445 2.890 20 10 DFCDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000376016004 337025202 /nfs/dbraw/zinc/02/52/02/337025202.db2.gz UZMBGVMZOKKVBO-IBGZPJMESA-N 1 0 318.461 2.914 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCn3ccnc3C2)c(O)c1 ZINC000376109988 337027278 /nfs/dbraw/zinc/02/72/78/337027278.db2.gz FTTYGCQCJWNUBZ-AWEZNQCLSA-N 1 0 315.417 2.730 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1O ZINC000376147094 337028349 /nfs/dbraw/zinc/02/83/49/337028349.db2.gz YQPVYKGBSIEYHG-CABCVRRESA-N 1 0 317.433 2.723 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccncn3)C2)c(O)c1 ZINC000376310084 337031156 /nfs/dbraw/zinc/03/11/56/337031156.db2.gz XPCWPOLFCFIYJQ-LSDHHAIUSA-N 1 0 312.417 2.810 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@]2(CCCOC2)O1 ZINC000376440035 337033511 /nfs/dbraw/zinc/03/35/11/337033511.db2.gz DPQUBKKLMGIPPJ-QAPCUYQASA-N 1 0 321.417 2.561 20 10 DFCDRO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1cc(F)ccc1O)CCC2 ZINC000376613775 337038048 /nfs/dbraw/zinc/03/80/48/337038048.db2.gz AANNUIHMHLWCKB-HNNXBMFYSA-N 1 0 319.380 2.541 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCCC[C@H]3O)CC2)cc1 ZINC000376786509 337041067 /nfs/dbraw/zinc/04/10/67/337041067.db2.gz FWBXKKDULUQSFW-RTBURBONSA-N 1 0 318.461 2.947 20 10 DFCDRO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000377384474 337051472 /nfs/dbraw/zinc/05/14/72/337051472.db2.gz WVZDBRMHIRVSLJ-XLFHBGCDSA-N 1 0 317.316 2.872 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[N@H+](C)C[C@H]2CCc3nccn3C2)c1 ZINC000377687671 337058404 /nfs/dbraw/zinc/05/84/04/337058404.db2.gz ALVGWGXUTZDZCW-ZIAGYGMSSA-N 1 0 315.417 2.853 20 10 DFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1C1CC1 ZINC000377704367 337059201 /nfs/dbraw/zinc/05/92/01/337059201.db2.gz RQLHXVVRQNNHTR-KGLIPLIRSA-N 1 0 309.793 2.677 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378380720 337071361 /nfs/dbraw/zinc/07/13/61/337071361.db2.gz VTNUMFSSWCMODK-SJLPKXTDSA-N 1 0 315.417 2.522 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccoc3)CC2)c1O ZINC000378445376 337072877 /nfs/dbraw/zinc/07/28/77/337072877.db2.gz UGISVCSJWLXTBO-UHFFFAOYSA-N 1 0 314.385 2.642 20 10 DFCDRO O=C([C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1)N1CCCCC1 ZINC000378493860 337074433 /nfs/dbraw/zinc/07/44/33/337074433.db2.gz JBJHAOAEMWJEQJ-AWEZNQCLSA-N 1 0 320.408 2.756 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1F ZINC000360079117 337085171 /nfs/dbraw/zinc/08/51/71/337085171.db2.gz ZAYJBCFWONBQJV-HNNXBMFYSA-N 1 0 316.424 2.690 20 10 DFCDRO Oc1cccc([C@@H]2CN(Cc3cc(F)ccc3O)CCO2)c1 ZINC000180165085 337175139 /nfs/dbraw/zinc/17/51/39/337175139.db2.gz RMSJJDDOMVJCOY-KRWDZBQOSA-N 1 0 303.333 2.810 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552341 337249071 /nfs/dbraw/zinc/24/90/71/337249071.db2.gz DPDJSEJZVIGSAY-LSDHHAIUSA-N 1 0 314.433 2.754 20 10 DFCDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)CC2 ZINC000185997514 337252455 /nfs/dbraw/zinc/25/24/55/337252455.db2.gz JWSNGWWPPJDTFU-WCQYABFASA-N 1 0 318.396 2.912 20 10 DFCDRO Cc1ccc(O)c(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1 ZINC000188479245 337273761 /nfs/dbraw/zinc/27/37/61/337273761.db2.gz PXXCGRLXZGLURL-ZDUSSCGKSA-N 1 0 300.406 2.992 20 10 DFCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000188571857 337274110 /nfs/dbraw/zinc/27/41/10/337274110.db2.gz XDHQBEGDYJOMIB-QAPCUYQASA-N 1 0 304.434 2.775 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(Nc3nccs3)CC2)c1 ZINC000189953051 337284043 /nfs/dbraw/zinc/28/40/43/337284043.db2.gz KZUIWUUIEPHKAK-UHFFFAOYSA-N 1 0 319.430 2.934 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)ccc1OC ZINC000190331186 337286872 /nfs/dbraw/zinc/28/68/72/337286872.db2.gz YDZWZYNOMPACGV-NUJGCVRESA-N 1 0 305.418 2.889 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000105904997 337386843 /nfs/dbraw/zinc/38/68/43/337386843.db2.gz LCXOMWRRFRUMAW-CQSZACIVSA-N 1 0 318.808 2.594 20 10 DFCDRO C[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO[C@H]1C1CC1 ZINC000359973352 337441180 /nfs/dbraw/zinc/44/11/80/337441180.db2.gz KRRSFXTXTAAPHB-RBUKOAKNSA-N 1 0 316.445 2.570 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000286876516 337616008 /nfs/dbraw/zinc/61/60/08/337616008.db2.gz HXMALNGKISYOSL-JSGCOSHPSA-N 1 0 302.340 2.952 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ncccc2F)cc1OC ZINC000529691571 340767919 /nfs/dbraw/zinc/76/79/19/340767919.db2.gz ZRABSCXQFHLHSP-JTQLQIEISA-N 1 0 306.337 2.794 20 10 DFCDRO CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554884 341355824 /nfs/dbraw/zinc/35/58/24/341355824.db2.gz PHDMZBITPCJCSQ-LJQANCHMSA-N 1 0 323.440 2.544 20 10 DFCDRO CN(C(=O)Cc1ccc(N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554883 341355855 /nfs/dbraw/zinc/35/58/55/341355855.db2.gz PHDMZBITPCJCSQ-IBGZPJMESA-N 1 0 323.440 2.544 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1O ZINC000267428228 341591250 /nfs/dbraw/zinc/59/12/50/341591250.db2.gz BUZSVZOWECUAPT-MRXNPFEDSA-N 1 0 320.408 2.794 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064296 500737459 /nfs/dbraw/zinc/73/74/59/500737459.db2.gz BAEFRTKKOIQBHE-QRVBRYPASA-N 1 0 317.477 2.657 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H](C)O)c1O ZINC000267393834 518278947 /nfs/dbraw/zinc/27/89/47/518278947.db2.gz PKBVSDYEJJIZDM-NHYWBVRUSA-N 1 0 311.809 2.984 20 10 DFCDRO CC(C)[C@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC000236660549 519815454 /nfs/dbraw/zinc/81/54/54/519815454.db2.gz PEROMUMLJUQSCL-SFHVURJKSA-N 1 0 317.477 2.684 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(C)o2)c(O)c1 ZINC000266063561 520365569 /nfs/dbraw/zinc/36/55/69/520365569.db2.gz WIPHTJNWHSMZHD-INIZCTEOSA-N 1 0 305.374 2.906 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(C)o2)c(O)c1 ZINC000266063565 520365899 /nfs/dbraw/zinc/36/58/99/520365899.db2.gz WIPHTJNWHSMZHD-MRXNPFEDSA-N 1 0 305.374 2.906 20 10 DFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179935830 520659047 /nfs/dbraw/zinc/65/90/47/520659047.db2.gz YAKVPJGAWAIWJR-MRXNPFEDSA-N 1 0 304.434 2.829 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C[S@](C)=O)cc1F ZINC000130989755 520890886 /nfs/dbraw/zinc/89/08/86/520890886.db2.gz ZSXMXRRUDWXFDT-LRTDBIEQSA-N 1 0 314.470 2.871 20 10 DFCDRO CCOc1ccc(O)c(C[N@H+](CC)C[C@H](O)C(F)(F)F)c1 ZINC000189878039 521142501 /nfs/dbraw/zinc/14/25/01/521142501.db2.gz PTVVNIPFDSNELB-ZDUSSCGKSA-N 1 0 307.312 2.536 20 10 DFCDRO CCOc1cccc(C[NH2+][C@H](CO)Cc2cccc(C)c2)c1O ZINC000189022888 521376785 /nfs/dbraw/zinc/37/67/85/521376785.db2.gz GCYUTKURQLNHSD-KRWDZBQOSA-N 1 0 315.413 2.793 20 10 DFCDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000163460562 521644274 /nfs/dbraw/zinc/64/42/74/521644274.db2.gz FSUXYAVJGGYLFN-OAHLLOKOSA-N 1 0 324.490 2.762 20 10 DFCDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268720448 521745644 /nfs/dbraw/zinc/74/56/44/521745644.db2.gz KNTHWLYJIDDBAD-KGLIPLIRSA-N 1 0 321.440 2.991 20 10 DFCDRO CN(C)c1ccc(C2=CC[N@H+](C[C@@H](O)COC(C)(C)C)C2)cc1 ZINC000364965634 522155756 /nfs/dbraw/zinc/15/57/56/522155756.db2.gz BABOJDQUXCNAPV-GOSISDBHSA-N 1 0 318.461 2.628 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1 ZINC000270254492 522208473 /nfs/dbraw/zinc/20/84/73/522208473.db2.gz GTPJTVTZGBTRNT-GOSISDBHSA-N 1 0 302.393 2.889 20 10 DFCDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000132759033 522382723 /nfs/dbraw/zinc/38/27/23/522382723.db2.gz ZQENQXHKZLGDOI-MRXNPFEDSA-N 1 0 311.429 2.918 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)cc1OC ZINC000182489596 522781154 /nfs/dbraw/zinc/78/11/54/522781154.db2.gz DFUXNGCDLKNGMO-DOTOQJQBSA-N 1 0 309.406 2.703 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1OC ZINC000182623260 522781518 /nfs/dbraw/zinc/78/15/18/522781518.db2.gz BXCMFSMCIUMZRO-CQSZACIVSA-N 1 0 321.417 2.991 20 10 DFCDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc(N)cc2)C1 ZINC000237053139 523089703 /nfs/dbraw/zinc/08/97/03/523089703.db2.gz VVJPSNJCZISWCF-HNNXBMFYSA-N 1 0 317.477 2.828 20 10 DFCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000183127120 523220800 /nfs/dbraw/zinc/22/08/00/523220800.db2.gz XJYCQHXXRXOLGW-UHFFFAOYSA-N 1 0 315.369 2.576 20 10 DFCDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000190424375 523561611 /nfs/dbraw/zinc/56/16/11/523561611.db2.gz AZRBGDGZIVNAMH-HOCLYGCPSA-N 1 0 301.390 2.619 20 10 DFCDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000190427408 523563261 /nfs/dbraw/zinc/56/32/61/523563261.db2.gz SVVQCXBOVFJIGV-RDJZCZTQSA-N 1 0 315.417 2.927 20 10 DFCDRO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000179878913 523600359 /nfs/dbraw/zinc/60/03/59/523600359.db2.gz XEQQATSEBUKNRZ-MRXNPFEDSA-N 1 0 313.449 2.744 20 10 DFCDRO CN(C(=O)C[NH2+]Cc1c(O)cccc1Cl)C1CCCCC1 ZINC000267125691 523826453 /nfs/dbraw/zinc/82/64/53/523826453.db2.gz UWMZMBBWIXMGBH-UHFFFAOYSA-N 1 0 310.825 2.926 20 10 DFCDRO Cc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000179930860 524394412 /nfs/dbraw/zinc/39/44/12/524394412.db2.gz STLYMGAGFZIUPW-HNNXBMFYSA-N 1 0 304.434 2.685 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H](OC)C3)CC2)cc1 ZINC000364811166 524402764 /nfs/dbraw/zinc/40/27/64/524402764.db2.gz NPKRRWZMLXNDQX-CRAIPNDOSA-N 1 0 304.434 2.821 20 10 DFCDRO Cc1cccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000182671677 524432488 /nfs/dbraw/zinc/43/24/88/524432488.db2.gz IWEBJGOSDZBYAP-KRWDZBQOSA-N 1 0 324.424 2.839 20 10 DFCDRO COc1ccc(O)c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000180242459 524739174 /nfs/dbraw/zinc/73/91/74/524739174.db2.gz HZZAWYRHBZSBEW-GOSISDBHSA-N 1 0 313.397 2.883 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCOC3(CCOCC3)C2)c1O ZINC000180699536 524867103 /nfs/dbraw/zinc/86/71/03/524867103.db2.gz ZJOOLFHFCCMVHM-UHFFFAOYSA-N 1 0 311.809 2.735 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1C ZINC000266186355 525322863 /nfs/dbraw/zinc/32/28/63/525322863.db2.gz HFJHFPYQUZKUOG-GOSISDBHSA-N 1 0 324.424 2.900 20 10 DFCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2Cn2cncn2)cc1C ZINC000266175267 525323867 /nfs/dbraw/zinc/32/38/67/525323867.db2.gz DIXQKTIZBZEMCV-UHFFFAOYSA-N 1 0 322.412 2.939 20 10 DFCDRO C[C@H]([NH2+]CCCCCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000182143234 525334059 /nfs/dbraw/zinc/33/40/59/525334059.db2.gz JEMZDUCQMBDJNK-HNNXBMFYSA-N 1 0 324.440 2.866 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000129489410 525341638 /nfs/dbraw/zinc/34/16/38/525341638.db2.gz ZDIZXMVCLVPVSO-UHFFFAOYSA-N 1 0 302.340 2.771 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c1 ZINC000179980419 525342933 /nfs/dbraw/zinc/34/29/33/525342933.db2.gz IYBXSXHIWJXIBZ-UHFFFAOYSA-N 1 0 324.424 2.588 20 10 DFCDRO C[C@@H]([NH2+]CCCCCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000182143249 525432310 /nfs/dbraw/zinc/43/23/10/525432310.db2.gz JEMZDUCQMBDJNK-OAHLLOKOSA-N 1 0 324.440 2.866 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]CCOCC(F)F ZINC000190894229 526341445 /nfs/dbraw/zinc/34/14/45/526341445.db2.gz KWKMMVBEEWUWRA-UHFFFAOYSA-N 1 0 310.138 2.526 20 10 DFCDRO Cc1ncccc1O[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000368977104 527368229 /nfs/dbraw/zinc/36/82/29/527368229.db2.gz BZDVASWIVVIKJW-OAHLLOKOSA-N 1 0 302.349 2.888 20 10 DFCDRO Nc1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237912617 527477534 /nfs/dbraw/zinc/47/75/34/527477534.db2.gz VKXZZFPOJRAUCI-LJQANCHMSA-N 1 0 323.440 2.592 20 10 DFCDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273414700 534957363 /nfs/dbraw/zinc/95/73/63/534957363.db2.gz QMDXCSXNXQPYFY-UONOGXRCSA-N 1 0 320.433 2.561 20 10 DFCDRO CCN(CC)c1ncc(C[NH2+]Cc2cccc(OC)c2O)s1 ZINC000289432509 535693598 /nfs/dbraw/zinc/69/35/98/535693598.db2.gz KYUKAWLESUPVRW-UHFFFAOYSA-N 1 0 321.446 2.993 20 10 DFCDRO C[NH+](C)CCc1ccccc1NCc1cc2c(cc1O)OCO2 ZINC000275685792 535931061 /nfs/dbraw/zinc/93/10/61/535931061.db2.gz ZYEUTTBXCNMQIC-UHFFFAOYSA-N 1 0 314.385 2.837 20 10 DFCDRO Cc1cccc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1O ZINC000826298108 608581552 /nfs/dbraw/zinc/58/15/52/608581552.db2.gz DQIHLYGQUDFKKX-UHFFFAOYSA-N 1 0 309.373 2.513 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106908001 282181515 /nfs/dbraw/zinc/18/15/15/282181515.db2.gz LKNUAUAIKOEYDE-KRWDZBQOSA-N 1 0 312.413 2.524 20 10 DFCDRO C[C@H]([NH2+]CC1(CO)COC1)c1ccc(N2CCCCCC2)cc1 ZINC000090644216 185307914 /nfs/dbraw/zinc/30/79/14/185307914.db2.gz MHYCGLYCXIQZCS-INIZCTEOSA-N 1 0 318.461 2.727 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000092704345 185334043 /nfs/dbraw/zinc/33/40/43/185334043.db2.gz AAWUZJZTZXXGAU-CQSZACIVSA-N 1 0 306.406 2.800 20 10 DFCDRO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)no1 ZINC000092814209 185343565 /nfs/dbraw/zinc/34/35/65/185343565.db2.gz UHMVEACRPHGBOL-CQSZACIVSA-N 1 0 301.390 2.847 20 10 DFCDRO Cc1cc(C)cc(N(C)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c1 ZINC000592501896 398436415 /nfs/dbraw/zinc/43/64/15/398436415.db2.gz NBNSIQFUCNWOHI-AWEZNQCLSA-N 1 0 312.417 2.613 20 10 DFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CCO)c1O ZINC000187227197 301070303 /nfs/dbraw/zinc/07/03/03/301070303.db2.gz MBFGIFMBRAXOKH-VHSXEESVSA-N 1 0 302.212 2.885 20 10 DFCDRO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000090951066 398498508 /nfs/dbraw/zinc/49/85/08/398498508.db2.gz LSFWDNCASRWPMO-CRAIPNDOSA-N 1 0 306.450 2.725 20 10 DFCDRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000089629026 192829414 /nfs/dbraw/zinc/82/94/14/192829414.db2.gz KSESJBWVOYNXQG-CYBMUJFWSA-N 1 0 312.479 2.617 20 10 DFCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(C)ccc2O)cc1 ZINC000093415722 193246668 /nfs/dbraw/zinc/24/66/68/193246668.db2.gz MBXYWBOFJFCNSN-QGZVFWFLSA-N 1 0 301.386 2.875 20 10 DFCDRO COCCCOC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000093561235 193268134 /nfs/dbraw/zinc/26/81/34/193268134.db2.gz VMSCXVCVYCVVBC-UHFFFAOYSA-N 1 0 306.450 2.770 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1cc(Cl)ccc1O ZINC000185375689 296148686 /nfs/dbraw/zinc/14/86/86/296148686.db2.gz GIQHOBGYYKDGGP-YNEHKIRRSA-N 1 0 312.841 2.805 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)CCCCO)c1ccc(N2CCOCC2)cc1 ZINC000272246664 130012611 /nfs/dbraw/zinc/01/26/11/130012611.db2.gz BJROTMDEPYQWAM-JKSUJKDBSA-N 1 0 306.450 2.725 20 10 DFCDRO OC[C@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccc(F)cc1 ZINC000272433933 130030351 /nfs/dbraw/zinc/03/03/51/130030351.db2.gz NQBDGWWQOMPHJE-ZDUSSCGKSA-N 1 0 307.340 2.611 20 10 DFCDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000272447499 130031077 /nfs/dbraw/zinc/03/10/77/130031077.db2.gz MBBUHOZSBYJMIV-QGZVFWFLSA-N 1 0 309.429 2.806 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000272780732 130063930 /nfs/dbraw/zinc/06/39/30/130063930.db2.gz ZJHLFEAHMIMMAC-UHFFFAOYSA-N 1 0 316.474 2.968 20 10 DFCDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1OCCO ZINC000272842084 130069062 /nfs/dbraw/zinc/06/90/62/130069062.db2.gz JWALDOXGVHYHIF-ZDUSSCGKSA-N 1 0 317.385 2.623 20 10 DFCDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(Br)ccc1O ZINC000273081465 130088296 /nfs/dbraw/zinc/08/82/96/130088296.db2.gz MKVAHHOGPMEKOD-SNVBAGLBSA-N 1 0 324.222 2.782 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1F ZINC000273128307 130091785 /nfs/dbraw/zinc/09/17/85/130091785.db2.gz AZIMUQKAKHCDPV-OAHLLOKOSA-N 1 0 322.424 2.867 20 10 DFCDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000273344706 130109709 /nfs/dbraw/zinc/10/97/09/130109709.db2.gz AIZZPGMLYVGWHD-DJJJIMSYSA-N 1 0 319.445 2.709 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c(O)c1C ZINC000273452859 130123474 /nfs/dbraw/zinc/12/34/74/130123474.db2.gz GKQHTEDQUJZTAG-CABCVRRESA-N 1 0 321.417 2.582 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1 ZINC000273467860 130124992 /nfs/dbraw/zinc/12/49/92/130124992.db2.gz FBWMRQUOPKFTLR-ZNMIVQPWSA-N 1 0 304.434 2.998 20 10 DFCDRO 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CCc1ccc([C@@H](O)C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000289625950 131401969 /nfs/dbraw/zinc/40/19/69/131401969.db2.gz WQADMHLQJBGKAX-SFHVURJKSA-N 1 0 301.386 2.786 20 10 DFCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000290275158 131472046 /nfs/dbraw/zinc/47/20/46/131472046.db2.gz WPTUJFNZHBNBFX-MCIONIFRSA-N 1 0 310.413 2.736 20 10 DFCDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000295131211 131885349 /nfs/dbraw/zinc/88/53/49/131885349.db2.gz ONIQDVUQAILOAC-JTQLQIEISA-N 1 0 321.295 2.568 20 10 DFCDRO Cc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)nc(N2CCCC2)n1 ZINC000297468914 132017103 /nfs/dbraw/zinc/01/71/03/132017103.db2.gz YMGYXBNOUZNLAU-INIZCTEOSA-N 1 0 324.428 2.868 20 10 DFCDRO Cc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)nc(N2CCCC2)n1 ZINC000297468916 132017457 /nfs/dbraw/zinc/01/74/57/132017457.db2.gz YMGYXBNOUZNLAU-MRXNPFEDSA-N 1 0 324.428 2.868 20 10 DFCDRO Cc1nnsc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000293772951 543021726 /nfs/dbraw/zinc/02/17/26/543021726.db2.gz 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CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(C)c(C)cc3O)[C@H]2C1 ZINC000165303974 426121916 /nfs/dbraw/zinc/12/19/16/426121916.db2.gz VFJHCVHWYAFEOB-RYRKJORJSA-N 1 0 305.418 2.777 20 10 DFCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCCCO3)CC2)cc1F ZINC000084866357 426246257 /nfs/dbraw/zinc/24/62/57/426246257.db2.gz MMVZYLFJKBSVBO-HNNXBMFYSA-N 1 0 308.397 2.525 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c1O ZINC000174443331 426257427 /nfs/dbraw/zinc/25/74/27/426257427.db2.gz HRBZYXJHNQOLHE-GOSISDBHSA-N 1 0 319.401 2.998 20 10 DFCDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000151352052 426291349 /nfs/dbraw/zinc/29/13/49/426291349.db2.gz LRYPOYMBRZDGCM-WMLDXEAASA-N 1 0 323.458 2.935 20 10 DFCDRO CCCOC(=O)[C@H](C)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000119489426 426292295 /nfs/dbraw/zinc/29/22/95/426292295.db2.gz GWMVNUSOJIADJO-HOCLYGCPSA-N 1 0 321.417 2.715 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cncc(F)c1 ZINC000151071663 426275768 /nfs/dbraw/zinc/27/57/68/426275768.db2.gz 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CCCN(Cc1c(C)nn(C)c1OC)c1ccc(C[NH3+])cc1 ZINC000194980299 426496657 /nfs/dbraw/zinc/49/66/57/426496657.db2.gz HLSBYCNBQIQETR-UHFFFAOYSA-N 1 0 302.422 2.612 20 10 DFCDRO CCN(CC)c1ccc(CN2CCOC[C@]23CCOC3)cc1 ZINC000195010163 426497715 /nfs/dbraw/zinc/49/77/15/426497715.db2.gz BTDOPLVLVNYCEF-GOSISDBHSA-N 1 0 304.434 2.524 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C2CCN(C)CC2)c(C(F)(F)F)c1 ZINC000280075429 426502870 /nfs/dbraw/zinc/50/28/70/426502870.db2.gz XZEAUUNKJDUPHG-UHFFFAOYSA-N 1 0 315.383 2.955 20 10 DFCDRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000178214523 426588972 /nfs/dbraw/zinc/58/89/72/426588972.db2.gz OFRGXFXRARDUJL-HNNXBMFYSA-N 1 0 315.461 2.854 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCCC2=O)cc1 ZINC000178491725 426640237 /nfs/dbraw/zinc/64/02/37/426640237.db2.gz JWTVOGKTPNPCPQ-LSDHHAIUSA-N 1 0 303.450 2.804 20 10 DFCDRO OC[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CCCC1 ZINC000289639358 426670230 /nfs/dbraw/zinc/67/02/30/426670230.db2.gz PXKCCJIMFCIHOX-CYBMUJFWSA-N 1 0 314.223 2.795 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c(O)c1 ZINC000289662658 426670350 /nfs/dbraw/zinc/67/03/50/426670350.db2.gz YRGPBNMGNYAENT-GOSISDBHSA-N 1 0 321.417 2.562 20 10 DFCDRO OC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1C(F)(F)F ZINC000289643735 426670885 /nfs/dbraw/zinc/67/08/85/426670885.db2.gz MLTABMWYXKBUMO-JQWIXIFHSA-N 1 0 307.287 2.524 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000289704733 426672850 /nfs/dbraw/zinc/67/28/50/426672850.db2.gz KORTUCMQKSLAIP-IAGOWNOFSA-N 1 0 323.440 2.776 20 10 DFCDRO CC[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289702119 426672980 /nfs/dbraw/zinc/67/29/80/426672980.db2.gz GDYIKUUURLLVOK-UHFFFAOYSA-N 1 0 317.345 2.726 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@@H]2COc3ccccc32)cc1OC ZINC000289998279 426679515 /nfs/dbraw/zinc/67/95/15/426679515.db2.gz CVHBOOMFNLABJB-CYBMUJFWSA-N 1 0 315.369 2.675 20 10 DFCDRO CCOc1cccc(CN2C[C@@H](CC)[S@@](=O)[C@@H](C)C2)c1O ZINC000289985432 426679653 /nfs/dbraw/zinc/67/96/53/426679653.db2.gz ZYFRRDXHHUVYPH-UPBLURMWSA-N 1 0 311.447 2.522 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+]CCCCCS(C)(=O)=O)c1O ZINC000187693350 426683964 /nfs/dbraw/zinc/68/39/64/426683964.db2.gz KGIIVOKDIIOTBQ-UHFFFAOYSA-N 1 0 319.854 2.659 20 10 DFCDRO CN(C)C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000237031371 426689301 /nfs/dbraw/zinc/68/93/01/426689301.db2.gz PTZGMXXGNNNTME-HNNXBMFYSA-N 1 0 314.385 2.513 20 10 DFCDRO COc1cccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1O ZINC000281197256 426704667 /nfs/dbraw/zinc/70/46/67/426704667.db2.gz ITQQDZXRFNZZCA-HNNXBMFYSA-N 1 0 301.390 2.862 20 10 DFCDRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccccc2O)C1 ZINC000290162936 426706103 /nfs/dbraw/zinc/70/61/03/426706103.db2.gz MBOLJBZFHCRBDT-IBGZPJMESA-N 1 0 315.388 2.958 20 10 DFCDRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccccc2O)C1 ZINC000290162939 426706477 /nfs/dbraw/zinc/70/64/77/426706477.db2.gz MBOLJBZFHCRBDT-LJQANCHMSA-N 1 0 315.388 2.958 20 10 DFCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000281215621 426706789 /nfs/dbraw/zinc/70/67/89/426706789.db2.gz UQEIKWKLFVPZFJ-IBGZPJMESA-N 1 0 315.461 2.635 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)nc2OC)c1 ZINC000290170992 426708445 /nfs/dbraw/zinc/70/84/45/426708445.db2.gz MRGROLTXHXNILT-LLVKDONJSA-N 1 0 318.373 2.664 20 10 DFCDRO [NH3+][C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000178817582 426701947 /nfs/dbraw/zinc/70/19/47/426701947.db2.gz AREUCYIDCYUQFR-IBGZPJMESA-N 1 0 323.440 2.993 20 10 DFCDRO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000281813798 426770185 /nfs/dbraw/zinc/77/01/85/426770185.db2.gz ZCKNEBMHJVATSQ-YOEHRIQHSA-N 1 0 303.450 2.804 20 10 DFCDRO COCC(C)(C)CCC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000290313649 426738763 /nfs/dbraw/zinc/73/87/63/426738763.db2.gz CHVVERGFJVPJMD-UHFFFAOYSA-N 1 0 311.422 2.952 20 10 DFCDRO Oc1ccccc1C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000179577409 426801507 /nfs/dbraw/zinc/80/15/07/426801507.db2.gz HBMLJXSMNKUDIF-UHFFFAOYSA-N 1 0 317.820 2.758 20 10 DFCDRO Cc1occc1C(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179569011 426803630 /nfs/dbraw/zinc/80/36/30/426803630.db2.gz IKTOZOYCDHAWIQ-UHFFFAOYSA-N 1 0 314.385 2.688 20 10 DFCDRO COc1ccc(O)c(C[N@H+](C)C[C@H]2COc3ccccc3O2)c1 ZINC000179572118 426803720 /nfs/dbraw/zinc/80/37/20/426803720.db2.gz USFJKYXLGYUAJG-HNNXBMFYSA-N 1 0 315.369 2.673 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1OC ZINC000179780266 426817475 /nfs/dbraw/zinc/81/74/75/426817475.db2.gz SYYAIIJRNHWTBN-GFCCVEGCSA-N 1 0 317.389 2.512 20 10 DFCDRO CC[C@H]([NH3+])CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000295179309 426851784 /nfs/dbraw/zinc/85/17/84/426851784.db2.gz HGCHIDQTGUOUJZ-AWEZNQCLSA-N 1 0 303.381 2.700 20 10 DFCDRO OC[C@]1([NH2+]Cc2cc(F)ccc2O)CCCc2ccccc21 ZINC000282475325 426914556 /nfs/dbraw/zinc/91/45/56/426914556.db2.gz WQDRVMPDZXMYAO-GOSISDBHSA-N 1 0 301.361 2.845 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]CC2([S@@](C)=O)CC2)cc1F ZINC000282482109 426916064 /nfs/dbraw/zinc/91/60/64/426916064.db2.gz VLZVTPIWWBREAE-OAQYLSRUSA-N 1 0 312.454 2.673 20 10 DFCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)C(=O)NCCF)cc1 ZINC000282758438 426926624 /nfs/dbraw/zinc/92/66/24/426926624.db2.gz TWLRKHJXMZAVMT-HNNXBMFYSA-N 1 0 323.456 2.877 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O ZINC000246809769 426866880 /nfs/dbraw/zinc/86/68/80/426866880.db2.gz RAKZWRMIHATPCG-UKRRQHHQSA-N 1 0 301.390 2.680 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291247116 426880688 /nfs/dbraw/zinc/88/06/88/426880688.db2.gz LPEMUOVCVFUSPV-HNNXBMFYSA-N 1 0 312.404 2.982 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@H]2CCOC)cc1 ZINC000291351843 426882310 /nfs/dbraw/zinc/88/23/10/426882310.db2.gz XICXTWVUBNUPGZ-GOSISDBHSA-N 1 0 306.450 2.770 20 10 DFCDRO COc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1O ZINC000282347479 426888614 /nfs/dbraw/zinc/88/86/14/426888614.db2.gz VLKCPLZILAXWQH-UHFFFAOYSA-N 1 0 319.430 2.616 20 10 DFCDRO NC(=O)CCC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295310738 426901510 /nfs/dbraw/zinc/90/15/10/426901510.db2.gz KPDICWIBBKXHMH-UHFFFAOYSA-N 1 0 314.788 2.662 20 10 DFCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1O ZINC000291530340 426907020 /nfs/dbraw/zinc/90/70/20/426907020.db2.gz KDZZMPLZRFYLSO-CZUORRHYSA-N 1 0 324.852 2.649 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@H]2CCCC23CCOCC3)cc1OC ZINC000282430201 426910258 /nfs/dbraw/zinc/91/02/58/426910258.db2.gz FHLZEEMMIHIMRS-KRWDZBQOSA-N 1 0 321.417 2.848 20 10 DFCDRO CCCC[N@H+](CC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000282476319 426914494 /nfs/dbraw/zinc/91/44/94/426914494.db2.gz OJSBRXBNNFTMEX-UHFFFAOYSA-N 1 0 318.339 2.673 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c(O)c1 ZINC000319803967 426963581 /nfs/dbraw/zinc/96/35/81/426963581.db2.gz HUSZMLBAVPSPCA-CJNGLKHVSA-N 1 0 315.417 2.618 20 10 DFCDRO Cc1cc(N2CCC([NH2+]Cc3cc(C)c(C)cc3O)CC2)n[nH]1 ZINC000276035134 426970202 /nfs/dbraw/zinc/97/02/02/426970202.db2.gz ORRVXRCHSNXXRD-UHFFFAOYSA-N 1 0 314.433 2.799 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)c1 ZINC000283052655 426943459 /nfs/dbraw/zinc/94/34/59/426943459.db2.gz OZXFKPVRGROCTG-CYBMUJFWSA-N 1 0 301.390 2.812 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(N(C)C)cc1 ZINC000283446543 427014827 /nfs/dbraw/zinc/01/48/27/427014827.db2.gz UHYSGCCCZHXIPK-BBRMVZONSA-N 1 0 301.434 2.605 20 10 DFCDRO CCOC1(C)CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000292078046 427080048 /nfs/dbraw/zinc/08/00/48/427080048.db2.gz MBYXYFGULWEEEF-UHFFFAOYSA-N 1 0 309.406 2.800 20 10 DFCDRO COC1CCN(c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000296455681 427183197 /nfs/dbraw/zinc/18/31/97/427183197.db2.gz JAQZIIHUUPYNIE-HZPDHXFCSA-N 1 0 318.461 2.911 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C12CCOCC2 ZINC000296459085 427186485 /nfs/dbraw/zinc/18/64/85/427186485.db2.gz NSOLWTRELUZFJD-BHYGNILZSA-N 1 0 317.429 2.943 20 10 DFCDRO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)[nH]1 ZINC000292758596 427198954 /nfs/dbraw/zinc/19/89/54/427198954.db2.gz IQHKKTFIIVALPE-INIZCTEOSA-N 1 0 313.449 2.867 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC000292803909 427201688 /nfs/dbraw/zinc/20/16/88/427201688.db2.gz NWUBQNVBBKVHNB-MRXNPFEDSA-N 1 0 310.825 2.582 20 10 DFCDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000183220580 427226970 /nfs/dbraw/zinc/22/69/70/427226970.db2.gz CFNIPWVJCMTPFM-AWEZNQCLSA-N 1 0 305.466 2.956 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1O ZINC000183348937 427250881 /nfs/dbraw/zinc/25/08/81/427250881.db2.gz YRSALZLVDIKMKP-NWDGAFQWSA-N 1 0 316.323 2.596 20 10 DFCDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2O)C1 ZINC000269690077 427253270 /nfs/dbraw/zinc/25/32/70/427253270.db2.gz NYXHVXAPEMRYKC-OAHLLOKOSA-N 1 0 319.449 2.559 20 10 DFCDRO CCOCC[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000277611006 427260677 /nfs/dbraw/zinc/26/06/77/427260677.db2.gz XXVZGEDSRRJUTC-SFHVURJKSA-N 1 0 306.450 2.505 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1O ZINC000183406850 427262712 /nfs/dbraw/zinc/26/27/12/427262712.db2.gz GJOHDDASJCBCDI-ZDUSSCGKSA-N 1 0 320.824 2.858 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2cccnc2)cc1OC ZINC000183719450 427328450 /nfs/dbraw/zinc/32/84/50/427328450.db2.gz DOXOITZGTIKQEQ-LBPRGKRZSA-N 1 0 302.374 2.997 20 10 DFCDRO CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293530466 427353518 /nfs/dbraw/zinc/35/35/18/427353518.db2.gz DWSWTXBJAKTUMB-GFCCVEGCSA-N 1 0 318.820 2.631 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c(O)c1 ZINC000293596129 427377336 /nfs/dbraw/zinc/37/73/36/427377336.db2.gz FSZFZNASDWVRGI-OAHLLOKOSA-N 1 0 306.450 2.770 20 10 DFCDRO COc1cccc(CN2CCC([NH+]3CCCCC3)CC2)c1O ZINC000271051386 427388104 /nfs/dbraw/zinc/38/81/04/427388104.db2.gz WGSAXAZAOKGRJN-UHFFFAOYSA-N 1 0 304.434 2.851 20 10 DFCDRO CC(C)C(=O)NC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000271052486 427389036 /nfs/dbraw/zinc/38/90/36/427389036.db2.gz QKAPLCNHJVYDOY-UHFFFAOYSA-N 1 0 310.825 2.782 20 10 DFCDRO COC[C@@H]1CC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000293678776 427404420 /nfs/dbraw/zinc/40/44/20/427404420.db2.gz PNANYVADMRVCTJ-LBPRGKRZSA-N 1 0 300.196 2.684 20 10 DFCDRO Cc1cc(C[NH+]2CCC(CCC(N)=O)CC2)ccc1N(C)C ZINC000293701463 427411137 /nfs/dbraw/zinc/41/11/37/427411137.db2.gz CVCXEASGURZCNJ-UHFFFAOYSA-N 1 0 303.450 2.539 20 10 DFCDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000262501649 427358013 /nfs/dbraw/zinc/35/80/13/427358013.db2.gz HJCINFLIZOSBLG-SFHVURJKSA-N 1 0 311.429 2.751 20 10 DFCDRO Cc1cc(C(=O)NC2CC[NH2+]CC2)c(C)n1-c1ccccc1C ZINC000262513162 427360991 /nfs/dbraw/zinc/36/09/91/427360991.db2.gz PWRGZVIJNFWUCB-UHFFFAOYSA-N 1 0 311.429 2.884 20 10 DFCDRO C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000278791104 427451714 /nfs/dbraw/zinc/45/17/14/427451714.db2.gz YRUJTAZFIJBNES-KGLIPLIRSA-N 1 0 310.413 2.683 20 10 DFCDRO COc1c(O)c(CN2CCOC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000278178679 427424083 /nfs/dbraw/zinc/42/40/83/427424083.db2.gz GRMXDNULPHUAKG-ZDUSSCGKSA-N 1 0 324.377 2.556 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CCS1 ZINC000278223388 427425535 /nfs/dbraw/zinc/42/55/35/427425535.db2.gz LRZZCNFHAGORCT-LLVKDONJSA-N 1 0 312.391 2.636 20 10 DFCDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297698153 427432422 /nfs/dbraw/zinc/43/24/22/427432422.db2.gz MFOQLLVCYXYSIE-RBSFLKMASA-N 1 0 302.418 2.616 20 10 DFCDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297698141 427432443 /nfs/dbraw/zinc/43/24/43/427432443.db2.gz MFOQLLVCYXYSIE-KFWWJZLASA-N 1 0 302.418 2.616 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278428487 427439798 /nfs/dbraw/zinc/43/97/98/427439798.db2.gz JDSRYDCGMOTREG-GJZGRUSLSA-N 1 0 314.433 2.754 20 10 DFCDRO COc1c([O-])c(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000278517306 427442182 /nfs/dbraw/zinc/44/21/82/427442182.db2.gz RDVQICMNJIPRRO-BLLLJJGKSA-N 1 0 324.377 2.602 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccccc1O ZINC000278545984 427442727 /nfs/dbraw/zinc/44/27/27/427442727.db2.gz VHRGRYPBXYWSRK-ZBFHGGJFSA-N 1 0 314.433 2.835 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000271199117 427445804 /nfs/dbraw/zinc/44/58/04/427445804.db2.gz OVGRJSKKCLZJOU-MAUKXSAKSA-N 1 0 305.418 2.918 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000278943322 427506922 /nfs/dbraw/zinc/50/69/22/427506922.db2.gz YQJVGLYPSRDOJI-CYBMUJFWSA-N 1 0 305.418 2.994 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)c1ccccc1O ZINC000278990178 427524301 /nfs/dbraw/zinc/52/43/01/427524301.db2.gz PXIHZTOFDTZNQY-DHSIGJKJSA-N 1 0 315.417 2.944 20 10 DFCDRO C[C@@]([NH3+])(C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000192520082 427557054 /nfs/dbraw/zinc/55/70/54/427557054.db2.gz FKGGXDQBLKGFFN-FQEVSTJZSA-N 1 0 323.440 2.777 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC000184877645 427558885 /nfs/dbraw/zinc/55/88/85/427558885.db2.gz VPBLLHWTUVMPRQ-ZDUSSCGKSA-N 1 0 300.406 2.869 20 10 DFCDRO C[C@H]([NH2+]Cc1ccnn1C)c1ccc(Br)cc1O ZINC000184996462 427574747 /nfs/dbraw/zinc/57/47/47/427574747.db2.gz RPLYDQQSZOBZCP-VIFPVBQESA-N 1 0 310.195 2.739 20 10 DFCDRO CCc1nn(C)c(OC)c1C[NH2+]Cc1c(O)cccc1Cl ZINC000271608205 427581915 /nfs/dbraw/zinc/58/19/15/427581915.db2.gz ZNEKQTLAHGWIAH-UHFFFAOYSA-N 1 0 309.797 2.640 20 10 DFCDRO Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000271900556 427591780 /nfs/dbraw/zinc/59/17/80/427591780.db2.gz VNFNRGKNEPWACN-QGZVFWFLSA-N 1 0 310.397 2.591 20 10 DFCDRO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1c(O)cccc1Cl)CC2 ZINC000271839486 427591849 /nfs/dbraw/zinc/59/18/49/427591849.db2.gz GQFYDZXPWYUBAE-LLVKDONJSA-N 1 0 320.824 2.865 20 10 DFCDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(Br)cc1O ZINC000185113356 427595891 /nfs/dbraw/zinc/59/58/91/427595891.db2.gz GUIAYHUADYACML-VIFPVBQESA-N 1 0 310.195 2.739 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCOC1)c1ccc(Br)cc1O ZINC000185387068 427643752 /nfs/dbraw/zinc/64/37/52/427643752.db2.gz JCYAWWVVRREQKT-ONGXEEELSA-N 1 0 300.196 2.984 20 10 DFCDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185389882 427644925 /nfs/dbraw/zinc/64/49/25/427644925.db2.gz ZHXISQRNUNGGJL-ZANVPECISA-N 1 0 302.212 2.966 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c1 ZINC000185444114 427653723 /nfs/dbraw/zinc/65/37/23/427653723.db2.gz MVNBZFSSKAPYMS-CYBMUJFWSA-N 1 0 320.433 2.700 20 10 DFCDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185467604 427658029 /nfs/dbraw/zinc/65/80/29/427658029.db2.gz LAHFZPSUBDJFBI-FZKQIMNGSA-N 1 0 307.434 2.709 20 10 DFCDRO C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000185491745 427660743 /nfs/dbraw/zinc/66/07/43/427660743.db2.gz PBYRBWQTALYXAJ-KBPBESRZSA-N 1 0 322.424 2.683 20 10 DFCDRO C[C@@H](CCCCO)[NH2+]Cc1cc(Br)ccc1O ZINC000294994556 427668262 /nfs/dbraw/zinc/66/82/62/427668262.db2.gz HXRNXTVTOUULSS-JTQLQIEISA-N 1 0 302.212 2.795 20 10 DFCDRO Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000294932581 427666362 /nfs/dbraw/zinc/66/63/62/427666362.db2.gz DFOHKGIWYDIFEW-LJQANCHMSA-N 1 0 323.440 2.694 20 10 DFCDRO CC(C)OC[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000298721327 427685678 /nfs/dbraw/zinc/68/56/78/427685678.db2.gz LJECDQPLKNVFRO-GOSISDBHSA-N 1 0 308.466 2.749 20 10 DFCDRO C=Cn1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000193605455 427699478 /nfs/dbraw/zinc/69/94/78/427699478.db2.gz RLIOTGFCLVHGND-KRWDZBQOSA-N 1 0 313.401 2.870 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1 ZINC000295126448 427702072 /nfs/dbraw/zinc/70/20/72/427702072.db2.gz XZCZZMKTGPGEKL-UHFFFAOYSA-N 1 0 320.433 2.672 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1[O-] ZINC000287896186 427711767 /nfs/dbraw/zinc/71/17/67/427711767.db2.gz ZHUOGXWZSJGPKZ-DOMZBBRYSA-N 1 0 312.841 2.543 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c(O)c1 ZINC000279793238 427716756 /nfs/dbraw/zinc/71/67/56/427716756.db2.gz MNPYWBYVTWWJBC-HNNXBMFYSA-N 1 0 320.433 2.529 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc2ccccc2c1O ZINC000185993974 427739484 /nfs/dbraw/zinc/73/94/84/427739484.db2.gz JHWJVZSMCOUNCC-TZMCWYRMSA-N 1 0 308.385 2.803 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050732 427743743 /nfs/dbraw/zinc/74/37/43/427743743.db2.gz SRWQBQXFUVCIQT-CABCVRRESA-N 1 0 312.417 2.810 20 10 DFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000186109343 427748511 /nfs/dbraw/zinc/74/85/11/427748511.db2.gz QVRBQODLCAUXQH-JQWIXIFHSA-N 1 0 311.813 2.500 20 10 DFCDRO CC[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[NH+](CC)CC ZINC000359848628 428044296 /nfs/dbraw/zinc/04/42/96/428044296.db2.gz CHUPMHKAJAEFCI-HNNXBMFYSA-N 1 0 319.449 2.598 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)C12CCC[NH+]1CCC2 ZINC000356177226 428056113 /nfs/dbraw/zinc/05/61/13/428056113.db2.gz PSSOLHIHZRRLCQ-UHFFFAOYSA-N 1 0 311.429 2.731 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2c2cccnn2)c(O)c1 ZINC000359957269 428093711 /nfs/dbraw/zinc/09/37/11/428093711.db2.gz HCNZESRIFGEKQH-LSDHHAIUSA-N 1 0 312.417 2.810 20 10 DFCDRO CCOc1cccc(CNC2CC([NH+]3CCCCC3)C2)c1O ZINC000370131213 428141859 /nfs/dbraw/zinc/14/18/59/428141859.db2.gz JMUCSBBBKMKMRE-UHFFFAOYSA-N 1 0 304.434 2.897 20 10 DFCDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000372082275 428414295 /nfs/dbraw/zinc/41/42/95/428414295.db2.gz ZFXWAEWYSARCGG-DLBZAZTESA-N 1 0 302.418 2.676 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CC3)CC2)cc1 ZINC000371340862 428382201 /nfs/dbraw/zinc/38/22/01/428382201.db2.gz JBCAFMZVEMISBA-UHFFFAOYSA-N 1 0 315.461 2.587 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(c3cncc(F)c3)CC2)c1 ZINC000371310766 428382934 /nfs/dbraw/zinc/38/29/34/428382934.db2.gz OORFWDFJLZTDJU-UHFFFAOYSA-N 1 0 315.392 2.947 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCN2C)c1 ZINC000371383588 428386122 /nfs/dbraw/zinc/38/61/22/428386122.db2.gz ORLXGXUOHLJPPW-IRXDYDNUSA-N 1 0 304.434 2.850 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](OCC3CC3)C1)OCO2 ZINC000372491898 428455500 /nfs/dbraw/zinc/45/55/00/428455500.db2.gz PXECQUYGLLPDEL-AWEZNQCLSA-N 1 0 305.374 2.512 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cccnc3C)C2)c1 ZINC000372814829 428503461 /nfs/dbraw/zinc/50/34/61/428503461.db2.gz LHNVQYDQRUFHJT-INIZCTEOSA-N 1 0 314.385 2.758 20 10 DFCDRO CCN(CC)c1ccc(CN2CC[S@@](=O)CC[C@@H]2C)cc1 ZINC000373038779 428513620 /nfs/dbraw/zinc/51/36/20/428513620.db2.gz WQEQJIMCUUUJKF-BTYIYWSLSA-N 1 0 308.491 2.876 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1O ZINC000373217010 428522777 /nfs/dbraw/zinc/52/27/77/428522777.db2.gz PJYYAAQQKANYMJ-DOMZBBRYSA-N 1 0 322.836 2.845 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O ZINC000373217012 428524294 /nfs/dbraw/zinc/52/42/94/428524294.db2.gz PJYYAAQQKANYMJ-IUODEOHRSA-N 1 0 322.836 2.845 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@]2(CCCOC2)O1 ZINC000373464312 428583585 /nfs/dbraw/zinc/58/35/85/428583585.db2.gz DSUWAQJSDDNREQ-YJBOKZPZSA-N 1 0 321.417 2.561 20 10 DFCDRO Cc1cccc(C[N@@H+](C)C2CCN(c3ncccn3)CC2)c1O ZINC000361051742 428532449 /nfs/dbraw/zinc/53/24/49/428532449.db2.gz ZLOFAOBTAGUNSJ-UHFFFAOYSA-N 1 0 312.417 2.591 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000373633876 428624501 /nfs/dbraw/zinc/62/45/01/428624501.db2.gz COZATCGHTQTSCX-KSSFIOAISA-N 1 0 321.417 2.561 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000373974907 428658075 /nfs/dbraw/zinc/65/80/75/428658075.db2.gz FZBJRWCAQCHWHK-GLJUWKHASA-N 1 0 321.417 2.559 20 10 DFCDRO CN(C)c1ccc(C2=CC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000374325656 428673516 /nfs/dbraw/zinc/67/35/16/428673516.db2.gz PVBVPMVUJXAPHT-IBGZPJMESA-N 1 0 321.424 2.678 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c1O ZINC000362385761 428726786 /nfs/dbraw/zinc/72/67/86/428726786.db2.gz HFHSDSGDDSDDFE-CQSZACIVSA-N 1 0 317.389 2.862 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)OC)C2)c1O ZINC000374682893 428730606 /nfs/dbraw/zinc/73/06/06/428730606.db2.gz NBFDKXBNMIHNHV-KBXCAEBGSA-N 1 0 319.401 2.566 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(C(=O)OC)C2)c1O ZINC000374682896 428731347 /nfs/dbraw/zinc/73/13/47/428731347.db2.gz NBFDKXBNMIHNHV-RDTXWAMCSA-N 1 0 319.401 2.566 20 10 DFCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(N(C)C)cc1 ZINC000290322784 274530732 /nfs/dbraw/zinc/53/07/32/274530732.db2.gz OKEUAYJXLIAWIQ-SOVGHPHASA-N 1 0 312.413 2.898 20 10 DFCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000363264870 428895033 /nfs/dbraw/zinc/89/50/33/428895033.db2.gz SXMGRQFLODMAAK-INIZCTEOSA-N 1 0 324.852 2.779 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)CCCCCO)CC2)cc1 ZINC000363287565 428900488 /nfs/dbraw/zinc/90/04/88/428900488.db2.gz GTBPVYPUMSUVJF-UHFFFAOYSA-N 1 0 306.450 2.758 20 10 DFCDRO CCOCc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000363441569 428915217 /nfs/dbraw/zinc/91/52/17/428915217.db2.gz HYGZBBQSCJPXNM-QZTJIDSGSA-N 1 0 318.461 2.948 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1O ZINC000364327133 429184318 /nfs/dbraw/zinc/18/43/18/429184318.db2.gz IOCDYSWHQJTREV-CQSZACIVSA-N 1 0 316.361 2.642 20 10 DFCDRO CN1CCc2cc(CN[C@H](c3ncc[nH]3)c3ccncc3)ccc21 ZINC000364383282 429194765 /nfs/dbraw/zinc/19/47/65/429194765.db2.gz IESKHOZXBIKADQ-SFHVURJKSA-N 1 0 319.412 2.676 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365256886 429289138 /nfs/dbraw/zinc/28/91/38/429289138.db2.gz PNIVACQOEKCDJF-KUHUBIRLSA-N 1 0 313.397 2.786 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)C[C@@H]3CCOC3)CC2)cc1 ZINC000365720177 429363164 /nfs/dbraw/zinc/36/31/64/429363164.db2.gz SZZVVBAOQTZXRO-HNNXBMFYSA-N 1 0 304.434 2.632 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000365846358 429385452 /nfs/dbraw/zinc/38/54/52/429385452.db2.gz IFIIJGBUXZZBOC-ZDUSSCGKSA-N 1 0 307.781 2.698 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1O ZINC000367457445 429652382 /nfs/dbraw/zinc/65/23/82/429652382.db2.gz GMVWCRDMSDNXJU-HZPDHXFCSA-N 1 0 307.365 2.877 20 10 DFCDRO COc1cccc(CNc2cc[nH+]cc2-c2cccnc2)c1O ZINC000367428955 429646322 /nfs/dbraw/zinc/64/63/22/429646322.db2.gz CYYFIAKKUBMDMF-UHFFFAOYSA-N 1 0 307.353 2.892 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c(O)c1 ZINC000368090143 429785905 /nfs/dbraw/zinc/78/59/05/429785905.db2.gz PPERHQBDLHPTOY-ZDUSSCGKSA-N 1 0 301.390 2.551 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(O)c1C ZINC000368334944 429831945 /nfs/dbraw/zinc/83/19/45/429831945.db2.gz XFOFCPVXMICYLZ-UJDVCPFMSA-N 1 0 302.418 2.669 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1N1CCOCC1)c1ccccc1O ZINC000368408312 429845121 /nfs/dbraw/zinc/84/51/21/429845121.db2.gz WPGMKYFVPSZWHP-NJAFHUGGSA-N 1 0 318.461 2.934 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1C ZINC000369278556 429922172 /nfs/dbraw/zinc/92/21/72/429922172.db2.gz RXOAZEXBVGWVBL-KRWDZBQOSA-N 1 0 316.445 2.986 20 10 DFCDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297698134 276757494 /nfs/dbraw/zinc/75/74/94/276757494.db2.gz MFOQLLVCYXYSIE-ILXRZTDVSA-N 1 0 302.418 2.616 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C)n3C2)cc1 ZINC000369453140 429946810 /nfs/dbraw/zinc/94/68/10/429946810.db2.gz SNDUAXMWHPKSJM-CJNGLKHVSA-N 1 0 313.449 2.708 20 10 DFCDRO Cc1cc(C)c2c(c1)N(C(=O)c1cccc3c1CC[NH2+]C3)CCO2 ZINC000662829460 431207373 /nfs/dbraw/zinc/20/73/73/431207373.db2.gz DXGXCZIJUAGYPF-UHFFFAOYSA-N 1 0 322.408 2.988 20 10 DFCDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000364449045 280304912 /nfs/dbraw/zinc/30/49/12/280304912.db2.gz QKNWPTVZRGHTMO-SFHVURJKSA-N 1 0 312.344 2.627 20 10 DFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1C ZINC000079639866 331682503 /nfs/dbraw/zinc/68/25/03/331682503.db2.gz ZPJDONCLIDLTDA-AWEZNQCLSA-N 1 0 316.367 2.977 20 10 DFCDRO Cc1cccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1O ZINC000293589197 335109799 /nfs/dbraw/zinc/10/97/99/335109799.db2.gz IJOSVCXEPXDEMK-KRWDZBQOSA-N 1 0 300.402 2.945 20 10 DFCDRO CC(C)(CO)[C@H]([NH2+]Cc1cc(F)ccc1O)c1cccnc1 ZINC000293666046 335114816 /nfs/dbraw/zinc/11/48/16/335114816.db2.gz OKIYTGDNHAWTQE-MRXNPFEDSA-N 1 0 304.365 2.776 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000293959118 335116262 /nfs/dbraw/zinc/11/62/62/335116262.db2.gz JGECIFHKCPBXDX-ROUUACIJSA-N 1 0 303.402 2.934 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCNC(=O)[C@@H]2CC(C)C)c1 ZINC000293821906 335117989 /nfs/dbraw/zinc/11/79/89/335117989.db2.gz FVDLFEJHFIBPNY-INIZCTEOSA-N 1 0 320.433 2.528 20 10 DFCDRO COc1ccc(OCC[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000179596448 333153094 /nfs/dbraw/zinc/15/30/94/333153094.db2.gz BQTQFMQNRBVBOM-UHFFFAOYSA-N 1 0 317.385 2.920 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(Br)cc1O ZINC000185689784 333211915 /nfs/dbraw/zinc/21/19/15/333211915.db2.gz HHXIIFLNYUHBFR-VHSXEESVSA-N 1 0 302.212 2.966 20 10 DFCDRO COc1cccc(C[NH2+]C[C@H](Cc2ccccc2)OC)c1O ZINC000294934262 335128779 /nfs/dbraw/zinc/12/87/79/335128779.db2.gz ZRITXCNZBHWDMZ-INIZCTEOSA-N 1 0 301.386 2.748 20 10 DFCDRO COC[C@H]1CCCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000364124381 333241997 /nfs/dbraw/zinc/24/19/97/333241997.db2.gz GGQQTUQTCOYMIQ-ZDUSSCGKSA-N 1 0 309.381 2.982 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)c(O)c1 ZINC000295003415 335129760 /nfs/dbraw/zinc/12/97/60/335129760.db2.gz IRDSSHLXOXFHQH-GXTWGEPZSA-N 1 0 303.349 2.675 20 10 DFCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCC(O)CC3)CC1)OCO2 ZINC000295048849 335130199 /nfs/dbraw/zinc/13/01/99/335130199.db2.gz FPZZKZFFHCZKMJ-UHFFFAOYSA-N 1 0 319.401 2.638 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]CC[C@@H](C)CCO)c1O ZINC000295209191 335130851 /nfs/dbraw/zinc/13/08/51/335130851.db2.gz ZULSCALYTLYUQV-SNVBAGLBSA-N 1 0 316.239 2.961 20 10 DFCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1C ZINC000295120808 335132372 /nfs/dbraw/zinc/13/23/72/335132372.db2.gz NGOMZOGYSWCNEJ-KRWDZBQOSA-N 1 0 303.377 2.841 20 10 DFCDRO CCC[N@H+](CCO)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295594778 335136317 /nfs/dbraw/zinc/13/63/17/335136317.db2.gz TXTLCKDYKFHWOE-UHFFFAOYSA-N 1 0 306.450 2.506 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](C)CCCCO)cc2)CC1 ZINC000295902430 335138365 /nfs/dbraw/zinc/13/83/65/335138365.db2.gz FEJDBVHRNJHWNR-UHFFFAOYSA-N 1 0 306.450 2.506 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@@H]3CO)cc2)CC1 ZINC000296005231 335139278 /nfs/dbraw/zinc/13/92/78/335139278.db2.gz NDUVAZDBUJUBNI-BEFAXECRSA-N 1 0 318.461 2.505 20 10 DFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1O ZINC000296103121 335141675 /nfs/dbraw/zinc/14/16/75/335141675.db2.gz YWURKRCFADNUJS-INTQDDNPSA-N 1 0 300.196 2.637 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)CC2 ZINC000296177039 335141987 /nfs/dbraw/zinc/14/19/87/335141987.db2.gz XXFSHTXFODMZMX-GOEBONIOSA-N 1 0 317.360 2.548 20 10 DFCDRO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ncnn1C ZINC000276414310 334077325 /nfs/dbraw/zinc/07/73/25/334077325.db2.gz BREDAMZYNHEQHR-ZETCQYMHSA-N 1 0 301.177 2.678 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c(O)c1 ZINC000277038969 334086170 /nfs/dbraw/zinc/08/61/70/334086170.db2.gz NLLDVDFJYGYLIB-UHFFFAOYSA-N 1 0 314.385 2.840 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+](CC2CCC2)[C@H](C)CO)c1O ZINC000280231073 334115658 /nfs/dbraw/zinc/11/56/58/334115658.db2.gz AJWOZGOYHSMKEW-LLVKDONJSA-N 1 0 309.381 2.717 20 10 DFCDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000290217991 334171604 /nfs/dbraw/zinc/17/16/04/334171604.db2.gz QOFIBSWZUQFGAO-SKDZVZGDSA-N 1 0 322.424 2.880 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCn3ccnc3C2)c1O ZINC000366741227 334464214 /nfs/dbraw/zinc/46/42/14/334464214.db2.gz AZGCSMSTENVWKG-GFCCVEGCSA-N 1 0 305.809 2.903 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCn3ccnc3C2)c1O ZINC000366746909 334475417 /nfs/dbraw/zinc/47/54/17/334475417.db2.gz SJDGSBCCJUXBFC-NSHDSACASA-N 1 0 321.808 2.603 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c(O)c1 ZINC000192839372 336265550 /nfs/dbraw/zinc/26/55/50/336265550.db2.gz ZVTCDMXDALZMIS-AWEZNQCLSA-N 1 0 304.434 2.998 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000192914447 336284219 /nfs/dbraw/zinc/28/42/19/336284219.db2.gz MZRADFYJQUFRJE-IUODEOHRSA-N 1 0 304.390 2.947 20 10 DFCDRO COC[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000371797141 336913345 /nfs/dbraw/zinc/91/33/45/336913345.db2.gz ROJULSDZVAUWCQ-LBPRGKRZSA-N 1 0 314.376 2.881 20 10 DFCDRO CN1CCc2cc(C[NH2+]C[C@@]3(C)CCO[C@@H]3C3CC3)ccc21 ZINC000372069328 336921307 /nfs/dbraw/zinc/92/13/07/336921307.db2.gz YLHYBPHGNJNYAR-RTBURBONSA-N 1 0 300.446 2.974 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CC3(OC)CCC3)CC2)cc1 ZINC000372980356 336944125 /nfs/dbraw/zinc/94/41/25/336944125.db2.gz VFZLOLJSWGOHMR-UHFFFAOYSA-N 1 0 304.434 2.823 20 10 DFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)[C@H]1C ZINC000373400329 336959170 /nfs/dbraw/zinc/95/91/70/336959170.db2.gz PRAFEPAQEIAAOV-QRTARXTBSA-N 1 0 316.445 2.746 20 10 DFCDRO O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccc(N2CCCC2)cc1 ZINC000373514000 336963447 /nfs/dbraw/zinc/96/34/47/336963447.db2.gz DXPSSAGVMHYXNY-MRXNPFEDSA-N 1 0 315.461 2.683 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)CC2 ZINC000373848189 336974408 /nfs/dbraw/zinc/97/44/08/336974408.db2.gz BELKQKDXMVUIKI-ZFWWWQNUSA-N 1 0 314.433 2.910 20 10 DFCDRO O=C1C[C@H]([NH2+]Cc2ccccc2O)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000374156543 336982652 /nfs/dbraw/zinc/98/26/52/336982652.db2.gz HGBGRBLTMQMZOT-OKZBNKHCSA-N 1 0 322.408 2.639 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000374808909 336997451 /nfs/dbraw/zinc/99/74/51/336997451.db2.gz OQTSIEDQUIPXGC-RHSMWYFYSA-N 1 0 315.461 2.995 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000375300744 337007461 /nfs/dbraw/zinc/00/74/61/337007461.db2.gz CMENRGSLZSDXQY-YQVWRLOYSA-N 1 0 315.461 2.851 20 10 DFCDRO Cc1cc(C)n2c(C[NH2+]Cc3ccc4c(c3)CCN4C)cnc2n1 ZINC000375322396 337008078 /nfs/dbraw/zinc/00/80/78/337008078.db2.gz YIAJEZUVBAYTOS-UHFFFAOYSA-N 1 0 321.428 2.628 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@](C)(O)C(C)C)CC2)cc1 ZINC000305139288 337014881 /nfs/dbraw/zinc/01/48/81/337014881.db2.gz PPENGSJORLQBSZ-SFHVURJKSA-N 1 0 306.450 2.661 20 10 DFCDRO CC1(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)COC1 ZINC000375769521 337019258 /nfs/dbraw/zinc/01/92/58/337019258.db2.gz QQYARMSCWHNOPG-HNNXBMFYSA-N 1 0 324.852 2.636 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c1O ZINC000375842991 337021138 /nfs/dbraw/zinc/02/11/38/337021138.db2.gz AEZLJMDLWVGQCS-HNNXBMFYSA-N 1 0 301.390 2.780 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCn3ccnc3C2)c(O)c1 ZINC000376109989 337027265 /nfs/dbraw/zinc/02/72/65/337027265.db2.gz FTTYGCQCJWNUBZ-CQSZACIVSA-N 1 0 315.417 2.730 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccncn2)C1)c1ccccc1O ZINC000376323015 337031380 /nfs/dbraw/zinc/03/13/80/337031380.db2.gz SKBZWRAIARIONQ-ZBFHGGJFSA-N 1 0 312.417 2.892 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1 ZINC000377539241 337054569 /nfs/dbraw/zinc/05/45/69/337054569.db2.gz CMCYMOMCISBGKN-PZMTTYODSA-N 1 0 321.417 2.730 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1 ZINC000377539242 337054597 /nfs/dbraw/zinc/05/45/97/337054597.db2.gz CMCYMOMCISBGKN-WIRVQXDCSA-N 1 0 321.417 2.730 20 10 DFCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C2 ZINC000377644778 337057347 /nfs/dbraw/zinc/05/73/47/337057347.db2.gz HEEOMHUMLXPEHP-OAHLLOKOSA-N 1 0 314.408 2.637 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@H+](C)C[C@H]2CCc3nccn3C2)c1 ZINC000377687670 337058332 /nfs/dbraw/zinc/05/83/32/337058332.db2.gz ALVGWGXUTZDZCW-UONOGXRCSA-N 1 0 315.417 2.853 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2nnc(C)o2)C1 ZINC000377713716 337059370 /nfs/dbraw/zinc/05/93/70/337059370.db2.gz AKUKRIQPSWLMPE-UKRRQHHQSA-N 1 0 303.362 2.608 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000378520980 337075059 /nfs/dbraw/zinc/07/50/59/337075059.db2.gz OKBYAIAVQYLPRH-GOSISDBHSA-N 1 0 301.361 2.933 20 10 DFCDRO COc1cc(Cl)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000228666646 337078087 /nfs/dbraw/zinc/07/80/87/337078087.db2.gz QBRZRMAJNVXBTN-FZMZJTMJSA-N 1 0 310.825 2.723 20 10 DFCDRO Cc1cccc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000179859466 337172208 /nfs/dbraw/zinc/17/22/08/337172208.db2.gz MDGYXWIPFAVWBB-SOLBZPMBSA-N 1 0 318.461 2.774 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)ccc1O ZINC000185553377 337249016 /nfs/dbraw/zinc/24/90/16/337249016.db2.gz TYFOKIBKFPOAKW-TZMCWYRMSA-N 1 0 318.396 2.584 20 10 DFCDRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)CC2 ZINC000185997574 337252477 /nfs/dbraw/zinc/25/24/77/337252477.db2.gz JWSNGWWPPJDTFU-YPMHNXCESA-N 1 0 318.396 2.912 20 10 DFCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ncc[nH]2)C1 ZINC000113359322 337391028 /nfs/dbraw/zinc/39/10/28/337391028.db2.gz OFSBMYMWRLTIFK-AWEZNQCLSA-N 1 0 320.824 2.523 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529366651 340753500 /nfs/dbraw/zinc/75/35/00/340753500.db2.gz OBYHPGNRSLBSFS-MRXNPFEDSA-N 1 0 317.433 2.598 20 10 DFCDRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ccccc2O)cc1 ZINC000527772549 518151501 /nfs/dbraw/zinc/15/15/01/518151501.db2.gz LARWTEIYBBVDPB-KRWDZBQOSA-N 1 0 312.413 2.765 20 10 DFCDRO CCCNC(=O)C1CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000179919831 519866965 /nfs/dbraw/zinc/86/69/65/519866965.db2.gz KONDFJVYVSLPBU-UHFFFAOYSA-N 1 0 320.433 2.529 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCCN(CCC)C(=O)C2)c(O)c1 ZINC000189218059 520347570 /nfs/dbraw/zinc/34/75/70/520347570.db2.gz HBHGZOONNYSROW-UHFFFAOYSA-N 1 0 320.433 2.625 20 10 DFCDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(N)cc1)CC(C)C ZINC000236825531 520832443 /nfs/dbraw/zinc/83/24/43/520832443.db2.gz JKYDTCFBXOIXTQ-QGZVFWFLSA-N 1 0 305.466 2.684 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000269352387 520903719 /nfs/dbraw/zinc/90/37/19/520903719.db2.gz OESLTJLEZDGVEZ-GOSISDBHSA-N 1 0 303.450 2.539 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H]3CCC[C@@H]3[C@@H]2C(=O)OC)c1 ZINC000191676729 521146240 /nfs/dbraw/zinc/14/62/40/521146240.db2.gz TWEJGVJLGHGYTD-ISTRZQFTSA-N 1 0 319.401 2.564 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000128521449 521148988 /nfs/dbraw/zinc/14/89/88/521148988.db2.gz PPMSGQFCHQVKCR-CYBMUJFWSA-N 1 0 301.390 2.514 20 10 DFCDRO CCOc1cccc(C[N@H+](CC)C[C@H](O)C(F)(F)F)c1O ZINC000189871154 521334107 /nfs/dbraw/zinc/33/41/07/521334107.db2.gz PEZFRVFZCPPYIN-LBPRGKRZSA-N 1 0 307.312 2.536 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H]3[C@@H]2C(=O)OC)c1O ZINC000191677698 521344213 /nfs/dbraw/zinc/34/42/13/521344213.db2.gz IIZYAVGGWSQRRI-IVMMDQJWSA-N 1 0 319.401 2.564 20 10 DFCDRO CCN1CCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000156568720 521658417 /nfs/dbraw/zinc/65/84/17/521658417.db2.gz OYPXALQQNJNJNP-SFHVURJKSA-N 1 0 317.477 2.738 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1F ZINC000128420611 522180788 /nfs/dbraw/zinc/18/07/88/522180788.db2.gz ZRDQOCFWMZBZRI-CQSZACIVSA-N 1 0 302.397 2.615 20 10 DFCDRO COC[C@](C)(CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000267409274 522881051 /nfs/dbraw/zinc/88/10/51/522881051.db2.gz ZFGYVBAPILJZIB-IBGZPJMESA-N 1 0 315.413 2.936 20 10 DFCDRO CN(c1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1)C1CCCCC1 ZINC000166471759 523637657 /nfs/dbraw/zinc/63/76/57/523637657.db2.gz VWQALXBVUGICSF-SFHVURJKSA-N 1 0 315.461 2.824 20 10 DFCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)c(C)n1-c1cccc(C)c1 ZINC000237821730 524088899 /nfs/dbraw/zinc/08/88/99/524088899.db2.gz AMIQPYBKXXWBDX-GOSISDBHSA-N 1 0 311.429 2.870 20 10 DFCDRO Cc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000237755240 524124561 /nfs/dbraw/zinc/12/45/61/524124561.db2.gz MGSBPSYAIJKDNH-KRWDZBQOSA-N 1 0 315.392 2.700 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000366358960 524216821 /nfs/dbraw/zinc/21/68/21/524216821.db2.gz UIFQMJBNBUANAL-PKOBYXMFSA-N 1 0 323.440 2.918 20 10 DFCDRO Cc1cccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000182101797 524434769 /nfs/dbraw/zinc/43/47/69/524434769.db2.gz BFYGOBGVANBONT-HRAATJIYSA-N 1 0 303.427 2.910 20 10 DFCDRO COc1ccc(O)c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000179957424 524738244 /nfs/dbraw/zinc/73/82/44/524738244.db2.gz QKGRAJDGJOLPDM-MRXNPFEDSA-N 1 0 304.434 2.851 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1O ZINC000180454254 524867044 /nfs/dbraw/zinc/86/70/44/524867044.db2.gz OFQXLGLKTPCAOE-CQSZACIVSA-N 1 0 324.852 2.508 20 10 DFCDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000181289139 525304661 /nfs/dbraw/zinc/30/46/61/525304661.db2.gz VYVTWQHTLBEJNB-HNNXBMFYSA-N 1 0 315.461 2.854 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1C ZINC000266186361 525322487 /nfs/dbraw/zinc/32/24/87/525322487.db2.gz HFJHFPYQUZKUOG-SFHVURJKSA-N 1 0 324.424 2.900 20 10 DFCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cc2ccc(N)cc2)C1 ZINC000237714402 525379591 /nfs/dbraw/zinc/37/95/91/525379591.db2.gz BRFVNMIMGOCLLN-GASCZTMLSA-N 1 0 317.477 2.684 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(Br)cc1O ZINC000189322055 525421561 /nfs/dbraw/zinc/42/15/61/525421561.db2.gz VXNBFVKLCMMWKZ-NHCYSSNCSA-N 1 0 314.223 2.966 20 10 DFCDRO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268895681 525493082 /nfs/dbraw/zinc/49/30/82/525493082.db2.gz PBZHHJVOCVNZCE-DYVFJYSZSA-N 1 0 324.440 2.720 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000156451392 525502218 /nfs/dbraw/zinc/50/22/18/525502218.db2.gz GLINZNJRGXWMTP-GDBMZVCRSA-N 1 0 322.424 2.882 20 10 DFCDRO COc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)c1O ZINC000365164732 526035021 /nfs/dbraw/zinc/03/50/21/526035021.db2.gz RVFSMXBHLLVTEE-YJBOKZPZSA-N 1 0 313.397 2.786 20 10 DFCDRO COc1cccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000154705716 526036007 /nfs/dbraw/zinc/03/60/07/526036007.db2.gz AUHRJELPZSDSEQ-QRQCRPRQSA-N 1 0 319.426 2.610 20 10 DFCDRO Cc1cc(C(=O)N2CCC([NH3+])CC2)c(C)n1-c1ccc(F)cc1 ZINC000157643950 526238320 /nfs/dbraw/zinc/23/83/20/526238320.db2.gz JRDXETGEGDPSEU-UHFFFAOYSA-N 1 0 315.392 2.797 20 10 DFCDRO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000182943133 526334672 /nfs/dbraw/zinc/33/46/72/526334672.db2.gz XVUPLQILBFQKNV-QGZVFWFLSA-N 1 0 313.397 2.928 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]CCOCC1CC1 ZINC000224527895 526342499 /nfs/dbraw/zinc/34/24/99/526342499.db2.gz LNYYWODFGVJAIP-UHFFFAOYSA-N 1 0 300.196 2.671 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365940052 526346436 /nfs/dbraw/zinc/34/64/36/526346436.db2.gz GEIAJGSKTWORJK-UHFFFAOYSA-N 1 0 319.792 2.879 20 10 DFCDRO O=C(CC[NH2+]Cc1c(O)cccc1Cl)N1CCCCCC1 ZINC000113331481 526511661 /nfs/dbraw/zinc/51/16/61/526511661.db2.gz UJWWILPJXCLYQC-UHFFFAOYSA-N 1 0 310.825 2.928 20 10 DFCDRO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000180115069 526760242 /nfs/dbraw/zinc/76/02/42/526760242.db2.gz KLVKOUZNTDOZBB-CQSZACIVSA-N 1 0 318.396 2.652 20 10 DFCDRO O=C1CCCN1C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000132007560 526973938 /nfs/dbraw/zinc/97/39/38/526973938.db2.gz KPIXFKUVWCFBQB-UHFFFAOYSA-N 1 0 308.809 2.632 20 10 DFCDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000264942641 527437856 /nfs/dbraw/zinc/43/78/56/527437856.db2.gz HBDPBHSUGZSLPW-ZDUSSCGKSA-N 1 0 304.413 2.823 20 10 DFCDRO OC[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000183015883 527589962 /nfs/dbraw/zinc/58/99/62/527589962.db2.gz ASKQSPKDHLXOKU-KRWDZBQOSA-N 1 0 313.397 2.928 20 10 DFCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCOC3)C2)cc1 ZINC000363991309 527696315 /nfs/dbraw/zinc/69/63/15/527696315.db2.gz UTLUGAYOKPWIPY-OLZOCXBDSA-N 1 0 312.360 2.635 20 10 DFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2O)C[C@@H]1C ZINC000289450145 535563616 /nfs/dbraw/zinc/56/36/16/535563616.db2.gz NCPDANJGYYEPCM-AEGPPILISA-N 1 0 321.417 2.858 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H](OCC)[C@]23CCCO3)c1 ZINC000273570089 535753057 /nfs/dbraw/zinc/75/30/57/535753057.db2.gz GHYYKHJKEVMPSR-SQNIBIBYSA-N 1 0 321.417 2.607 20 10 DFCDRO CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1[O-] ZINC000285510033 535803743 /nfs/dbraw/zinc/80/37/43/535803743.db2.gz AOQTUEGRVSBBQK-QGZVFWFLSA-N 1 0 323.456 2.600 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1F ZINC000274438511 536147386 /nfs/dbraw/zinc/14/73/86/536147386.db2.gz BESWWEMYKLKNFN-UHFFFAOYSA-N 1 0 324.465 2.990 20 10 DFCDRO COC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273399908 536412551 /nfs/dbraw/zinc/41/25/51/536412551.db2.gz MWWFPZCNQKWQJQ-CYBMUJFWSA-N 1 0 306.406 2.890 20 10 DFCDRO COc1ccc(N2CC[NH+](CC3(SC)CC3)CC2)cc1F ZINC000289324353 536696846 /nfs/dbraw/zinc/69/68/46/536696846.db2.gz UDEPWXKLPDCRAO-UHFFFAOYSA-N 1 0 310.438 2.852 20 10 DFCDRO Cc1cc(C)c(O)c(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826263987 607845519 /nfs/dbraw/zinc/84/55/19/607845519.db2.gz YFSXPRMZRJEPEZ-UHFFFAOYSA-N 1 0 323.400 2.821 20 10 DFCDRO Cc1ccc(O)c(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826291451 608525265 /nfs/dbraw/zinc/52/52/65/608525265.db2.gz GONMNRVKQWPRCB-UHFFFAOYSA-N 1 0 309.373 2.513 20 10 DFCDRO CC[NH+]1CCC(CCNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000074713931 185011519 /nfs/dbraw/zinc/01/15/19/185011519.db2.gz ATUKPEPJZLREDL-UHFFFAOYSA-N 1 0 319.449 2.656 20 10 DFCDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469368 185172745 /nfs/dbraw/zinc/17/27/45/185172745.db2.gz SPLLYGZKXWDWJF-CQSZACIVSA-N 1 0 322.424 2.898 20 10 DFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092710454 185335914 /nfs/dbraw/zinc/33/59/14/185335914.db2.gz KTRIDRCBXKBFBG-HNNXBMFYSA-N 1 0 304.434 2.829 20 10 DFCDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCCCc4ccccc43)c21 ZINC000592495108 398433787 /nfs/dbraw/zinc/43/37/87/398433787.db2.gz FIXITYFHZZNRRJ-HNNXBMFYSA-N 1 0 324.428 2.702 20 10 DFCDRO Cc1noc(C2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000131685070 282394306 /nfs/dbraw/zinc/39/43/06/282394306.db2.gz AYWKNMDXZFYBGU-UHFFFAOYSA-N 1 0 318.396 2.963 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1O ZINC000093585492 398641522 /nfs/dbraw/zinc/64/15/22/398641522.db2.gz FAPOKCGOEDLCPO-QAPCUYQASA-N 1 0 305.418 2.918 20 10 DFCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC000093613065 398642144 /nfs/dbraw/zinc/64/21/44/398642144.db2.gz HEDOOGVOUZXOON-ZWKOTPCHSA-N 1 0 318.461 2.505 20 10 DFCDRO CC(C)OC(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072629274 191204259 /nfs/dbraw/zinc/20/42/59/191204259.db2.gz XLKGOAYFNJVMMU-MRXNPFEDSA-N 1 0 321.417 2.715 20 10 DFCDRO C[N@H+](CCC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000072981097 191262942 /nfs/dbraw/zinc/26/29/42/191262942.db2.gz WHAPLEWIJJFUBQ-UHFFFAOYSA-N 1 0 302.340 2.907 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792236 191361620 /nfs/dbraw/zinc/36/16/20/191361620.db2.gz HIIGTSBWGZHGCU-MQVJKMGUSA-N 1 0 317.433 2.549 20 10 DFCDRO CCC[NH2+]CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000236836084 202032253 /nfs/dbraw/zinc/03/22/53/202032253.db2.gz FGDCALONCPRJOY-UHFFFAOYSA-N 1 0 317.408 2.963 20 10 DFCDRO C/C=C(\C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000081751963 192320575 /nfs/dbraw/zinc/32/05/75/192320575.db2.gz QBLBGCSMEKBURO-LNKIKWGQSA-N 1 0 319.424 2.550 20 10 DFCDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000079434317 399043488 /nfs/dbraw/zinc/04/34/88/399043488.db2.gz YUTLSLNBRFLLGA-HOTGVXAUSA-N 1 0 309.381 2.859 20 10 DFCDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000092103714 193159325 /nfs/dbraw/zinc/15/93/25/193159325.db2.gz RHJDDDRBZFOLHA-UHFFFAOYSA-N 1 0 317.477 2.881 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000185028861 296147299 /nfs/dbraw/zinc/14/72/99/296147299.db2.gz AJNNHFRQZSZXMK-LSDHHAIUSA-N 1 0 318.461 2.642 20 10 DFCDRO CCOC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000019231430 182109751 /nfs/dbraw/zinc/10/97/51/182109751.db2.gz YVIFSLLVAZZZRA-UHFFFAOYSA-N 1 0 312.797 2.756 20 10 DFCDRO COc1cccc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1O ZINC000105436007 194105067 /nfs/dbraw/zinc/10/50/67/194105067.db2.gz YUVBFZPINJHPAT-UHFFFAOYSA-N 1 0 324.421 2.747 20 10 DFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C=C(C)C)cc2F)CC1 ZINC000106702436 194245248 /nfs/dbraw/zinc/24/52/48/194245248.db2.gz CHIVFULTGRUVQN-UHFFFAOYSA-N 1 0 319.424 2.550 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1O ZINC000060358330 184146754 /nfs/dbraw/zinc/14/67/54/184146754.db2.gz UIOOXBQBRZJJPS-OAHLLOKOSA-N 1 0 305.349 2.753 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)cc1 ZINC000271515149 129927598 /nfs/dbraw/zinc/92/75/98/129927598.db2.gz PNGSJCHTOPNZDV-RDTXWAMCSA-N 1 0 306.450 2.581 20 10 DFCDRO CN(C)C(=O)CC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000272739401 130059947 /nfs/dbraw/zinc/05/99/47/130059947.db2.gz AUOUPBAJAZOTFJ-UHFFFAOYSA-N 1 0 310.825 2.736 20 10 DFCDRO Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(O)c1O ZINC000272815744 130066491 /nfs/dbraw/zinc/06/64/91/130066491.db2.gz NZCMOZIESAFGKW-ZDUSSCGKSA-N 1 0 320.414 2.500 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000273084320 130088415 /nfs/dbraw/zinc/08/84/15/130088415.db2.gz RJRPFOJUGUYMHQ-SJORKVTESA-N 1 0 307.365 2.781 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000273361032 130110880 /nfs/dbraw/zinc/11/08/80/130110880.db2.gz AHPQAOQOJZFGPG-MRXNPFEDSA-N 1 0 318.461 2.996 20 10 DFCDRO C[C@H](CCO)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273587151 130140158 /nfs/dbraw/zinc/14/01/58/130140158.db2.gz OCOWWPNGCRRQEO-NXEZZACHSA-N 1 0 302.212 2.824 20 10 DFCDRO C[C@@H]([NH2+]CCC(C)(C)O)c1cc(Br)ccc1O ZINC000274749026 130258384 /nfs/dbraw/zinc/25/83/84/130258384.db2.gz AHRUQGAAQRHAMP-SECBINFHSA-N 1 0 302.212 2.966 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)c(O)c1C ZINC000274800260 130262449 /nfs/dbraw/zinc/26/24/49/130262449.db2.gz QWGQPINBMBSABG-CQSZACIVSA-N 1 0 313.463 2.875 20 10 DFCDRO CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275106727 130292086 /nfs/dbraw/zinc/29/20/86/130292086.db2.gz DQWSTYJDCOWGFH-ONGXEEELSA-N 1 0 302.212 2.885 20 10 DFCDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000275352552 130307337 /nfs/dbraw/zinc/30/73/37/130307337.db2.gz UGLZMXDKNLHKSU-YJBOKZPZSA-N 1 0 315.417 2.671 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](c3cncn3C)C2)cc1C ZINC000275537975 130332080 /nfs/dbraw/zinc/33/20/80/130332080.db2.gz MKKYGVKIJQPEDS-CRAIPNDOSA-N 1 0 315.417 2.752 20 10 DFCDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cc(C)ccc1O ZINC000284504633 131087435 /nfs/dbraw/zinc/08/74/35/131087435.db2.gz CSQSVQICQKGQKX-SOLBZPMBSA-N 1 0 305.418 2.717 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2C[C@@H](COC)OC(C)(C)C2)c(O)c1 ZINC000284571671 131093544 /nfs/dbraw/zinc/09/35/44/131093544.db2.gz OGPVPVRGWLYICL-INIZCTEOSA-N 1 0 323.433 2.807 20 10 DFCDRO Cc1cccc(C[NH2+][C@@H](c2nccn2C)C2CCOCC2)c1O ZINC000284699449 131104973 /nfs/dbraw/zinc/10/49/73/131104973.db2.gz QNSYJGRZURPMFQ-MRXNPFEDSA-N 1 0 315.417 2.692 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c(O)c1 ZINC000285092805 131137555 /nfs/dbraw/zinc/13/75/55/131137555.db2.gz KBFVUSRMHSGZJB-ZDUSSCGKSA-N 1 0 313.463 2.873 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)cc1F ZINC000285090621 131138139 /nfs/dbraw/zinc/13/81/39/131138139.db2.gz QDMWXKVQVUTSNF-FUHWJXTLSA-N 1 0 315.392 2.907 20 10 DFCDRO OCCC1([NH2+]Cc2cc(Br)ccc2O)CCCC1 ZINC000285473984 131171408 /nfs/dbraw/zinc/17/14/08/131171408.db2.gz KULXHHPGNGAKPZ-UHFFFAOYSA-N 1 0 314.223 2.940 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1O ZINC000285569748 131182133 /nfs/dbraw/zinc/18/21/33/131182133.db2.gz UBFHDQRWRVYDSQ-CXAGYDPISA-N 1 0 320.433 2.574 20 10 DFCDRO C[C@@H]([NH2+]Cc1cnnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000287522542 131285187 /nfs/dbraw/zinc/28/51/87/131285187.db2.gz ZURBXNGVWDOLCG-CYBMUJFWSA-N 1 0 317.412 2.795 20 10 DFCDRO C[C@H](NC(=O)c1cccc(O)c1O)[C@@H](c1ccccc1)[NH+](C)C ZINC000287974991 131309327 /nfs/dbraw/zinc/30/93/27/131309327.db2.gz TYAYVADLIPFBHG-LRDDRELGSA-N 1 0 314.385 2.519 20 10 DFCDRO COCCN(Cc1cccnc1)Cc1ccc(N(C)C)c(F)c1 ZINC000289527976 131393800 /nfs/dbraw/zinc/39/38/00/131393800.db2.gz VXOWBMAFUJLRTE-UHFFFAOYSA-N 1 0 317.408 2.935 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000289538069 131394919 /nfs/dbraw/zinc/39/49/19/131394919.db2.gz WOGKJDVZGUHPJD-LLVKDONJSA-N 1 0 303.358 2.966 20 10 DFCDRO COCC(C)(C)C[NH2+]Cc1cc(Br)ccc1O ZINC000289565447 131395974 /nfs/dbraw/zinc/39/59/74/131395974.db2.gz JHHYPTJOPLUUAP-UHFFFAOYSA-N 1 0 302.212 2.917 20 10 DFCDRO O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293009962 131699965 /nfs/dbraw/zinc/69/99/65/131699965.db2.gz NXRVGOJSBQZQIZ-UHFFFAOYSA-N 1 0 307.394 2.656 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]CC1(N3CCCC3)CCOCC1)CC2 ZINC000297913780 132040023 /nfs/dbraw/zinc/04/00/23/132040023.db2.gz WSPGSMZHLROQKC-MRXNPFEDSA-N 1 0 316.445 2.614 20 10 DFCDRO CN(C(=O)C[NH2+][C@H]1CCc2cccc(O)c21)C1CCCCC1 ZINC000297931199 132041214 /nfs/dbraw/zinc/04/12/14/132041214.db2.gz XPUZBPGLRQOZII-HNNXBMFYSA-N 1 0 302.418 2.760 20 10 DFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000125963602 425998414 /nfs/dbraw/zinc/99/84/14/425998414.db2.gz SULGMNNXJXSAGP-KGLIPLIRSA-N 1 0 308.397 2.713 20 10 DFCDRO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccccc1O ZINC000109768906 426032316 /nfs/dbraw/zinc/03/23/16/426032316.db2.gz UUFRWSXUKVITPV-IIAWOOMASA-N 1 0 304.434 2.907 20 10 DFCDRO Cc1nc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)sc1C ZINC000109773170 426032712 /nfs/dbraw/zinc/03/27/12/426032712.db2.gz XBJBYJBEIZAOBQ-NSHDSACASA-N 1 0 319.430 2.925 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000162654897 426072077 /nfs/dbraw/zinc/07/20/77/426072077.db2.gz DUKZNPQGZWSSJZ-UHFFFAOYSA-N 1 0 316.445 2.925 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c1O ZINC000074334945 426046367 /nfs/dbraw/zinc/04/63/67/426046367.db2.gz JETABENMUGJPHB-AWEZNQCLSA-N 1 0 304.390 2.776 20 10 DFCDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccccc1O ZINC000111394136 426048962 /nfs/dbraw/zinc/04/89/62/426048962.db2.gz BLUFEICXUALBNL-UHFFFAOYSA-N 1 0 324.380 2.558 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1F ZINC000113318431 426111710 /nfs/dbraw/zinc/11/17/10/426111710.db2.gz UPUCDJLGJXXAEY-KRWDZBQOSA-N 1 0 306.356 2.854 20 10 DFCDRO C[C@@H]1CN(CCC[NH2+]Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000113317011 426112161 /nfs/dbraw/zinc/11/21/61/426112161.db2.gz QUNXTYJOOCTBRJ-CHWSQXEVSA-N 1 0 312.841 2.635 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1F ZINC000113313148 426112200 /nfs/dbraw/zinc/11/22/00/426112200.db2.gz WQJCZLHOZZVDMQ-INIZCTEOSA-N 1 0 305.397 2.877 20 10 DFCDRO COc1ccccc1[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000113326165 426112519 /nfs/dbraw/zinc/11/25/19/426112519.db2.gz CJYANKISGACNJT-HNNXBMFYSA-N 1 0 307.777 2.877 20 10 DFCDRO CC[C@H]([NH2+][C@H](C)CO[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000166463396 426126665 /nfs/dbraw/zinc/12/66/65/426126665.db2.gz JFSOWKLATPPSNR-OLMNPRSZSA-N 1 0 306.450 2.987 20 10 DFCDRO CC[C@H](CCO)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000166791485 426130251 /nfs/dbraw/zinc/13/02/51/426130251.db2.gz FSOCOUSFTNSOQW-OAHLLOKOSA-N 1 0 306.450 2.662 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000167859578 426133145 /nfs/dbraw/zinc/13/31/45/426133145.db2.gz NJPDFCGWAQGWGL-DLBZAZTESA-N 1 0 315.461 2.667 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC2(C)C)cc1 ZINC000171067049 426167349 /nfs/dbraw/zinc/16/73/49/426167349.db2.gz KYCBHTUJMQXRTM-UHFFFAOYSA-N 1 0 303.450 2.585 20 10 DFCDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000171415019 426189517 /nfs/dbraw/zinc/18/95/17/426189517.db2.gz QBZGMDHTYLTUDC-RHSMWYFYSA-N 1 0 303.450 2.537 20 10 DFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000174373158 426255288 /nfs/dbraw/zinc/25/52/88/426255288.db2.gz ALCOMQSEUFMZQL-ZDUSSCGKSA-N 1 0 317.389 2.928 20 10 DFCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ncc[nH]3)C2)cc1 ZINC000174621538 426261383 /nfs/dbraw/zinc/26/13/83/426261383.db2.gz HDPVQEUAQUIXNE-LBPRGKRZSA-N 1 0 322.359 2.770 20 10 DFCDRO c1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc2c1OCC2 ZINC000151385043 426292322 /nfs/dbraw/zinc/29/23/22/426292322.db2.gz RABURFXHRCHHPW-DOTOQJQBSA-N 1 0 305.443 2.766 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc2ccccc2c1O ZINC000175423176 426303578 /nfs/dbraw/zinc/30/35/78/426303578.db2.gz LZVXUXLZJMQZAM-DZGCQCFKSA-N 1 0 300.402 2.527 20 10 DFCDRO CC[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[NH+](C)C ZINC000119966936 426304708 /nfs/dbraw/zinc/30/47/08/426304708.db2.gz IZSMGRRCBXVKOA-GOSISDBHSA-N 1 0 317.477 2.879 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000120580108 426312092 /nfs/dbraw/zinc/31/20/92/426312092.db2.gz WHDCJOSFJIONHJ-GFCCVEGCSA-N 1 0 303.793 2.809 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)CSC)cc1F ZINC000152294749 426336600 /nfs/dbraw/zinc/33/66/00/426336600.db2.gz AZGMSGZFMCMIGS-INIZCTEOSA-N 1 0 314.470 2.876 20 10 DFCDRO CC[C@H]([NH2+]CCCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000151194611 426283132 /nfs/dbraw/zinc/28/31/32/426283132.db2.gz BVGLFNAJUJFRKX-SFHVURJKSA-N 1 0 305.466 2.516 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000093589009 426356174 /nfs/dbraw/zinc/35/61/74/426356174.db2.gz PZYTWUBQRISJHG-UHFFFAOYSA-N 1 0 316.445 2.668 20 10 DFCDRO Oc1cc2c(cc1CN1CCC[C@H]([NH+]3CCCC3)CC1)OCO2 ZINC000153466622 426387454 /nfs/dbraw/zinc/38/74/54/426387454.db2.gz OCODKVLNDMPQCQ-HNNXBMFYSA-N 1 0 318.417 2.571 20 10 DFCDRO C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccccc1O ZINC000154006080 426418969 /nfs/dbraw/zinc/41/89/69/426418969.db2.gz SZYWAVMQCLLHLE-CYBMUJFWSA-N 1 0 300.406 2.603 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000176925506 426425743 /nfs/dbraw/zinc/42/57/43/426425743.db2.gz QGLTVSPKVXOPEZ-UHFFFAOYSA-N 1 0 315.461 2.587 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000123743777 426451092 /nfs/dbraw/zinc/45/10/92/426451092.db2.gz YWGGVERECUYGOD-JSGCOSHPSA-N 1 0 319.323 2.679 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(OC)CC2)cc1OC ZINC000280253986 426532180 /nfs/dbraw/zinc/53/21/80/426532180.db2.gz LIWDFLJHRKAZDJ-KRWDZBQOSA-N 1 0 309.406 2.800 20 10 DFCDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186498189 426539954 /nfs/dbraw/zinc/53/99/54/426539954.db2.gz NZICAOLYHPCDLG-YMBFEGSUSA-N 1 0 322.424 2.640 20 10 DFCDRO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c(O)c1O ZINC000177660453 426502393 /nfs/dbraw/zinc/50/23/93/426502393.db2.gz ZFTBUDKFAADHKN-GFCCVEGCSA-N 1 0 320.414 2.500 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC000280128654 426503097 /nfs/dbraw/zinc/50/30/97/426503097.db2.gz CGUVAQCCKLXXFF-SFHVURJKSA-N 1 0 321.417 2.561 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000280411678 426570747 /nfs/dbraw/zinc/57/07/47/426570747.db2.gz HYRZHUSCEQYYPE-SUNYJGFJSA-N 1 0 321.417 2.559 20 10 DFCDRO COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000222080352 426581459 /nfs/dbraw/zinc/58/14/59/426581459.db2.gz KQQRLHVDVIRPJC-GFCCVEGCSA-N 1 0 324.421 2.794 20 10 DFCDRO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000224791448 426594197 /nfs/dbraw/zinc/59/41/97/426594197.db2.gz BUZVKXSKZLEIMJ-AWEZNQCLSA-N 1 0 306.406 2.800 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccnc2OC)c1O ZINC000228670897 426634471 /nfs/dbraw/zinc/63/44/71/426634471.db2.gz QMFNAUGDOLHHIZ-UHFFFAOYSA-N 1 0 308.765 2.748 20 10 DFCDRO CO[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000234885076 426658594 /nfs/dbraw/zinc/65/85/94/426658594.db2.gz KLQOMPGWVZCZCS-LBPRGKRZSA-N 1 0 300.196 2.684 20 10 DFCDRO Cc1cc(/C=C/C(=O)N2CC[C@H](C[NH3+])C2)c(C)n1-c1ccccc1 ZINC000178585280 426659037 /nfs/dbraw/zinc/65/90/37/426659037.db2.gz GYAYMRSJJYXYEZ-KBOKABMXSA-N 1 0 323.440 2.915 20 10 DFCDRO CCOc1cccc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000289626219 426670240 /nfs/dbraw/zinc/67/02/40/426670240.db2.gz LUECUPVZCUCABI-HOCLYGCPSA-N 1 0 304.434 2.850 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](c2nncn2C)C(C)C)c1O ZINC000289683049 426673845 /nfs/dbraw/zinc/67/38/45/426673845.db2.gz ZTLBLWMBDNWVKC-CYBMUJFWSA-N 1 0 324.812 2.670 20 10 DFCDRO CO[C@@H](C)C[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000289866843 426675880 /nfs/dbraw/zinc/67/58/80/426675880.db2.gz VPMVRRTXPUQFQH-JTQLQIEISA-N 1 0 302.212 2.930 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000289904465 426676325 /nfs/dbraw/zinc/67/63/25/426676325.db2.gz WXYMVSAXSYDMBP-AWEZNQCLSA-N 1 0 303.324 2.980 20 10 DFCDRO CCOc1cccc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000289945018 426677418 /nfs/dbraw/zinc/67/74/18/426677418.db2.gz XKTRQJXCNRQEAQ-ZBFHGGJFSA-N 1 0 304.434 2.850 20 10 DFCDRO CCCCN(C)C[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000289982967 426678816 /nfs/dbraw/zinc/67/88/16/426678816.db2.gz BRWYKVXWOCXCNO-ZDUSSCGKSA-N 1 0 310.438 2.619 20 10 DFCDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(Br)cc1O ZINC000289982835 426679462 /nfs/dbraw/zinc/67/94/62/426679462.db2.gz XZXWGIRJELBUED-VIFPVBQESA-N 1 0 310.195 2.771 20 10 DFCDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000237311256 426689290 /nfs/dbraw/zinc/68/92/90/426689290.db2.gz FQEUYGFTTWNENF-LBPRGKRZSA-N 1 0 315.369 2.937 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)cc1F ZINC000281150434 426702986 /nfs/dbraw/zinc/70/29/86/426702986.db2.gz PAHHCIZSZJWXTC-GOSISDBHSA-N 1 0 321.440 2.630 20 10 DFCDRO COCCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290155095 426704649 /nfs/dbraw/zinc/70/46/49/426704649.db2.gz LJOCSGBSVMIEJO-UHFFFAOYSA-N 1 0 308.205 2.794 20 10 DFCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Cl)ccc1O ZINC000281184253 426705065 /nfs/dbraw/zinc/70/50/65/426705065.db2.gz XCDAFIMLKQETEG-GIGQVBGESA-N 1 0 301.839 2.997 20 10 DFCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1cc(F)ccc1O ZINC000290205313 426716260 /nfs/dbraw/zinc/71/62/60/426716260.db2.gz GXFPWOFVEHNEBG-RMLVOYDJSA-N 1 0 303.333 2.677 20 10 DFCDRO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000281453662 426719972 /nfs/dbraw/zinc/71/99/72/426719972.db2.gz DMAQYOZSSBHQAJ-NVXWUHKLSA-N 1 0 306.450 2.725 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1OC ZINC000290490963 426774644 /nfs/dbraw/zinc/77/46/44/426774644.db2.gz OQCFODXBQFDSEC-KRWDZBQOSA-N 1 0 309.406 2.536 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]2(C)CCCO)cc1OC ZINC000290490967 426774714 /nfs/dbraw/zinc/77/47/14/426774714.db2.gz OQCFODXBQFDSEC-QGZVFWFLSA-N 1 0 309.406 2.536 20 10 DFCDRO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccccc1O ZINC000245819861 426774813 /nfs/dbraw/zinc/77/48/13/426774813.db2.gz UUFRWSXUKVITPV-IJEWVQPXSA-N 1 0 304.434 2.907 20 10 DFCDRO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(OC)ccc1O ZINC000245923138 426782005 /nfs/dbraw/zinc/78/20/05/426782005.db2.gz YGNJPCITBDESDA-KCXAZCMYSA-N 1 0 319.401 2.707 20 10 DFCDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000290275155 426731211 /nfs/dbraw/zinc/73/12/11/426731211.db2.gz WPTUJFNZHBNBFX-HZSPNIEDSA-N 1 0 310.413 2.736 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)cc1 ZINC000281644709 426735611 /nfs/dbraw/zinc/73/56/11/426735611.db2.gz PEQRNCKRXWPYGX-CABCVRRESA-N 1 0 303.450 2.804 20 10 DFCDRO COc1ccc(N2CCC[N@@H+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000245625874 426756661 /nfs/dbraw/zinc/75/66/61/426756661.db2.gz OYZRDNLZJNITOJ-ROUUACIJSA-N 1 0 304.434 2.511 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1O ZINC000245719551 426765817 /nfs/dbraw/zinc/76/58/17/426765817.db2.gz DFFWUQXDXWVRIU-HRCADAONSA-N 1 0 321.417 2.559 20 10 DFCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179566354 426802372 /nfs/dbraw/zinc/80/23/72/426802372.db2.gz NLZILSDNSNUWEY-ZBFHGGJFSA-N 1 0 304.434 2.909 20 10 DFCDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)c1ccsc1 ZINC000179563530 426802757 /nfs/dbraw/zinc/80/27/57/426802757.db2.gz LWMVLVQCDLGELM-UHFFFAOYSA-N 1 0 316.426 2.848 20 10 DFCDRO Oc1ccccc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000179586483 426805658 /nfs/dbraw/zinc/80/56/58/426805658.db2.gz ZKTYENABPWFFEU-IEBWSBKVSA-N 1 0 313.397 2.717 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000290637274 426810297 /nfs/dbraw/zinc/81/02/97/426810297.db2.gz YGVLQMUTSKLVCL-ZDUSSCGKSA-N 1 0 322.836 2.798 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000179726738 426814251 /nfs/dbraw/zinc/81/42/51/426814251.db2.gz HBJSEGBTCTVVLM-AWEZNQCLSA-N 1 0 308.809 2.597 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000179726724 426814956 /nfs/dbraw/zinc/81/49/56/426814956.db2.gz HBJSEGBTCTVVLM-CQSZACIVSA-N 1 0 308.809 2.597 20 10 DFCDRO COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1O ZINC000282578160 426919275 /nfs/dbraw/zinc/91/92/75/426919275.db2.gz BCEJOUCDYVSTRX-LBPRGKRZSA-N 1 0 324.421 2.746 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291247118 426879244 /nfs/dbraw/zinc/87/92/44/426879244.db2.gz LPEMUOVCVFUSPV-OAHLLOKOSA-N 1 0 312.404 2.982 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)c1 ZINC000282312111 426879431 /nfs/dbraw/zinc/87/94/31/426879431.db2.gz DNOBDWJIOPMJHJ-IAQYHMDHSA-N 1 0 301.390 2.863 20 10 DFCDRO COCCn1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000282761565 426925156 /nfs/dbraw/zinc/92/51/56/426925156.db2.gz OHEUXSROZGAYLJ-AWEZNQCLSA-N 1 0 303.406 2.703 20 10 DFCDRO CCCC[N@H+](CC(=O)NCc1ccco1)Cc1ccccc1O ZINC000282370250 426894517 /nfs/dbraw/zinc/89/45/17/426894517.db2.gz DZSWOVJVZDZEOW-UHFFFAOYSA-N 1 0 316.401 2.904 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCC23CCOCC3)cc1OC ZINC000282430204 426909815 /nfs/dbraw/zinc/90/98/15/426909815.db2.gz FHLZEEMMIHIMRS-QGZVFWFLSA-N 1 0 321.417 2.848 20 10 DFCDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3O)CC2)n[nH]1 ZINC000275847399 426934859 /nfs/dbraw/zinc/93/48/59/426934859.db2.gz HSNBDGGQMNBXBZ-ZDUSSCGKSA-N 1 0 300.406 2.743 20 10 DFCDRO CCCOc1ccc(C[N@H+](C)CCOCCOCC)c(O)c1 ZINC000276212924 427008481 /nfs/dbraw/zinc/00/84/81/427008481.db2.gz PKPRGNHIYSJJEM-UHFFFAOYSA-N 1 0 311.422 2.666 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)CC2 ZINC000295812134 427016615 /nfs/dbraw/zinc/01/66/15/427016615.db2.gz CTTAABXSDRRKQV-DGCLKSJQSA-N 1 0 314.351 2.853 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]CCc1ccc3c(c1)OCCO3)CC2 ZINC000296033797 427051108 /nfs/dbraw/zinc/05/11/08/427051108.db2.gz QGIYAICCBUUGQG-OAHLLOKOSA-N 1 0 311.381 2.983 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1ccc3c(c1)OCCO3)CC2 ZINC000296033795 427052120 /nfs/dbraw/zinc/05/21/20/427052120.db2.gz QGIYAICCBUUGQG-HNNXBMFYSA-N 1 0 311.381 2.983 20 10 DFCDRO COCCOC1(C[NH2+][C@H](C)c2cc(C)ccc2O)CCOCC1 ZINC000296265148 427129195 /nfs/dbraw/zinc/12/91/95/427129195.db2.gz DKGQQDKCKZXGMK-OAHLLOKOSA-N 1 0 323.433 2.563 20 10 DFCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268720446 427102001 /nfs/dbraw/zinc/10/20/01/427102001.db2.gz KNTHWLYJIDDBAD-KBPBESRZSA-N 1 0 321.440 2.991 20 10 DFCDRO Cc1c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cnn1C ZINC000268916470 427139659 /nfs/dbraw/zinc/13/96/59/427139659.db2.gz QHFFDTFHRFDJLI-KRWDZBQOSA-N 1 0 315.417 2.615 20 10 DFCDRO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000268980099 427142066 /nfs/dbraw/zinc/14/20/66/427142066.db2.gz OPOZUQIRQOZCSR-WMLDXEAASA-N 1 0 307.507 2.841 20 10 DFCDRO CC(C)[C@@H](C(=O)N(C)Cc1ccccc1O)[NH+]1CCCCC1 ZINC000269147220 427148799 /nfs/dbraw/zinc/14/87/99/427148799.db2.gz MYBJIZFPTATVGN-KRWDZBQOSA-N 1 0 304.434 2.861 20 10 DFCDRO C[C@@H](c1ccccc1O)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296647451 427227014 /nfs/dbraw/zinc/22/70/14/427227014.db2.gz YOKDDRNHMDYVJL-SOUVJXGZSA-N 1 0 310.397 2.734 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269626521 427234754 /nfs/dbraw/zinc/23/47/54/427234754.db2.gz DWSRZBPVZTZMFD-MRXNPFEDSA-N 1 0 302.418 2.758 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000183277374 427239094 /nfs/dbraw/zinc/23/90/94/427239094.db2.gz RWQNMHOIXSIMAS-UHFFFAOYSA-N 1 0 318.339 2.517 20 10 DFCDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000183379681 427256874 /nfs/dbraw/zinc/25/68/74/427256874.db2.gz XOXCEGCJOSEVGG-CYBMUJFWSA-N 1 0 310.825 2.702 20 10 DFCDRO CC[N@H+](CC(N)=O)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296902963 427272095 /nfs/dbraw/zinc/27/20/95/427272095.db2.gz QZYAJFBJRMPWSR-UHFFFAOYSA-N 1 0 317.458 2.692 20 10 DFCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(C)n1-c1ccccc1 ZINC000262739615 427367955 /nfs/dbraw/zinc/36/79/55/427367955.db2.gz IYHSLHCQLAOTEC-ACJLOTCBSA-N 1 0 311.429 2.822 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C)n(C)c2=O)cc1 ZINC000278728660 427450497 /nfs/dbraw/zinc/45/04/97/427450497.db2.gz LQTOVVGJPNPAJS-UHFFFAOYSA-N 1 0 313.445 2.830 20 10 DFCDRO C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000278791103 427452944 /nfs/dbraw/zinc/45/29/44/427452944.db2.gz YRUJTAZFIJBNES-KBPBESRZSA-N 1 0 310.413 2.683 20 10 DFCDRO CCCOc1ccc(C[NH+]2CCC(CCC(N)=O)CC2)c(O)c1 ZINC000271215342 427456943 /nfs/dbraw/zinc/45/69/43/427456943.db2.gz WIQXXMKHEUQSIM-UHFFFAOYSA-N 1 0 320.433 2.659 20 10 DFCDRO CCOc1cccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1O ZINC000271170247 427432354 /nfs/dbraw/zinc/43/23/54/427432354.db2.gz POKWJVMXWILKDK-INIZCTEOSA-N 1 0 304.434 2.851 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1O ZINC000271189277 427437979 /nfs/dbraw/zinc/43/79/79/427437979.db2.gz LQHWCKZFYGEFKW-UHFFFAOYSA-N 1 0 301.390 2.894 20 10 DFCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCSC3)CC2)cc1F ZINC000278441510 427439265 /nfs/dbraw/zinc/43/92/65/427439265.db2.gz LSAAWMJKQWJLBG-ZDUSSCGKSA-N 1 0 310.438 2.709 20 10 DFCDRO COCC1(O)CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271185759 427439447 /nfs/dbraw/zinc/43/94/47/427439447.db2.gz NGTBFWBBIYXGIS-UHFFFAOYSA-N 1 0 318.461 2.650 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC000278424843 427439550 /nfs/dbraw/zinc/43/95/50/427439550.db2.gz GJAQBIZQTKDJRB-HOTGVXAUSA-N 1 0 306.450 2.852 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(C3(C)OCCO3)CC2)cc1F ZINC000271191570 427440954 /nfs/dbraw/zinc/44/09/54/427440954.db2.gz PPBPFBHZFMGXCC-UHFFFAOYSA-N 1 0 322.424 2.867 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2cncn2C)C1)c1cc(F)ccc1O ZINC000278938130 427506364 /nfs/dbraw/zinc/50/63/64/427506364.db2.gz JZAPTYOYSYIMST-PLQHRBFRSA-N 1 0 319.380 2.836 20 10 DFCDRO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(OC)c1O ZINC000184683459 427518256 /nfs/dbraw/zinc/51/82/56/427518256.db2.gz RBXPQTSWXRSDTL-UHFFFAOYSA-N 1 0 309.797 2.810 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1O ZINC000184696108 427521664 /nfs/dbraw/zinc/52/16/64/427521664.db2.gz NCCMPQIGRUYQAD-NSHDSACASA-N 1 0 321.808 2.777 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)c1ccccc1O ZINC000278990180 427524217 /nfs/dbraw/zinc/52/42/17/427524217.db2.gz PXIHZTOFDTZNQY-JCKWVBRZSA-N 1 0 315.417 2.944 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c1 ZINC000279004369 427525819 /nfs/dbraw/zinc/52/58/19/427525819.db2.gz RYPIXGRFMZCPBL-OLZOCXBDSA-N 1 0 301.390 2.511 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c(O)c1 ZINC000271413322 427529233 /nfs/dbraw/zinc/52/92/33/427529233.db2.gz KNJRBYMKLIWPDB-MRXNPFEDSA-N 1 0 321.417 2.956 20 10 DFCDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccccc1O ZINC000263694460 427545951 /nfs/dbraw/zinc/54/59/51/427545951.db2.gz HEOYWKKPJQVTGT-KFWWJZLASA-N 1 0 319.449 2.558 20 10 DFCDRO COc1ccc(OC)c(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000263713485 427549286 /nfs/dbraw/zinc/54/92/86/427549286.db2.gz UWMHCSALSIJZHT-UHFFFAOYSA-N 1 0 303.358 2.708 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccccc1O ZINC000192812011 427615261 /nfs/dbraw/zinc/61/52/61/427615261.db2.gz MQONPHNCGQDWRW-ZBFHGGJFSA-N 1 0 312.417 2.892 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184914431 427564428 /nfs/dbraw/zinc/56/44/28/427564428.db2.gz BLWTZZVZQOOJAE-KFWWJZLASA-N 1 0 322.449 2.551 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(Br)cc1O ZINC000184996481 427575814 /nfs/dbraw/zinc/57/58/14/427575814.db2.gz RPLYDQQSZOBZCP-SECBINFHSA-N 1 0 310.195 2.739 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1O ZINC000271704098 427580285 /nfs/dbraw/zinc/58/02/85/427580285.db2.gz DVONNCAMGJCSSS-OAHLLOKOSA-N 1 0 304.434 2.827 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271579510 427582036 /nfs/dbraw/zinc/58/20/36/427582036.db2.gz WRHJMNOEVMZPIO-IJEWVQPXSA-N 1 0 322.424 2.880 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(c3cnn(C)c3)CC2)c1 ZINC000271723868 427586810 /nfs/dbraw/zinc/58/68/10/427586810.db2.gz KWLKQXXDVYPAMO-UHFFFAOYSA-N 1 0 301.390 2.514 20 10 DFCDRO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1c(O)cccc1Cl)CC2 ZINC000271839488 427590918 /nfs/dbraw/zinc/59/09/18/427590918.db2.gz GQFYDZXPWYUBAE-NSHDSACASA-N 1 0 320.824 2.865 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000271853987 427591207 /nfs/dbraw/zinc/59/12/07/427591207.db2.gz RYDODBFDEWFDBK-UKRRQHHQSA-N 1 0 301.386 2.655 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c(O)c1 ZINC000185127828 427599215 /nfs/dbraw/zinc/59/92/15/427599215.db2.gz LGXGAOFDYBJUPD-HIFRSBDPSA-N 1 0 319.376 2.930 20 10 DFCDRO CN(C)C(=O)C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294937712 427665503 /nfs/dbraw/zinc/66/55/03/427665503.db2.gz CKFHKBTXWCMICW-UHFFFAOYSA-N 1 0 317.458 2.562 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOC[C@H]2CCCO2)c1 ZINC000192939178 427639642 /nfs/dbraw/zinc/63/96/42/427639642.db2.gz NNZPQZNTGHEWRW-DZGCQCFKSA-N 1 0 309.406 2.637 20 10 DFCDRO COc1nccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000294627968 427645078 /nfs/dbraw/zinc/64/50/78/427645078.db2.gz ZUELXLDVTDLPJE-UHFFFAOYSA-N 1 0 314.433 2.962 20 10 DFCDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185462813 427657090 /nfs/dbraw/zinc/65/70/90/427657090.db2.gz HLBRAUJNJZJGAG-NOZJJQNGSA-N 1 0 302.212 2.822 20 10 DFCDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000185788466 427705603 /nfs/dbraw/zinc/70/56/03/427705603.db2.gz NCEHINUDWWRWMQ-CZUORRHYSA-N 1 0 316.445 2.933 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1O ZINC000279717110 427714603 /nfs/dbraw/zinc/71/46/03/427714603.db2.gz UDFKIQSHPRNRJK-LRDDRELGSA-N 1 0 311.809 2.734 20 10 DFCDRO CC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(C)cc1O ZINC000279942907 427726114 /nfs/dbraw/zinc/72/61/14/427726114.db2.gz BHUYDXAIQRQTDN-CQSZACIVSA-N 1 0 300.406 2.869 20 10 DFCDRO CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)[NH+](C)C ZINC000298921888 427729597 /nfs/dbraw/zinc/72/95/97/427729597.db2.gz OUVMOVIARXHIMP-KRWDZBQOSA-N 1 0 305.466 2.830 20 10 DFCDRO Cc1noc(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000185972486 427736872 /nfs/dbraw/zinc/73/68/72/427736872.db2.gz VEDGXHNRCKHRLP-LLVKDONJSA-N 1 0 301.390 2.856 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc2c(cc1O)CCCC2 ZINC000185994167 427739611 /nfs/dbraw/zinc/73/96/11/427739611.db2.gz HAGDACWQMRWJPI-WFASDCNBSA-N 1 0 312.417 2.528 20 10 DFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000186109376 427748020 /nfs/dbraw/zinc/74/80/20/427748020.db2.gz QVRBQODLCAUXQH-PWSUYJOCSA-N 1 0 311.813 2.500 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000359865375 428053880 /nfs/dbraw/zinc/05/38/80/428053880.db2.gz DTDVPUMWWYQKMB-JVPBZIDWSA-N 1 0 316.445 2.741 20 10 DFCDRO CCOc1cccc(CN2CCOC[C@@H]2c2ccco2)c1O ZINC000369775526 428060921 /nfs/dbraw/zinc/06/09/21/428060921.db2.gz YAXDCQMIWNKHBG-CQSZACIVSA-N 1 0 303.358 2.957 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@]2(CCCOC2)O1 ZINC000369874678 428078449 /nfs/dbraw/zinc/07/84/49/428078449.db2.gz QNLVHUAPOQIONR-MOPGFXCFSA-N 1 0 318.461 2.913 20 10 DFCDRO C[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO[C@@H]1C1CC1 ZINC000359973353 428097581 /nfs/dbraw/zinc/09/75/81/428097581.db2.gz KRRSFXTXTAAPHB-RTBURBONSA-N 1 0 316.445 2.570 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1O ZINC000359977113 428101111 /nfs/dbraw/zinc/10/11/11/428101111.db2.gz VNXFFJDLMPYAPA-SMDDNHRTSA-N 1 0 310.825 2.580 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)CCC(C)(C)O)CC2)cc1 ZINC000370161573 428148914 /nfs/dbraw/zinc/14/89/14/428148914.db2.gz KTTKFQBYGSGSIU-UHFFFAOYSA-N 1 0 306.450 2.757 20 10 DFCDRO COC[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000371797140 428405059 /nfs/dbraw/zinc/40/50/59/428405059.db2.gz ROJULSDZVAUWCQ-GFCCVEGCSA-N 1 0 314.376 2.881 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000371875497 428407606 /nfs/dbraw/zinc/40/76/06/428407606.db2.gz CFNFAHQJDHAKLL-ZDUSSCGKSA-N 1 0 313.397 2.581 20 10 DFCDRO COc1cccc(C[N@@H+]2CCCC[C@H]2Cn2cccn2)c1O ZINC000371371615 428386268 /nfs/dbraw/zinc/38/62/68/428386268.db2.gz CLPZPFAZUITGLC-HNNXBMFYSA-N 1 0 301.390 2.652 20 10 DFCDRO CCCOc1ccc(CN2CCC[C@@H]2c2ncon2)c(O)c1 ZINC000371375528 428386343 /nfs/dbraw/zinc/38/63/43/428386343.db2.gz VCXICOFZWQRITB-CQSZACIVSA-N 1 0 303.362 2.901 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000372598405 428470662 /nfs/dbraw/zinc/47/06/62/428470662.db2.gz GYCGNXJJESCGSJ-ZIAGYGMSSA-N 1 0 315.417 2.760 20 10 DFCDRO CN(C)c1ccc(C[NH2+]CC2(C)COC2)c(C(F)(F)F)c1 ZINC000281038840 273821305 /nfs/dbraw/zinc/82/13/05/273821305.db2.gz ZDKLALULFCYXPS-UHFFFAOYSA-N 1 0 302.340 2.898 20 10 DFCDRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000372979814 428510084 /nfs/dbraw/zinc/51/00/84/428510084.db2.gz UTYBXAKDRIXAFJ-HNNXBMFYSA-N 1 0 311.385 2.638 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1ccccc1O ZINC000373459538 428580892 /nfs/dbraw/zinc/58/08/92/428580892.db2.gz MBAZGJGBRMWEQX-GOEBONIOSA-N 1 0 312.417 2.892 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)c1 ZINC000373484350 428588929 /nfs/dbraw/zinc/58/89/29/428588929.db2.gz XLDISHDFOGNBEB-MAUKXSAKSA-N 1 0 321.417 2.561 20 10 DFCDRO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)CC2 ZINC000373561880 428607238 /nfs/dbraw/zinc/60/72/38/428607238.db2.gz QZOGJMLUVSYRQA-HIFRSBDPSA-N 1 0 314.433 2.910 20 10 DFCDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000373738114 428645254 /nfs/dbraw/zinc/64/52/54/428645254.db2.gz NFPBDAFAUPERTA-XUWXXGDYSA-N 1 0 310.397 2.631 20 10 DFCDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(F)ccc1O)C[C@H](C)O2 ZINC000373979273 428657039 /nfs/dbraw/zinc/65/70/39/428657039.db2.gz WDZFPLGGDDAATK-IGCXYCKISA-N 1 0 309.381 2.690 20 10 DFCDRO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374014463 428660789 /nfs/dbraw/zinc/66/07/89/428660789.db2.gz OBRJUSJFVFVPDK-MDZRGWNJSA-N 1 0 318.461 2.911 20 10 DFCDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000282473227 274305310 /nfs/dbraw/zinc/30/53/10/274305310.db2.gz UVUVKQITTDHZIA-ACJLOTCBSA-N 1 0 310.397 2.673 20 10 DFCDRO Cc1noc(C2(C)CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC000374730751 428740168 /nfs/dbraw/zinc/74/01/68/428740168.db2.gz AXLLNAKBYPERLD-UHFFFAOYSA-N 1 0 305.353 2.776 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CCc3ccncc3)CC2)cc1 ZINC000362796257 428805854 /nfs/dbraw/zinc/80/58/54/428805854.db2.gz GLHWFFKIKNCYAL-UHFFFAOYSA-N 1 0 311.429 2.891 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)Cc3cncn3C)CC2)cc1 ZINC000363608847 428953060 /nfs/dbraw/zinc/95/30/60/428953060.db2.gz KSWPRLFIJLNFJW-UHFFFAOYSA-N 1 0 314.433 2.530 20 10 DFCDRO Cc1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000363854606 428998588 /nfs/dbraw/zinc/99/85/88/428998588.db2.gz MIGAJUTWIHJJEK-TZMCWYRMSA-N 1 0 300.406 2.575 20 10 DFCDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC000364559966 429223729 /nfs/dbraw/zinc/22/37/29/429223729.db2.gz JQKYVHSTVMCKIZ-INIZCTEOSA-N 1 0 311.429 2.966 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(C)cc1O ZINC000365580069 429346108 /nfs/dbraw/zinc/34/61/08/429346108.db2.gz CSMBOYRCXWFFOY-ZBFHGGJFSA-N 1 0 314.433 2.754 20 10 DFCDRO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000295994210 275557901 /nfs/dbraw/zinc/55/79/01/275557901.db2.gz NVZUWTDXCXHNEY-OAHLLOKOSA-N 1 0 302.418 2.616 20 10 DFCDRO CCCn1ncnc1CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000366077221 429414509 /nfs/dbraw/zinc/41/45/09/429414509.db2.gz JXOCJDIZJLDIFA-UHFFFAOYSA-N 1 0 311.433 2.653 20 10 DFCDRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2O)C1)c1ccco1 ZINC000367350239 429628774 /nfs/dbraw/zinc/62/87/74/429628774.db2.gz SYEJNEXUYQABCH-CQSZACIVSA-N 1 0 314.385 2.627 20 10 DFCDRO Cc1cc(O)c(CN2CC[NH+]([C@@H]3CCSC3)CC2)cc1C ZINC000367536588 429667022 /nfs/dbraw/zinc/66/70/22/429667022.db2.gz VUPVSUUISUKGGX-MRXNPFEDSA-N 1 0 306.475 2.632 20 10 DFCDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000297826205 276313883 /nfs/dbraw/zinc/31/38/83/276313883.db2.gz JNWCXWDYMLKEAX-UHFFFAOYSA-N 1 0 303.450 2.633 20 10 DFCDRO CCOc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000289681315 276375172 /nfs/dbraw/zinc/37/51/72/276375172.db2.gz FAPBGAPYEKLBMG-RHSMWYFYSA-N 1 0 304.434 2.850 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000367703997 429703649 /nfs/dbraw/zinc/70/36/49/429703649.db2.gz OEPVCZMHXZOQFG-CYBMUJFWSA-N 1 0 301.390 2.514 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)[C@@]12CCCO2 ZINC000296280767 276481293 /nfs/dbraw/zinc/48/12/93/276481293.db2.gz CPHZKOPAESJQKG-VUNQQRPYSA-N 1 0 303.402 2.696 20 10 DFCDRO C[C@@H]([NH2+]CC12CC(C1)CO2)c1cc(Br)ccc1O ZINC000527978265 429830915 /nfs/dbraw/zinc/83/09/15/429830915.db2.gz HCZUYIIBVHRSGD-NAUIOFCNSA-N 1 0 312.207 2.984 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)c1 ZINC000528001317 429833197 /nfs/dbraw/zinc/83/31/97/429833197.db2.gz OZPKNAATFOFUDG-BZNIZROVSA-N 1 0 312.369 2.615 20 10 DFCDRO CCCN(Cc1coc(S(C)(=O)=O)c1)Cc1ccccc1O ZINC000528398059 429884828 /nfs/dbraw/zinc/88/48/28/429884828.db2.gz WHNSRBXWFHUNQF-UHFFFAOYSA-N 1 0 323.414 2.801 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000368795010 429894368 /nfs/dbraw/zinc/89/43/68/429894368.db2.gz DHCCBGLNVYDVPH-AEFFLSMTSA-N 1 0 317.477 2.555 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000368587982 429873493 /nfs/dbraw/zinc/87/34/93/429873493.db2.gz FGXUCMNPFYDNLY-ZDUSSCGKSA-N 1 0 301.390 2.514 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@H]3CCOC[C@H]3C)cc2)CC1 ZINC000295955026 277194704 /nfs/dbraw/zinc/19/47/04/277194704.db2.gz IWQDUACSAFVQQH-BEFAXECRSA-N 1 0 318.461 2.816 20 10 DFCDRO COc1cccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)c1O ZINC000092785757 278010273 /nfs/dbraw/zinc/01/02/73/278010273.db2.gz CINDJUSIFLJZBY-INIZCTEOSA-N 1 0 304.434 2.851 20 10 DFCDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000281047738 278291426 /nfs/dbraw/zinc/29/14/26/278291426.db2.gz ZYQJIXWHTRVKGK-QWRGUYRKSA-N 1 0 304.356 2.878 20 10 DFCDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280444468 278296893 /nfs/dbraw/zinc/29/68/93/278296893.db2.gz YKECCDWWBFJDOC-CWKPULSASA-N 1 0 322.396 2.628 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc2ccccc2c1O ZINC000175423213 279487445 /nfs/dbraw/zinc/48/74/45/279487445.db2.gz LZVXUXLZJMQZAM-ZFWWWQNUSA-N 1 0 300.402 2.527 20 10 DFCDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1O ZINC000290609426 280104988 /nfs/dbraw/zinc/10/49/88/280104988.db2.gz WJHWMTLJLZBGMD-JSGCOSHPSA-N 1 0 306.406 2.880 20 10 DFCDRO Cc1cccc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191734939 281216877 /nfs/dbraw/zinc/21/68/77/281216877.db2.gz KSCJRCDKNCGDGS-OAHLLOKOSA-N 1 0 303.431 2.724 20 10 DFCDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1N(C)C ZINC000293487501 335110909 /nfs/dbraw/zinc/11/09/09/335110909.db2.gz GHQNHAFGGJOFPO-NVXWUHKLSA-N 1 0 324.490 2.506 20 10 DFCDRO CC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@@H](C)[S@@]1=O ZINC000293699054 335112427 /nfs/dbraw/zinc/11/24/27/335112427.db2.gz WYKGCQULKPIBLC-NVAPDCRFSA-N 1 0 308.491 2.792 20 10 DFCDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000105433404 332989459 /nfs/dbraw/zinc/98/94/59/332989459.db2.gz IKVNGOOGITZOCS-UHFFFAOYSA-N 1 0 306.406 2.626 20 10 DFCDRO CCOc1cccc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1O ZINC000294045363 335119625 /nfs/dbraw/zinc/11/96/25/335119625.db2.gz WONZPORBZVCSOX-KRWDZBQOSA-N 1 0 315.413 2.826 20 10 DFCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1 ZINC000179023103 333145424 /nfs/dbraw/zinc/14/54/24/333145424.db2.gz QYBWWOJWGNLAKR-SFHVURJKSA-N 1 0 306.450 2.554 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1cc(Br)ccc1O ZINC000185688091 333211758 /nfs/dbraw/zinc/21/17/58/333211758.db2.gz OODFTXXZOBRGIV-VHSXEESVSA-N 1 0 302.212 2.966 20 10 DFCDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000119561082 333254980 /nfs/dbraw/zinc/25/49/80/333254980.db2.gz WHZVRKPTDZZASW-UHFFFAOYSA-N 1 0 304.434 2.966 20 10 DFCDRO Cc1cncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000189763067 333262456 /nfs/dbraw/zinc/26/24/56/333262456.db2.gz OHJDEFREMKGFKM-UHFFFAOYSA-N 1 0 311.429 2.859 20 10 DFCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000186223776 333372278 /nfs/dbraw/zinc/37/22/78/333372278.db2.gz JGFREIDXQVZWLL-LBPRGKRZSA-N 1 0 300.402 2.968 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](CCO)C(C)C)cc2)CC1 ZINC000295655864 335136594 /nfs/dbraw/zinc/13/65/94/335136594.db2.gz ZSGPXMDNTVNCGN-UHFFFAOYSA-N 1 0 306.450 2.505 20 10 DFCDRO OC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccc(F)cc1 ZINC000295790228 335137932 /nfs/dbraw/zinc/13/79/32/335137932.db2.gz BNJJCJSWKIZZQB-RHSMWYFYSA-N 1 0 315.388 2.959 20 10 DFCDRO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc3c(c2)CCN3C)c1 ZINC000365486323 333407742 /nfs/dbraw/zinc/40/77/42/333407742.db2.gz BKXCPDLWHWJZRL-LBPRGKRZSA-N 1 0 314.385 2.909 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCC3(CCOCC3)[C@@H]1O)CC2 ZINC000296476068 335142307 /nfs/dbraw/zinc/14/23/07/335142307.db2.gz OUFRMFQSUHKXOF-IIDMSEBBSA-N 1 0 317.429 2.537 20 10 DFCDRO OC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297070546 335148953 /nfs/dbraw/zinc/14/89/53/335148953.db2.gz WJBOUQKVDKGIKT-HOTGVXAUSA-N 1 0 301.361 2.712 20 10 DFCDRO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000271091520 334018343 /nfs/dbraw/zinc/01/83/43/334018343.db2.gz IDVMVXOZBNYZBV-CQSZACIVSA-N 1 0 318.396 2.963 20 10 DFCDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(F)ccc(O)c1O ZINC000276631201 334084452 /nfs/dbraw/zinc/08/44/52/334084452.db2.gz WCRKWLPVTUVPSD-LBPRGKRZSA-N 1 0 324.396 2.621 20 10 DFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)NCCF ZINC000282835872 334137586 /nfs/dbraw/zinc/13/75/86/334137586.db2.gz SLTZDURWIJXEML-GJZGRUSLSA-N 1 0 321.440 2.802 20 10 DFCDRO Cc1cc(C[NH+]2CCN(Cc3cccnc3)CC2)ccc1N(C)C ZINC000293706623 334201288 /nfs/dbraw/zinc/20/12/88/334201288.db2.gz DGTKEFJGTMGMGK-UHFFFAOYSA-N 1 0 324.472 2.774 20 10 DFCDRO Cc1cc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)ccc1N(C)C ZINC000294042980 334204994 /nfs/dbraw/zinc/20/49/94/334204994.db2.gz IVFYVYLVYNGGIX-INIZCTEOSA-N 1 0 318.461 2.831 20 10 DFCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)c(C)n1-c1cccc(Cl)c1 ZINC000127618639 334881048 /nfs/dbraw/zinc/88/10/48/334881048.db2.gz UEZISJSWTKWLRA-AWEZNQCLSA-N 1 0 317.820 2.839 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c1O ZINC000366927047 335372609 /nfs/dbraw/zinc/37/26/09/335372609.db2.gz VKJVZOYVKPRWGS-HIFRSBDPSA-N 1 0 308.809 2.501 20 10 DFCDRO C[NH+](C)CCN(C(=O)/C=C/c1cncc(F)c1)c1ccccc1 ZINC000104341215 336251000 /nfs/dbraw/zinc/25/10/00/336251000.db2.gz HEFXFBZBIIUXBB-CMDGGOBGSA-N 1 0 313.376 2.829 20 10 DFCDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000192882463 336280007 /nfs/dbraw/zinc/28/00/07/336280007.db2.gz GJKYCAXKFWSIAX-GFCCVEGCSA-N 1 0 322.405 2.672 20 10 DFCDRO COCCN1CCC([NH2+]Cc2c(C)c3ccccc3n2C)CC1 ZINC000355129312 336495777 /nfs/dbraw/zinc/49/57/77/336495777.db2.gz WSUNMCHWROURBP-UHFFFAOYSA-N 1 0 315.461 2.687 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(C)cc1O ZINC000367258997 336581525 /nfs/dbraw/zinc/58/15/25/336581525.db2.gz GBEKHCYOJKZTBU-ZBFHGGJFSA-N 1 0 302.418 2.943 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1 ZINC000360253118 336706390 /nfs/dbraw/zinc/70/63/90/336706390.db2.gz GZMPMJHVLHLKCM-OAHLLOKOSA-N 1 0 313.401 2.536 20 10 DFCDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C2 ZINC000360256409 336706566 /nfs/dbraw/zinc/70/65/66/336706566.db2.gz 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ZINC000371587464 336908415 /nfs/dbraw/zinc/90/84/15/336908415.db2.gz DDAMAAQCISFQKP-CQSZACIVSA-N 1 0 319.401 2.760 20 10 DFCDRO CN1CCc2cc(CNC(=O)c3cccc(C[NH+](C)C)c3)ccc21 ZINC000372236536 336925996 /nfs/dbraw/zinc/92/59/96/336925996.db2.gz OFOORXPXQSMMSC-UHFFFAOYSA-N 1 0 323.440 2.671 20 10 DFCDRO Oc1ccccc1C[NH2+]C1CC(O)(Cc2cccc(F)c2)C1 ZINC000373520038 336963644 /nfs/dbraw/zinc/96/36/44/336963644.db2.gz DUNVBDMTENETSD-UHFFFAOYSA-N 1 0 301.361 2.757 20 10 DFCDRO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1ccc(C)cc1O)CC2 ZINC000373561882 336964684 /nfs/dbraw/zinc/96/46/84/336964684.db2.gz QZOGJMLUVSYRQA-UKRRQHHQSA-N 1 0 314.433 2.910 20 10 DFCDRO COc1ccc(O)c(CN2CCOc3cccc(F)c3C2)c1 ZINC000375007810 337001437 /nfs/dbraw/zinc/00/14/37/337001437.db2.gz GTAIDEDKTKOSKR-UHFFFAOYSA-N 1 0 303.333 2.935 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(N(C)C)cc1 ZINC000375300741 337007376 /nfs/dbraw/zinc/00/73/76/337007376.db2.gz CMENRGSLZSDXQY-JENIJYKNSA-N 1 0 315.461 2.851 20 10 DFCDRO 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COc1ccc(N2CCC([NH2+][C@H](C)[C@@H]3CCOC3)CC2)cc1 ZINC000157363471 524403163 /nfs/dbraw/zinc/40/31/63/524403163.db2.gz XJTYWOTTZHVYMA-HUUCEWRRSA-N 1 0 304.434 2.679 20 10 DFCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CCSC3)CC2)cc1 ZINC000365876915 524406702 /nfs/dbraw/zinc/40/67/02/524406702.db2.gz LWVBBADZPAYWIV-HNNXBMFYSA-N 1 0 306.475 2.960 20 10 DFCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000180502869 524733790 /nfs/dbraw/zinc/73/37/90/524733790.db2.gz XATJRHWOINSWPN-QFIPXVFZSA-N 1 0 319.426 2.770 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn3ccsc3n2)c1 ZINC000182464830 524771819 /nfs/dbraw/zinc/77/18/19/524771819.db2.gz QSIAGCTVWBNMKS-JTQLQIEISA-N 1 0 303.387 2.961 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1O ZINC000180454273 524864417 /nfs/dbraw/zinc/86/44/17/524864417.db2.gz OFQXLGLKTPCAOE-AWEZNQCLSA-N 1 0 324.852 2.508 20 10 DFCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000192111676 525001932 /nfs/dbraw/zinc/00/19/32/525001932.db2.gz 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Cc1nsc(N2CCC[N@H+](Cc3cccc(C)c3O)CC2)n1 ZINC000180504832 526710646 /nfs/dbraw/zinc/71/06/46/526710646.db2.gz MDAYSOLUXYDUMZ-UHFFFAOYSA-N 1 0 318.446 2.573 20 10 DFCDRO O=C(NCc1ccccc1O)NC1CC[NH+](C2CCCC2)CC1 ZINC000267249468 526754156 /nfs/dbraw/zinc/75/41/56/526754156.db2.gz BMZNXQGQENKBLN-UHFFFAOYSA-N 1 0 317.433 2.598 20 10 DFCDRO OC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183031644 527592622 /nfs/dbraw/zinc/59/26/22/527592622.db2.gz LWXDGLBZQWIRDA-MRXNPFEDSA-N 1 0 313.397 2.785 20 10 DFCDRO CC(C)(C)OC1CC([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000272327170 534966552 /nfs/dbraw/zinc/96/65/52/534966552.db2.gz VKWNVBCIPQSRME-UHFFFAOYSA-N 1 0 318.461 2.959 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000273078967 535752278 /nfs/dbraw/zinc/75/22/78/535752278.db2.gz IQSHBTPLNBNRFX-QGZVFWFLSA-N 1 0 315.413 2.874 20 10 DFCDRO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cccc(C)c1O ZINC000284798143 536624066 /nfs/dbraw/zinc/62/40/66/536624066.db2.gz ZSZIURNVKHPTCX-BRWVUGGUSA-N 1 0 305.418 2.717 20 10 DFCDRO COCCOc1ncccc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000273438549 536743174 /nfs/dbraw/zinc/74/31/74/536743174.db2.gz XVOQFNSFBRHOIK-CQSZACIVSA-N 1 0 316.401 2.972 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000272390433 536856431 /nfs/dbraw/zinc/85/64/31/536856431.db2.gz HBFAPOBDDHYLIT-ZFWWWQNUSA-N 1 0 323.433 2.638 20 10 DFCDRO COc1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1C ZINC000274226645 536892399 /nfs/dbraw/zinc/89/23/99/536892399.db2.gz CXYBSUFUYMGUGK-UHFFFAOYSA-N 1 0 303.431 2.638 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820432467 599394820 /nfs/dbraw/zinc/39/48/20/599394820.db2.gz OMTBBBMGZLMUGU-ZDUSSCGKSA-N 1 0 322.416 2.784 20 10 DFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000090411946 185295121 /nfs/dbraw/zinc/29/51/21/185295121.db2.gz OYGUPNWEKKZFBD-ZBFHGGJFSA-N 1 0 318.465 2.597 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000092455468 185319742 /nfs/dbraw/zinc/31/97/42/185319742.db2.gz AAWUZJZTZXXGAU-AWEZNQCLSA-N 1 0 306.406 2.800 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000092648911 185331308 /nfs/dbraw/zinc/33/13/08/185331308.db2.gz VCQVRKWNPREZFA-UHFFFAOYSA-N 1 0 301.390 2.825 20 10 DFCDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092705925 185334687 /nfs/dbraw/zinc/33/46/87/185334687.db2.gz IBOOKTWHAUWQLW-QGZVFWFLSA-N 1 0 317.477 2.737 20 10 DFCDRO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092708097 185335178 /nfs/dbraw/zinc/33/51/78/185335178.db2.gz GNDARXPKMZVWHP-INIZCTEOSA-N 1 0 303.450 2.633 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(N(C)C)cc1 ZINC000089680117 398463415 /nfs/dbraw/zinc/46/34/15/398463415.db2.gz RHRSLPYFOARTKX-OALUTQOASA-N 1 0 317.477 2.657 20 10 DFCDRO c1cnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1 ZINC000091676782 398540134 /nfs/dbraw/zinc/54/01/34/398540134.db2.gz ZCYRUIHHGCZVCX-UHFFFAOYSA-N 1 0 323.444 2.621 20 10 DFCDRO C[C@H](O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000092969109 398610518 /nfs/dbraw/zinc/61/05/18/398610518.db2.gz FSGZGPFXFGVAPY-JTQLQIEISA-N 1 0 314.223 2.748 20 10 DFCDRO COC(=O)[C@]1(F)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000074723170 398761771 /nfs/dbraw/zinc/76/17/71/398761771.db2.gz GYJABXHPKSUWTR-KRWDZBQOSA-N 1 0 303.333 2.632 20 10 DFCDRO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000090951388 192964167 /nfs/dbraw/zinc/96/41/67/192964167.db2.gz UHHLIUVQBNFAJX-GDBMZVCRSA-N 1 0 324.440 2.864 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000282510773 299357912 /nfs/dbraw/zinc/35/79/12/299357912.db2.gz YXTAKMMCYPNREJ-HDMKZQKVSA-N 1 0 315.461 2.995 20 10 DFCDRO C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273468881 296117295 /nfs/dbraw/zinc/11/72/95/296117295.db2.gz RSGVQFPAVJUPNL-GFCCVEGCSA-N 1 0 307.394 2.683 20 10 DFCDRO CC[C@H](CO)[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000020195319 182196105 /nfs/dbraw/zinc/19/61/05/182196105.db2.gz HIAQWZKKBXSANA-PWSUYJOCSA-N 1 0 302.212 2.966 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000366815223 335049812 /nfs/dbraw/zinc/04/98/12/335049812.db2.gz ZNCSXFGINUDESG-RVKKMQEKSA-N 1 0 305.418 2.859 20 10 DFCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000272373231 130024869 /nfs/dbraw/zinc/02/48/69/130024869.db2.gz GXOQCVVMBLJWAW-GUYCJALGSA-N 1 0 304.409 2.980 20 10 DFCDRO COC[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)OC ZINC000272641313 130048185 /nfs/dbraw/zinc/04/81/85/130048185.db2.gz CSWCNTISEUHVHV-QAPCUYQASA-N 1 0 306.450 2.989 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c1 ZINC000273369861 130113057 /nfs/dbraw/zinc/11/30/57/130113057.db2.gz FUQNFCQKDXZYIF-GFCCVEGCSA-N 1 0 301.390 2.713 20 10 DFCDRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273426712 130120198 /nfs/dbraw/zinc/12/01/98/130120198.db2.gz ULMDNTOSBCUDEQ-OTYXRUKQSA-N 1 0 303.324 2.845 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1 ZINC000273433974 130120796 /nfs/dbraw/zinc/12/07/96/130120796.db2.gz WONFXYZZLXPTOT-CQSZACIVSA-N 1 0 319.426 2.825 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CCCNC(=O)C2CCC2)c(O)c1C ZINC000273547774 130134762 /nfs/dbraw/zinc/13/47/62/130134762.db2.gz ZQGGBXNXYAOXGY-AWEZNQCLSA-N 1 0 304.434 2.966 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c(O)c1C ZINC000273586869 130140958 /nfs/dbraw/zinc/14/09/58/130140958.db2.gz NZOFFAMTEKOYJY-HRCADAONSA-N 1 0 306.450 2.769 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc2c(cc1O)CCCC2 ZINC000273591860 130142135 /nfs/dbraw/zinc/14/21/35/130142135.db2.gz PIQMYVGMGJGUJM-QWHCGFSZSA-N 1 0 300.406 2.602 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c(O)c1C ZINC000273604716 130143775 /nfs/dbraw/zinc/14/37/75/130143775.db2.gz SWCXHZDQBSYWJJ-XJKSGUPXSA-N 1 0 306.450 2.628 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc2ccccc2c1O ZINC000273619952 130145623 /nfs/dbraw/zinc/14/56/23/130145623.db2.gz YSMNFKMOPASGQL-SJKOYZFVSA-N 1 0 311.385 2.663 20 10 DFCDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccccc1O ZINC000274681729 130253183 /nfs/dbraw/zinc/25/31/83/130253183.db2.gz RMCCLBYDNQIJKD-CYBMUJFWSA-N 1 0 324.380 2.557 20 10 DFCDRO CC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275106724 130291049 /nfs/dbraw/zinc/29/10/49/130291049.db2.gz DQWSTYJDCOWGFH-MWLCHTKSSA-N 1 0 302.212 2.885 20 10 DFCDRO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(C)c1O ZINC000275625077 130351322 /nfs/dbraw/zinc/35/13/22/130351322.db2.gz RWVOBUUKNRTKDL-MAUKXSAKSA-N 1 0 315.417 2.784 20 10 DFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)cc1C ZINC000275687049 130364294 /nfs/dbraw/zinc/36/42/94/130364294.db2.gz WSECRXIHOKZAJU-KBXCAEBGSA-N 1 0 315.417 2.610 20 10 DFCDRO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1[O-])C1CC1 ZINC000275779111 130383790 /nfs/dbraw/zinc/38/37/90/130383790.db2.gz RRNGUDKMXCIERU-HNNXBMFYSA-N 1 0 306.381 2.507 20 10 DFCDRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000281027567 130833014 /nfs/dbraw/zinc/83/30/14/130833014.db2.gz ZWGXJGRIZAXMQY-RRQGHBQHSA-N 1 0 319.445 2.567 20 10 DFCDRO CN(C)c1ccc(CNC2CC([NH+]3CCCCC3)C2)cc1F ZINC000369535708 130918616 /nfs/dbraw/zinc/91/86/16/130918616.db2.gz BXXNMCIFCMKQOE-UHFFFAOYSA-N 1 0 305.441 2.998 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(C)(C)n1cncn1 ZINC000284069601 131045683 /nfs/dbraw/zinc/04/56/83/131045683.db2.gz LGYZWSAWDOSJRH-OAHLLOKOSA-N 1 0 313.449 2.792 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c(O)c1 ZINC000284103069 131049394 /nfs/dbraw/zinc/04/93/94/131049394.db2.gz MWFYIXSGNJGLTB-OAHLLOKOSA-N 1 0 306.450 2.506 20 10 DFCDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000284355669 131073385 /nfs/dbraw/zinc/07/33/85/131073385.db2.gz MQIWWIGHWPGFEW-CQSZACIVSA-N 1 0 322.424 2.618 20 10 DFCDRO COc1cc(O)c(C[NH+]2CCC3(CCOCC3)CC2)cc1OC ZINC000284532676 131089590 /nfs/dbraw/zinc/08/95/90/131089590.db2.gz VBPVXHPHXJWTKV-UHFFFAOYSA-N 1 0 321.417 2.802 20 10 DFCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(F)cc1[O-] ZINC000285638829 131188691 /nfs/dbraw/zinc/18/86/91/131188691.db2.gz KUHMTLYLKXXLNZ-LLVKDONJSA-N 1 0 315.410 2.539 20 10 DFCDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000285646475 131190060 /nfs/dbraw/zinc/19/00/60/131190060.db2.gz YCFLHOPSRCRFNH-QWRGUYRKSA-N 1 0 314.223 2.917 20 10 DFCDRO CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1[O-] ZINC000287695429 131295329 /nfs/dbraw/zinc/29/53/29/131295329.db2.gz WXQVUOUAZILYQG-INIZCTEOSA-N 1 0 323.456 2.598 20 10 DFCDRO COc1ccc(O)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000289388158 131381629 /nfs/dbraw/zinc/38/16/29/131381629.db2.gz NGZYUFRMTIUAHX-UHFFFAOYSA-N 1 0 316.357 2.984 20 10 DFCDRO CC[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000290259906 131470444 /nfs/dbraw/zinc/47/04/44/131470444.db2.gz VBGPVYMIHGDKGD-UKRRQHHQSA-N 1 0 310.413 2.738 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]CCOCC(F)(F)C(F)F)CC2 ZINC000296258942 131952118 /nfs/dbraw/zinc/95/21/18/131952118.db2.gz BPIKNKKDAICMSQ-SNVBAGLBSA-N 1 0 307.287 2.886 20 10 DFCDRO CCN(CCC[NH+](C)C)Cc1cc(Cl)cc(OC)c1O ZINC000230744872 542892885 /nfs/dbraw/zinc/89/28/85/542892885.db2.gz ZBXLSULJCHOQHT-UHFFFAOYSA-N 1 0 300.830 2.828 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+]2CCCOCC2)c1O ZINC000124555254 425925396 /nfs/dbraw/zinc/92/53/96/425925396.db2.gz IROHIVJQADPYOQ-UHFFFAOYSA-N 1 0 300.196 2.685 20 10 DFCDRO Nc1ccc(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013779925 425762939 /nfs/dbraw/zinc/76/29/39/425762939.db2.gz CWWDFLKHYMXBBB-UHFFFAOYSA-N 1 0 323.440 2.592 20 10 DFCDRO CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1ccccc1O ZINC000157469640 425938497 /nfs/dbraw/zinc/93/84/97/425938497.db2.gz GCUBBWFLZFCLQY-HOTGVXAUSA-N 1 0 322.449 2.610 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000071408003 425985489 /nfs/dbraw/zinc/98/54/89/425985489.db2.gz QTJGVBWXVRPVGZ-GFCCVEGCSA-N 1 0 302.340 2.674 20 10 DFCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000104136371 425958098 /nfs/dbraw/zinc/95/80/98/425958098.db2.gz ISZCPHSNJQLFHI-QGZVFWFLSA-N 1 0 303.450 2.585 20 10 DFCDRO Cc1cc(C(=O)N(C)C2CC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC000125249306 425960715 /nfs/dbraw/zinc/96/07/15/425960715.db2.gz NBAHTXDBBYBUSC-UHFFFAOYSA-N 1 0 311.429 2.918 20 10 DFCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCCCO1 ZINC000070976670 425979453 /nfs/dbraw/zinc/97/94/53/425979453.db2.gz WBXBFOHMJHBCLA-IRXDYDNUSA-N 1 0 305.418 2.942 20 10 DFCDRO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccccc1O ZINC000109768891 426032662 /nfs/dbraw/zinc/03/26/62/426032662.db2.gz CPNYRMNCKWGCNA-QLFBSQMISA-N 1 0 304.434 2.717 20 10 DFCDRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2O)c(C)c1 ZINC000111234994 426039168 /nfs/dbraw/zinc/03/91/68/426039168.db2.gz UXAZLGVJOKBUTL-KRWDZBQOSA-N 1 0 315.413 2.881 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@H](c2ccco2)N(C)C)c1O ZINC000074334949 426046821 /nfs/dbraw/zinc/04/68/21/426046821.db2.gz JETABENMUGJPHB-CQSZACIVSA-N 1 0 304.390 2.776 20 10 DFCDRO COc1ccccc1[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000113326164 426113200 /nfs/dbraw/zinc/11/32/00/426113200.db2.gz CJYANKISGACNJT-OAHLLOKOSA-N 1 0 307.777 2.877 20 10 DFCDRO CC[C@@H](CCO)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000166791380 426129785 /nfs/dbraw/zinc/12/97/85/426129785.db2.gz FSOCOUSFTNSOQW-HNNXBMFYSA-N 1 0 306.450 2.662 20 10 DFCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112347742 426073348 /nfs/dbraw/zinc/07/33/48/426073348.db2.gz FMOGMEKGPYWYAM-MRXNPFEDSA-N 1 0 314.360 2.769 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000132617930 426170202 /nfs/dbraw/zinc/17/02/02/426170202.db2.gz VPZGIYMBLUIWPU-CQSZACIVSA-N 1 0 317.820 2.921 20 10 DFCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000134142582 426184886 /nfs/dbraw/zinc/18/48/86/426184886.db2.gz LSYIUKPXMZUPFI-OAHLLOKOSA-N 1 0 319.449 2.512 20 10 DFCDRO COc1cccc(C2([NH2+]Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000150887833 426266156 /nfs/dbraw/zinc/26/61/56/426266156.db2.gz LDBKYKBQQLXOFL-UHFFFAOYSA-N 1 0 313.353 2.908 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000151352094 426291140 /nfs/dbraw/zinc/29/11/40/426291140.db2.gz LRYPOYMBRZDGCM-PBHICJAKSA-N 1 0 323.458 2.935 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000151382192 426292392 /nfs/dbraw/zinc/29/23/92/426292392.db2.gz KOIJNSPUEYFIEY-NVXWUHKLSA-N 1 0 306.475 2.897 20 10 DFCDRO C[N@H+](CCOCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000151393153 426293452 /nfs/dbraw/zinc/29/34/52/426293452.db2.gz TXRKEFICODKSJW-UHFFFAOYSA-N 1 0 315.369 2.770 20 10 DFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(C)C ZINC000151542743 426300850 /nfs/dbraw/zinc/30/08/50/426300850.db2.gz KYLVLLKFZAGEIL-KRWDZBQOSA-N 1 0 324.440 2.547 20 10 DFCDRO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000090951386 426335010 /nfs/dbraw/zinc/33/50/10/426335010.db2.gz UHHLIUVQBNFAJX-GOEBONIOSA-N 1 0 324.440 2.864 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000152337912 426338946 /nfs/dbraw/zinc/33/89/46/426338946.db2.gz OUUPIBDDQHJOGM-NVXWUHKLSA-N 1 0 315.461 2.948 20 10 DFCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000089212008 426282624 /nfs/dbraw/zinc/28/26/24/426282624.db2.gz BQZIQBPRTUFEJB-ZDUSSCGKSA-N 1 0 316.449 2.908 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3noc(C)n3)CC2)c1 ZINC000092787898 426352313 /nfs/dbraw/zinc/35/23/13/426352313.db2.gz PAJHFEKRLFIEMD-UHFFFAOYSA-N 1 0 317.389 2.862 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093505955 426356908 /nfs/dbraw/zinc/35/69/08/426356908.db2.gz CGFABKXOSLAWDW-IEBWSBKVSA-N 1 0 316.445 2.524 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000152839143 426357353 /nfs/dbraw/zinc/35/73/53/426357353.db2.gz FBVVIGLIGAAUDT-DAYGRLMNSA-N 1 0 304.434 2.741 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000153231673 426377538 /nfs/dbraw/zinc/37/75/38/426377538.db2.gz MBQVXMDLPTWTIB-QFBILLFUSA-N 1 0 319.493 2.762 20 10 DFCDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1O ZINC000154011594 426418912 /nfs/dbraw/zinc/41/89/12/426418912.db2.gz ODEBMCUCQOHDRR-CYBMUJFWSA-N 1 0 314.385 2.941 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]CC2(OC)CCOCC2)cc1 ZINC000123206787 426419479 /nfs/dbraw/zinc/41/94/79/426419479.db2.gz MBMDISWCMRMUAU-UHFFFAOYSA-N 1 0 306.450 2.818 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000123743552 426451703 /nfs/dbraw/zinc/45/17/03/426451703.db2.gz YWGGVERECUYGOD-OCCSQVGLSA-N 1 0 319.323 2.679 20 10 DFCDRO COc1cccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000154705498 426452104 /nfs/dbraw/zinc/45/21/04/426452104.db2.gz AUHRJELPZSDSEQ-IVZQSRNASA-N 1 0 319.426 2.610 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)c1 ZINC000154937265 426459900 /nfs/dbraw/zinc/45/99/00/426459900.db2.gz VHWLRNIQCXBEHF-MRXNPFEDSA-N 1 0 319.426 2.576 20 10 DFCDRO [NH3+]Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000186459149 426532059 /nfs/dbraw/zinc/53/20/59/426532059.db2.gz LLBPCTDZXMADOY-UHFFFAOYSA-N 1 0 310.397 2.660 20 10 DFCDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000186475316 426536405 /nfs/dbraw/zinc/53/64/05/426536405.db2.gz ZZESRQAYGJQHCL-CYBMUJFWSA-N 1 0 312.797 2.674 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC000280300628 426543441 /nfs/dbraw/zinc/54/34/41/426543441.db2.gz OWMJMOBTBCZUBL-KSSFIOAISA-N 1 0 321.417 2.561 20 10 DFCDRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc2ccccc2c1O ZINC000186149709 426489335 /nfs/dbraw/zinc/48/93/35/426489335.db2.gz IDGVZKKNXDXVPS-AWEZNQCLSA-N 1 0 315.413 2.985 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000186165633 426489480 /nfs/dbraw/zinc/48/94/80/426489480.db2.gz QJVXVWVBUXFJPV-ORAYPTAESA-N 1 0 313.397 2.885 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000186165689 426490247 /nfs/dbraw/zinc/49/02/47/426490247.db2.gz QJVXVWVBUXFJPV-YJYMSZOUSA-N 1 0 313.397 2.885 20 10 DFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000219457487 426572398 /nfs/dbraw/zinc/57/23/98/426572398.db2.gz BNLAYLJDNLRWSM-CQSZACIVSA-N 1 0 302.340 2.690 20 10 DFCDRO COc1cccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000222080418 426581679 /nfs/dbraw/zinc/58/16/79/426581679.db2.gz KQQRLHVDVIRPJC-LBPRGKRZSA-N 1 0 324.421 2.794 20 10 DFCDRO CC[C@@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000178493983 426641271 /nfs/dbraw/zinc/64/12/71/426641271.db2.gz SOBQNQACQXGJNC-RHSMWYFYSA-N 1 0 303.450 2.804 20 10 DFCDRO COCCC[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000178538406 426651392 /nfs/dbraw/zinc/65/13/92/426651392.db2.gz SPHSQALNTDPCCV-INIZCTEOSA-N 1 0 320.477 2.800 20 10 DFCDRO CCOc1cccc(CN2C[C@H](C)[S@@](=O)[C@@H](CC)C2)c1O ZINC000289985426 426679152 /nfs/dbraw/zinc/67/91/52/426679152.db2.gz ZYFRRDXHHUVYPH-QENPMARHSA-N 1 0 311.447 2.522 20 10 DFCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H]1CCCO1 ZINC000227437261 426626232 /nfs/dbraw/zinc/62/62/32/426626232.db2.gz UBMCUENCELMYPY-RNCFNFMXSA-N 1 0 300.196 2.812 20 10 DFCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000281302173 426708484 /nfs/dbraw/zinc/70/84/84/426708484.db2.gz YRLFDZSIOFOSIK-YPMHNXCESA-N 1 0 310.825 2.955 20 10 DFCDRO Cc1ccc(N2CCC(C(=O)Nc3ccc(N)cc3)CC2)nc1 ZINC000237618779 426693768 /nfs/dbraw/zinc/69/37/68/426693768.db2.gz HBUDGESXCYKEMC-UHFFFAOYSA-N 1 0 310.401 2.827 20 10 DFCDRO COc1ccc(N2CCC[N@@H+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000245625869 426756982 /nfs/dbraw/zinc/75/69/82/426756982.db2.gz OYZRDNLZJNITOJ-QZTJIDSGSA-N 1 0 304.434 2.511 20 10 DFCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179558280 426802733 /nfs/dbraw/zinc/80/27/33/426802733.db2.gz DQMOCZLRBFMBHI-OAHLLOKOSA-N 1 0 308.385 2.815 20 10 DFCDRO C[NH+](C)C[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000179630717 426807533 /nfs/dbraw/zinc/80/75/33/426807533.db2.gz YMGLRVADWVLGBF-NSHDSACASA-N 1 0 313.239 2.538 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1O ZINC000179676655 426811439 /nfs/dbraw/zinc/81/14/39/426811439.db2.gz QNFGYVAMKUFOSQ-UHFFFAOYSA-N 1 0 302.340 2.771 20 10 DFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180017315 426831341 /nfs/dbraw/zinc/83/13/41/426831341.db2.gz LRJSEPGCVQASJY-ZDUSSCGKSA-N 1 0 308.397 2.660 20 10 DFCDRO c1csc(N2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)n1 ZINC000282155085 426841870 /nfs/dbraw/zinc/84/18/70/426841870.db2.gz IAFYBFYBCCGYLZ-UHFFFAOYSA-N 1 0 315.442 2.837 20 10 DFCDRO CC[N@H+](CCOCCO)Cc1ccc(N2CCCCC2)cc1 ZINC000282712869 426920891 /nfs/dbraw/zinc/92/08/91/426920891.db2.gz KUNGFHYSKPJMEG-UHFFFAOYSA-N 1 0 306.450 2.508 20 10 DFCDRO CCCCN(Cc1ccccc1O)c1ncnc2c1cnn2C ZINC000282256324 426865037 /nfs/dbraw/zinc/86/50/37/426865037.db2.gz NJWDXYKTUKZKKU-UHFFFAOYSA-N 1 0 311.389 2.876 20 10 DFCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000291012191 426872096 /nfs/dbraw/zinc/87/20/96/426872096.db2.gz VAINMXOAFCKVKN-AWEZNQCLSA-N 1 0 307.438 2.654 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c1O ZINC000290957403 426872277 /nfs/dbraw/zinc/87/22/77/426872277.db2.gz RGSJWPFFTHYGSG-OAHLLOKOSA-N 1 0 301.390 2.743 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291323636 426882860 /nfs/dbraw/zinc/88/28/60/426882860.db2.gz SZZPKQPFHNIDAW-CQSZACIVSA-N 1 0 314.360 2.735 20 10 DFCDRO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000282432638 426912739 /nfs/dbraw/zinc/91/27/39/426912739.db2.gz RJNSIGQXLGUMOO-CXAGYDPISA-N 1 0 310.397 2.816 20 10 DFCDRO O=C(CC[NH2+][C@@H]1CCc2cccc(O)c21)NC1CCCCC1 ZINC000296060649 427060259 /nfs/dbraw/zinc/06/02/59/427060259.db2.gz ROKMEMXWSFCNCF-OAHLLOKOSA-N 1 0 302.418 2.808 20 10 DFCDRO CN(CC[NH2+][C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000295789686 427017989 /nfs/dbraw/zinc/01/79/89/427017989.db2.gz AEWRWIARUSLXGB-CYBMUJFWSA-N 1 0 306.406 2.836 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1O ZINC000295851671 427018568 /nfs/dbraw/zinc/01/85/68/427018568.db2.gz DKLXRVFAWBWRBT-KBRIMQKVSA-N 1 0 319.376 2.781 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@H]3CCOC[C@@H]3C)cc2)CC1 ZINC000295955043 427027323 /nfs/dbraw/zinc/02/73/23/427027323.db2.gz IWQDUACSAFVQQH-KXBFYZLASA-N 1 0 318.461 2.816 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CC2 ZINC000296028860 427049393 /nfs/dbraw/zinc/04/93/93/427049393.db2.gz PZYNRHXJBKVIGT-KRWDZBQOSA-N 1 0 320.396 2.809 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1OC ZINC000292107127 427090098 /nfs/dbraw/zinc/09/00/98/427090098.db2.gz PVZRADFRWGUJES-LSDHHAIUSA-N 1 0 313.344 2.887 20 10 DFCDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268743078 427108372 /nfs/dbraw/zinc/10/83/72/427108372.db2.gz SYLNGBQECGDLCI-HUUCEWRRSA-N 1 0 303.450 2.852 20 10 DFCDRO C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1O ZINC000268807465 427121424 /nfs/dbraw/zinc/12/14/24/427121424.db2.gz GDMUMDSUXSMVFR-SNVBAGLBSA-N 1 0 310.195 2.530 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000268834854 427136115 /nfs/dbraw/zinc/13/61/15/427136115.db2.gz NCCJTDDGAQQFBM-GDBMZVCRSA-N 1 0 301.434 2.558 20 10 DFCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000268933797 427139503 /nfs/dbraw/zinc/13/95/03/427139503.db2.gz MRVHZVCVJAZGCN-KDOFPFPSSA-N 1 0 324.440 2.984 20 10 DFCDRO COCC[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268910109 427140140 /nfs/dbraw/zinc/14/01/40/427140140.db2.gz YQGHAULHCIBASI-KFWWJZLASA-N 1 0 324.440 2.954 20 10 DFCDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)Cc1ccccc1O ZINC000249785934 427146660 /nfs/dbraw/zinc/14/66/60/427146660.db2.gz RPQWJVXJLKXJQL-GJZGRUSLSA-N 1 0 319.449 2.654 20 10 DFCDRO C[NH+](C)C1(CNC(=O)Cc2ccc(N)cc2)CCCCCC1 ZINC000269230802 427153204 /nfs/dbraw/zinc/15/32/04/427153204.db2.gz HYJDQCQYHGQGHG-UHFFFAOYSA-N 1 0 303.450 2.582 20 10 DFCDRO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(N2CCOCC2)cc1 ZINC000250115526 427154806 /nfs/dbraw/zinc/15/48/06/427154806.db2.gz UHQHRGCIUYIPTA-WQANXHIZSA-N 1 0 316.445 2.741 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC000292803907 427202057 /nfs/dbraw/zinc/20/20/57/427202057.db2.gz NWUBQNVBBKVHNB-INIZCTEOSA-N 1 0 310.825 2.582 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000292838012 427202279 /nfs/dbraw/zinc/20/22/79/427202279.db2.gz CAAACOQCQGACQS-VQIMIIECSA-N 1 0 323.440 2.918 20 10 DFCDRO Cn1ncc(CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000293072025 427213886 /nfs/dbraw/zinc/21/38/86/427213886.db2.gz VMNNTPIQDZDVEQ-UHFFFAOYSA-N 1 0 313.449 2.528 20 10 DFCDRO COc1cccc(CN(CCC[NH3+])c2cccc(F)c2)c1O ZINC000183222399 427226357 /nfs/dbraw/zinc/22/63/57/427226357.db2.gz XLEFSFXSMKDVBN-UHFFFAOYSA-N 1 0 304.365 2.895 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1O ZINC000296789876 427235590 /nfs/dbraw/zinc/23/55/90/427235590.db2.gz SRJFBDKLVIOJNC-LBPRGKRZSA-N 1 0 320.408 2.650 20 10 DFCDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000183379710 427257914 /nfs/dbraw/zinc/25/79/14/427257914.db2.gz XOXCEGCJOSEVGG-ZDUSSCGKSA-N 1 0 310.825 2.702 20 10 DFCDRO CC[C@H](C)C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183696141 427321152 /nfs/dbraw/zinc/32/11/52/427321152.db2.gz FMKAYPHYMCAZRG-AWEZNQCLSA-N 1 0 322.449 2.881 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1O ZINC000270232128 427321311 /nfs/dbraw/zinc/32/13/11/427321311.db2.gz AQVVBHIQVAAZMP-QGZVFWFLSA-N 1 0 305.349 2.537 20 10 DFCDRO COc1cc(N2CC[NH+](CC=C(C)C)CC2)cc(OC)c1OC ZINC000183696445 427321505 /nfs/dbraw/zinc/32/15/05/427321505.db2.gz OXCLHRDTBWVQHF-UHFFFAOYSA-N 1 0 320.433 2.801 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccccc1O ZINC000183544727 427291064 /nfs/dbraw/zinc/29/10/64/427291064.db2.gz GCNTVYPMYBKVSP-CYBMUJFWSA-N 1 0 319.426 2.788 20 10 DFCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(C)n1-c1ccccc1 ZINC000262829022 427375591 /nfs/dbraw/zinc/37/55/91/427375591.db2.gz HQDKTUVDDABZJY-CZUORRHYSA-N 1 0 311.429 2.964 20 10 DFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000271103390 427404785 /nfs/dbraw/zinc/40/47/85/427404785.db2.gz YMZNAMBBGNAUER-KRWDZBQOSA-N 1 0 305.466 2.687 20 10 DFCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000278132378 427412870 /nfs/dbraw/zinc/41/28/70/427412870.db2.gz CIPDADJDNMCJNT-FZMZJTMJSA-N 1 0 324.396 2.876 20 10 DFCDRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297542489 427413588 /nfs/dbraw/zinc/41/35/88/427413588.db2.gz FDXUALKDZMYQGG-IAGOWNOFSA-N 1 0 324.424 2.669 20 10 DFCDRO CC1CCN(c2ccc(C[NH2+]C3CCN(C=O)CC3)cc2)CC1 ZINC000278735485 427450824 /nfs/dbraw/zinc/45/08/24/427450824.db2.gz NAHMAPYVIVLFAM-UHFFFAOYSA-N 1 0 315.461 2.633 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC000278795757 427454324 /nfs/dbraw/zinc/45/43/24/427454324.db2.gz YXRAEENEHYOIBB-HUUCEWRRSA-N 1 0 322.449 2.552 20 10 DFCDRO C[C@H](c1cnccn1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000184412428 427454838 /nfs/dbraw/zinc/45/48/38/427454838.db2.gz LHPLRMYFDRHBJI-OAHLLOKOSA-N 1 0 312.417 2.506 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1O ZINC000271252203 427468450 /nfs/dbraw/zinc/46/84/50/427468450.db2.gz XEVQQOPCMSJLNT-MRXNPFEDSA-N 1 0 319.376 2.623 20 10 DFCDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000271259760 427470951 /nfs/dbraw/zinc/47/09/51/427470951.db2.gz JJAIVMFMNNSXNN-CQSZACIVSA-N 1 0 306.406 2.833 20 10 DFCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000271273046 427477517 /nfs/dbraw/zinc/47/75/17/427477517.db2.gz KEHCVQGKZIJGKU-LBPRGKRZSA-N 1 0 306.797 2.549 20 10 DFCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000271273045 427477971 /nfs/dbraw/zinc/47/79/71/427477971.db2.gz KEHCVQGKZIJGKU-GFCCVEGCSA-N 1 0 306.797 2.549 20 10 DFCDRO Oc1ccccc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278184488 427424674 /nfs/dbraw/zinc/42/46/74/427424674.db2.gz FMUURGWERNEGPY-UHFFFAOYSA-N 1 0 302.349 2.970 20 10 DFCDRO CCN(CC)c1ccc(C[NH+]2CCC(O)(COC)CC2)cc1 ZINC000271157722 427425416 /nfs/dbraw/zinc/42/54/16/427425416.db2.gz BYDWSYFJTDQXBD-UHFFFAOYSA-N 1 0 306.450 2.506 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278166031 427425637 /nfs/dbraw/zinc/42/56/37/427425637.db2.gz FEXZGDJMBXNNAX-UWVGGRQHSA-N 1 0 312.391 2.635 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278306541 427427943 /nfs/dbraw/zinc/42/79/43/427427943.db2.gz DUWSBRSBHXQRKD-IINYFYTJSA-N 1 0 319.323 2.536 20 10 DFCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000278315815 427428448 /nfs/dbraw/zinc/42/84/48/427428448.db2.gz FOZHIFFKLHTFDA-TVQRCGJNSA-N 1 0 307.287 2.667 20 10 DFCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278395261 427429654 /nfs/dbraw/zinc/42/96/54/427429654.db2.gz AYGNNQUBRQGFIT-CQSZACIVSA-N 1 0 302.349 2.970 20 10 DFCDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293813576 427444290 /nfs/dbraw/zinc/44/42/90/427444290.db2.gz OJDDYQNPARSHAN-KRWDZBQOSA-N 1 0 306.450 2.688 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@@H](O)c2ccc(C)cc2)cc1OC ZINC000278584001 427447143 /nfs/dbraw/zinc/44/71/43/427447143.db2.gz DJNKKFCHPUXZRU-MRXNPFEDSA-N 1 0 317.385 2.541 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1O ZINC000184696089 427521114 /nfs/dbraw/zinc/52/11/14/427521114.db2.gz NCCMPQIGRUYQAD-LLVKDONJSA-N 1 0 321.808 2.777 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000294010116 427522516 /nfs/dbraw/zinc/52/25/16/427522516.db2.gz MVIZXPDFNPDBQI-MSOLQXFVSA-N 1 0 303.402 2.934 20 10 DFCDRO Cc1nccn1CCC[NH2+]Cc1cc(Br)ccc1O ZINC000263679059 427538491 /nfs/dbraw/zinc/53/84/91/427538491.db2.gz LSRAKGPOPAUXBU-UHFFFAOYSA-N 1 0 324.222 2.840 20 10 DFCDRO O=C1NCCCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263683605 427538507 /nfs/dbraw/zinc/53/85/07/427538507.db2.gz NIEUIDZIXTXKPS-QGZVFWFLSA-N 1 0 310.397 2.818 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)c(O)c1 ZINC000279054078 427545423 /nfs/dbraw/zinc/54/54/23/427545423.db2.gz YGZSNSUSNHYBAU-SUNYJGFJSA-N 1 0 315.417 2.863 20 10 DFCDRO CCc1nc(CC[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)no1 ZINC000271458807 427548163 /nfs/dbraw/zinc/54/81/63/427548163.db2.gz JVCDBFMYPAJQOH-HNNXBMFYSA-N 1 0 302.422 2.981 20 10 DFCDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cc2c(cc1O)CCCC2 ZINC000184888945 427560034 /nfs/dbraw/zinc/56/00/34/427560034.db2.gz JUVYHBGRCQBLCT-AWEZNQCLSA-N 1 0 316.445 2.934 20 10 DFCDRO CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCOCC1 ZINC000184915900 427563175 /nfs/dbraw/zinc/56/31/75/427563175.db2.gz OWMLXCBOXRKMKG-BBRMVZONSA-N 1 0 310.413 2.539 20 10 DFCDRO C[S@](=O)C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000184937953 427567986 /nfs/dbraw/zinc/56/79/86/427567986.db2.gz FHUWABFJDLPSRR-BTYIYWSLSA-N 1 0 307.390 2.741 20 10 DFCDRO COc1cccc(C[NH2+][C@H](CO)c2ccc(Cl)cc2)c1O ZINC000271558043 427580412 /nfs/dbraw/zinc/58/04/12/427580412.db2.gz RTZLAGDFDBZJRP-CQSZACIVSA-N 1 0 307.777 2.877 20 10 DFCDRO Cc1cccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1O ZINC000271734303 427583626 /nfs/dbraw/zinc/58/36/26/427583626.db2.gz OCWRYGLOPGDIME-SFHVURJKSA-N 1 0 315.413 2.710 20 10 DFCDRO Cc1cccc(C[NH+]2CCN(c3ncccc3F)CC2)c1O ZINC000271894331 427591281 /nfs/dbraw/zinc/59/12/81/427591281.db2.gz XWLOVTDQAPUWJZ-UHFFFAOYSA-N 1 0 301.365 2.557 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000271870273 427592312 /nfs/dbraw/zinc/59/23/12/427592312.db2.gz XKCOBIDXUWIZFZ-APPDUMDISA-N 1 0 305.349 2.752 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]C(C)(C)[C@@H](C)O)c1O ZINC000271866080 427592423 /nfs/dbraw/zinc/59/24/23/427592423.db2.gz WGCXPZAYJBDWFE-SECBINFHSA-N 1 0 302.212 2.712 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000271870278 427593457 /nfs/dbraw/zinc/59/34/57/427593457.db2.gz XKCOBIDXUWIZFZ-GTNSWQLSSA-N 1 0 305.349 2.752 20 10 DFCDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000271940780 427599106 /nfs/dbraw/zinc/59/91/06/427599106.db2.gz BQZYGRBDDSFUJP-KBPBESRZSA-N 1 0 307.390 2.804 20 10 DFCDRO Cc1cc(C[NH+]2CCC(Cn3cncn3)CC2)ccc1N(C)C ZINC000294742028 427647882 /nfs/dbraw/zinc/64/78/82/427647882.db2.gz WXFBRVXUSHESTG-UHFFFAOYSA-N 1 0 313.449 2.565 20 10 DFCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1)C(N)=O ZINC000294751200 427650979 /nfs/dbraw/zinc/65/09/79/427650979.db2.gz IESNTAMAWGXKMK-GFCCVEGCSA-N 1 0 308.397 2.645 20 10 DFCDRO C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(F)ccc1O ZINC000185444447 427653847 /nfs/dbraw/zinc/65/38/47/427653847.db2.gz LXXJUOMGUMOQEW-GFCCVEGCSA-N 1 0 308.397 2.831 20 10 DFCDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185467587 427658097 /nfs/dbraw/zinc/65/80/97/427658097.db2.gz LAHFZPSUBDJFBI-SCLBCKFNSA-N 1 0 307.434 2.709 20 10 DFCDRO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000294792278 427659383 /nfs/dbraw/zinc/65/93/83/427659383.db2.gz MAVJOWKAWGLGIA-NSHDSACASA-N 1 0 312.797 2.708 20 10 DFCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCO[C@H](c2cccnc2)C1 ZINC000295003458 427668516 /nfs/dbraw/zinc/66/85/16/427668516.db2.gz LMWXUTPFRWRUMY-RDJZCZTQSA-N 1 0 302.349 2.936 20 10 DFCDRO COC[C@@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295032500 427668568 /nfs/dbraw/zinc/66/85/68/427668568.db2.gz NFSXOKAGUWOSHA-QGZVFWFLSA-N 1 0 318.461 2.770 20 10 DFCDRO COc1cc(O)c(C[NH2+]CCCc2ncccc2C)cc1OC ZINC000294995911 427669650 /nfs/dbraw/zinc/66/96/50/427669650.db2.gz KZVLEZUABVYIEJ-UHFFFAOYSA-N 1 0 316.401 2.835 20 10 DFCDRO Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000294932578 427667521 /nfs/dbraw/zinc/66/75/21/427667521.db2.gz DFOHKGIWYDIFEW-IBGZPJMESA-N 1 0 323.440 2.694 20 10 DFCDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c(=O)n1C ZINC000279458122 427678291 /nfs/dbraw/zinc/67/82/91/427678291.db2.gz IRQVTQWYWJDWSZ-NSHDSACASA-N 1 0 306.793 2.904 20 10 DFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC000193337178 427686635 /nfs/dbraw/zinc/68/66/35/427686635.db2.gz FDLWTAWNEPAEOU-GASCZTMLSA-N 1 0 318.417 2.691 20 10 DFCDRO OC[C@@H](CC1CCC1)[NH2+]Cc1cc(Br)ccc1O ZINC000279663974 427714883 /nfs/dbraw/zinc/71/48/83/427714883.db2.gz GQVMDPXKCOHKPJ-CYBMUJFWSA-N 1 0 314.223 2.795 20 10 DFCDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000279673912 427715782 /nfs/dbraw/zinc/71/57/82/427715782.db2.gz IBUPRPWMJHZKDF-ZDUSSCGKSA-N 1 0 310.825 2.702 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000299522147 427766938 /nfs/dbraw/zinc/76/69/38/427766938.db2.gz LNNUYZDBDUXOOZ-SFHVURJKSA-N 1 0 315.461 2.730 20 10 DFCDRO CC[C@H]([NH2+][C@@H](C)[C@H](C)N1CCOCC1)c1ccc(C)cc1O ZINC000280011181 427725683 /nfs/dbraw/zinc/72/56/83/427725683.db2.gz GSHPFPAUYKPYFZ-ZOBUZTSGSA-N 1 0 306.450 2.851 20 10 DFCDRO COc1ccc(N2CC[NH+](C[C@H]3CCC=CO3)CC2)cc1F ZINC000194064475 427729379 /nfs/dbraw/zinc/72/93/79/427729379.db2.gz FKNWTECPLRGELC-OAHLLOKOSA-N 1 0 306.381 2.649 20 10 DFCDRO CC(C)[N@H+](CCN1CCCC1=O)Cc1ccc(N(C)C)cc1 ZINC000299084308 427748607 /nfs/dbraw/zinc/74/86/07/427748607.db2.gz GNMMWFYPHCGKPU-UHFFFAOYSA-N 1 0 303.450 2.585 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000369921152 428091709 /nfs/dbraw/zinc/09/17/09/428091709.db2.gz UUNLKFLOUWRIRO-MRXNPFEDSA-N 1 0 302.418 2.930 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCO[C@@H]3CCC[C@H]32)c1O ZINC000370170917 428149343 /nfs/dbraw/zinc/14/93/43/428149343.db2.gz VWUYHYSMWGKYRX-HZPDHXFCSA-N 1 0 307.365 2.877 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370259840 428169746 /nfs/dbraw/zinc/16/97/46/428169746.db2.gz DXVIGBKMRFXHRY-GOSISDBHSA-N 1 0 324.424 2.634 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCN(C(=O)C(C)(C)C)CC2)c1O ZINC000371417950 428389782 /nfs/dbraw/zinc/38/97/82/428389782.db2.gz MKSVVGVMEVHFEU-UHFFFAOYSA-N 1 0 304.434 2.781 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+](C)C2CCN(c3ncccn3)CC2)c1 ZINC000371421437 428389855 /nfs/dbraw/zinc/38/98/55/428389855.db2.gz SRXPYUFBMXQIDQ-UHFFFAOYSA-N 1 0 312.417 2.591 20 10 DFCDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc(Cl)ccc1O ZINC000371471470 428392208 /nfs/dbraw/zinc/39/22/08/428392208.db2.gz UQKOMSYHSRIHRD-INMHGKMJSA-N 1 0 324.852 2.729 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1N1CCOCC1)c1ccccc1O ZINC000371681556 428399940 /nfs/dbraw/zinc/39/99/40/428399940.db2.gz ROQGURLERIANNP-YQQAZPJKSA-N 1 0 304.434 2.544 20 10 DFCDRO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC000360793413 428443009 /nfs/dbraw/zinc/44/30/09/428443009.db2.gz OLWAANPFYRROAH-INIZCTEOSA-N 1 0 300.406 2.746 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1O ZINC000372433622 428445386 /nfs/dbraw/zinc/44/53/86/428445386.db2.gz MEQCGIVXSSNLIR-AWEZNQCLSA-N 1 0 315.417 2.904 20 10 DFCDRO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2O)n1 ZINC000361050123 428532177 /nfs/dbraw/zinc/53/21/77/428532177.db2.gz FUJBLDRBVYJREO-MRXNPFEDSA-N 1 0 318.396 2.794 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cccc(C)c2O)C[C@@]2(CCCOC2)O1 ZINC000373470953 428585321 /nfs/dbraw/zinc/58/53/21/428585321.db2.gz UYRJKEOYZOUNQP-FUHWJXTLSA-N 1 0 305.418 2.861 20 10 DFCDRO Cc1ccc(N2CCC[C@@H]([N@H+](C)Cc3ccccc3O)C2)nn1 ZINC000361050386 428533443 /nfs/dbraw/zinc/53/34/43/428533443.db2.gz GZGSFDWZBKCBAS-MRXNPFEDSA-N 1 0 312.417 2.591 20 10 DFCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373270413 428534801 /nfs/dbraw/zinc/53/48/01/428534801.db2.gz KHVOLUYAFSMVKP-AWEZNQCLSA-N 1 0 312.207 2.502 20 10 DFCDRO CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccc2c(c1)CCN2C ZINC000373520985 428597370 /nfs/dbraw/zinc/59/73/70/428597370.db2.gz KOWUFNXRCTXBII-UHFFFAOYSA-N 1 0 318.852 2.918 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000373601413 428615117 /nfs/dbraw/zinc/61/51/17/428615117.db2.gz NSGXGHHZWRZPIH-INIZCTEOSA-N 1 0 302.418 2.834 20 10 DFCDRO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](C)O2 ZINC000374014460 428658813 /nfs/dbraw/zinc/65/88/13/428658813.db2.gz OBRJUSJFVFVPDK-GJYPPUQNSA-N 1 0 318.461 2.911 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000374256022 428670803 /nfs/dbraw/zinc/67/08/03/428670803.db2.gz UCWRNBKZYFJUFR-MOPGFXCFSA-N 1 0 316.445 2.667 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000374412917 428679194 /nfs/dbraw/zinc/67/91/94/428679194.db2.gz WGUKKCVFKJHYEM-OLZOCXBDSA-N 1 0 307.365 2.592 20 10 DFCDRO Cc1cc(C)cc(N(C)C(=O)c2cn[nH]c2[C@H]2CCC[NH2+]C2)c1 ZINC000423060369 429053710 /nfs/dbraw/zinc/05/37/10/429053710.db2.gz HXUQDWGMIXTOJM-AWEZNQCLSA-N 1 0 312.417 2.770 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000363910105 429139645 /nfs/dbraw/zinc/13/96/45/429139645.db2.gz UGENOJRGMCGPKA-NWDGAFQWSA-N 1 0 311.809 2.913 20 10 DFCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CCSC3)CC2)cc1 ZINC000365876916 429394431 /nfs/dbraw/zinc/39/44/31/429394431.db2.gz LWVBBADZPAYWIV-OAHLLOKOSA-N 1 0 306.475 2.960 20 10 DFCDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000449362345 429397904 /nfs/dbraw/zinc/39/79/04/429397904.db2.gz LCLGQBKBFAKSQM-CQSZACIVSA-N 1 0 319.449 2.502 20 10 DFCDRO Cc1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000366775895 429511948 /nfs/dbraw/zinc/51/19/48/429511948.db2.gz YWTMIVVCHXNRTK-RLFYNMQTSA-N 1 0 305.418 2.859 20 10 DFCDRO Cc1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000366775894 429513318 /nfs/dbraw/zinc/51/33/18/429513318.db2.gz YWTMIVVCHXNRTK-MPGHIAIKSA-N 1 0 305.418 2.859 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000367356298 429629687 /nfs/dbraw/zinc/62/96/87/429629687.db2.gz LTIUBNXRYUIOPN-FUHWJXTLSA-N 1 0 318.461 2.888 20 10 DFCDRO COC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cc(OC)ccc2O)CC12CCC2 ZINC000367371710 429635278 /nfs/dbraw/zinc/63/52/78/429635278.db2.gz QUGXZSJQQBUTMZ-SWLSCSKDSA-N 1 0 319.401 2.737 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)[C@@]12CCCO2 ZINC000296280763 276355110 /nfs/dbraw/zinc/35/51/10/276355110.db2.gz CPHZKOPAESJQKG-SCNOPHJPSA-N 1 0 303.402 2.696 20 10 DFCDRO COCCn1cc2c(n1)[C@H]([NH2+][C@H](C)c1ccccc1O)CCC2 ZINC000368187398 429805095 /nfs/dbraw/zinc/80/50/95/429805095.db2.gz FWLXYNHLSFHXTM-CZUORRHYSA-N 1 0 315.417 2.963 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000368024782 429770712 /nfs/dbraw/zinc/77/07/12/429770712.db2.gz UUYUGMSWJJWERW-XZDPQHSOSA-N 1 0 302.418 2.962 20 10 DFCDRO C[N@H+](CCC(N)=O)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000368038014 429771630 /nfs/dbraw/zinc/77/16/30/429771630.db2.gz OFILMEOPPGMPNK-UHFFFAOYSA-N 1 0 323.440 2.557 20 10 DFCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)COc2ccccc2O1 ZINC000527737540 429788601 /nfs/dbraw/zinc/78/86/01/429788601.db2.gz WABLQPMBGXRIOM-IBGZPJMESA-N 1 0 311.381 2.941 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1cc(Cl)ccc1O ZINC000368332347 429831430 /nfs/dbraw/zinc/83/14/30/429831430.db2.gz NHBIZYLFRPFNOI-SMDDNHRTSA-N 1 0 310.825 2.559 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c(O)c1C ZINC000368325007 429831655 /nfs/dbraw/zinc/83/16/55/429831655.db2.gz WPVCWTXXWAVNEF-HRCADAONSA-N 1 0 304.434 2.523 20 10 DFCDRO CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000528004549 429835331 /nfs/dbraw/zinc/83/53/31/429835331.db2.gz RTCHSYKDSXZAPY-HZPDHXFCSA-N 1 0 308.381 2.796 20 10 DFCDRO Cc1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)c(C)n1-c1ccccc1 ZINC000368377664 429838725 /nfs/dbraw/zinc/83/87/25/429838725.db2.gz NHXNVKAMQUMGBS-SFHVURJKSA-N 1 0 323.440 2.966 20 10 DFCDRO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000368695030 429888912 /nfs/dbraw/zinc/88/89/12/429888912.db2.gz QTHHHYBEMOFKOH-ZDUSSCGKSA-N 1 0 315.373 2.505 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000287236452 276636932 /nfs/dbraw/zinc/63/69/32/276636932.db2.gz YLAYHZAQCSEYJK-YOEHRIQHSA-N 1 0 324.490 2.618 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(n3cccn3)CC2)c1 ZINC000368799046 429894977 /nfs/dbraw/zinc/89/49/77/429894977.db2.gz UOGYVAZPEDHSID-ZDUSSCGKSA-N 1 0 301.390 2.995 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000369051869 429909548 /nfs/dbraw/zinc/90/95/48/429909548.db2.gz PMLYYRNXHVJJNK-UHFFFAOYSA-N 1 0 315.392 2.947 20 10 DFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000279821289 277325970 /nfs/dbraw/zinc/32/59/70/277325970.db2.gz GHSFLDFOBZELSI-IVMMDQJWSA-N 1 0 322.424 2.959 20 10 DFCDRO CC(C)c1cccc(N(C)C(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)c1 ZINC000662536784 431109286 /nfs/dbraw/zinc/10/92/86/431109286.db2.gz ZYUKQZDKSFELLW-CQSZACIVSA-N 1 0 312.417 2.887 20 10 DFCDRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1cc(Cl)ccc1O ZINC000185115957 279467348 /nfs/dbraw/zinc/46/73/48/279467348.db2.gz GOTPLDKTCRDECI-LBPRGKRZSA-N 1 0 312.841 2.543 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000367667735 288167385 /nfs/dbraw/zinc/16/73/85/288167385.db2.gz CZRHCYOBGRXTOE-ZMSDIMECSA-N 1 0 304.434 2.638 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)c1O ZINC000527805739 300694294 /nfs/dbraw/zinc/69/42/94/300694294.db2.gz HKVCKPCFPDLGIC-INIZCTEOSA-N 1 0 304.434 2.897 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c(O)c1C ZINC000273432241 301710581 /nfs/dbraw/zinc/71/05/81/301710581.db2.gz WBFVPPOJCSBBMG-OAHLLOKOSA-N 1 0 306.450 2.770 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000293959106 335116005 /nfs/dbraw/zinc/11/60/05/335116005.db2.gz JGECIFHKCPBXDX-MSOLQXFVSA-N 1 0 303.402 2.934 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+]2CCOC[C@@H](C)C2)c1O ZINC000378446517 333039238 /nfs/dbraw/zinc/03/92/38/333039238.db2.gz ZLCKWTPCRSZODZ-JTQLQIEISA-N 1 0 314.223 2.931 20 10 DFCDRO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000182847471 333048249 /nfs/dbraw/zinc/04/82/49/333048249.db2.gz LJXSOHVOAQKHTG-LSDHHAIUSA-N 1 0 303.450 2.619 20 10 DFCDRO O=C(C=Cc1c[nH]cn1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000294118473 335120232 /nfs/dbraw/zinc/12/02/32/335120232.db2.gz KCSIKGZIYWEWBW-XVJNWHFHSA-N 1 0 308.385 2.829 20 10 DFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000294797364 335127410 /nfs/dbraw/zinc/12/74/10/335127410.db2.gz VSQSLXLPOUZNKF-MWLCHTKSSA-N 1 0 315.772 2.816 20 10 DFCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000184614741 333199206 /nfs/dbraw/zinc/19/92/06/333199206.db2.gz BXSIBPCRSHLFOG-OAHLLOKOSA-N 1 0 317.477 2.879 20 10 DFCDRO OC1(c2cccnc2)CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000185695034 333212110 /nfs/dbraw/zinc/21/21/10/333212110.db2.gz ALKKSSVFRGSLKA-UHFFFAOYSA-N 1 0 324.424 2.937 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1 ZINC000295024119 335129965 /nfs/dbraw/zinc/12/99/65/335129965.db2.gz CMNWKFUAQBBAGL-GOSISDBHSA-N 1 0 302.393 2.585 20 10 DFCDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296278988 335142754 /nfs/dbraw/zinc/14/27/54/335142754.db2.gz DYKCWOLOPZWSGT-KBPBESRZSA-N 1 0 324.440 2.862 20 10 DFCDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296278993 335142851 /nfs/dbraw/zinc/14/28/51/335142851.db2.gz DYKCWOLOPZWSGT-KGLIPLIRSA-N 1 0 324.440 2.862 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cc(Br)ccc1O ZINC000296361800 335143829 /nfs/dbraw/zinc/14/38/29/335143829.db2.gz IVBJTMVVEOMCTI-FOGDFJRCSA-N 1 0 314.223 2.966 20 10 DFCDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296438992 335144541 /nfs/dbraw/zinc/14/45/41/335144541.db2.gz MEFMXZFFGXXNCO-CABCVRRESA-N 1 0 324.440 2.722 20 10 DFCDRO C[C@H](CCCO)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296438996 335144573 /nfs/dbraw/zinc/14/45/73/335144573.db2.gz MEFMXZFFGXXNCO-HUUCEWRRSA-N 1 0 324.440 2.722 20 10 DFCDRO C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000296640974 335145513 /nfs/dbraw/zinc/14/55/13/335145513.db2.gz YBLAGPGICZRCIE-CQSZACIVSA-N 1 0 324.440 2.722 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c(O)c1 ZINC000297267945 335152358 /nfs/dbraw/zinc/15/23/58/335152358.db2.gz KMXBYRDCFIZTFG-JKSUJKDBSA-N 1 0 306.450 2.506 20 10 DFCDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271419508 334023140 /nfs/dbraw/zinc/02/31/40/334023140.db2.gz BSSLJBUDGAZBLP-HUUCEWRRSA-N 1 0 324.440 2.722 20 10 DFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cn1 ZINC000276402261 334077156 /nfs/dbraw/zinc/07/71/56/334077156.db2.gz UPNXWFJRUKEJKV-UHFFFAOYSA-N 1 0 315.392 2.689 20 10 DFCDRO Fc1cc(C[NH2+]C[C@@H]2CCSC2)ccc1N1CCOCC1 ZINC000278404425 334096138 /nfs/dbraw/zinc/09/61/38/334096138.db2.gz OHBWYCPSFHSFQZ-AWEZNQCLSA-N 1 0 310.438 2.505 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)c1cc(F)ccc1O ZINC000278886461 334103030 /nfs/dbraw/zinc/10/30/30/334103030.db2.gz DDDMOJSLTBCVJF-NVGCLXPQSA-N 1 0 319.380 2.693 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+](CC2CCC2)[C@@H](C)CO)c1O ZINC000280231076 334115521 /nfs/dbraw/zinc/11/55/21/334115521.db2.gz AJWOZGOYHSMKEW-NSHDSACASA-N 1 0 309.381 2.717 20 10 DFCDRO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000126477452 334862039 /nfs/dbraw/zinc/86/20/39/334862039.db2.gz HECJWDYXEVTTQH-ZDUSSCGKSA-N 1 0 315.392 2.667 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c1O ZINC000366927048 335372734 /nfs/dbraw/zinc/37/27/34/335372734.db2.gz VKJVZOYVKPRWGS-UKRRQHHQSA-N 1 0 308.809 2.501 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)C[NH+]1CCC(C)CC1 ZINC000352112395 336195467 /nfs/dbraw/zinc/19/54/67/336195467.db2.gz SUHLBIGNYXYUON-UHFFFAOYSA-N 1 0 313.445 2.835 20 10 DFCDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352134264 336196275 /nfs/dbraw/zinc/19/62/75/336196275.db2.gz IKNSEJYZVZNZHK-QGZVFWFLSA-N 1 0 313.445 2.977 20 10 DFCDRO COc1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000301080158 336288870 /nfs/dbraw/zinc/28/88/70/336288870.db2.gz STTOXAWPVXMBLM-UHFFFAOYSA-N 1 0 308.385 2.898 20 10 DFCDRO Cc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)ncn1 ZINC000301245019 336296427 /nfs/dbraw/zinc/29/64/27/336296427.db2.gz NUWHXSVJWGTXBF-UHFFFAOYSA-N 1 0 312.417 2.606 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)c1O ZINC000367347811 336675640 /nfs/dbraw/zinc/67/56/40/336675640.db2.gz BHRQATMVZYANRS-KGLIPLIRSA-N 1 0 308.809 2.597 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000368164286 336839800 /nfs/dbraw/zinc/83/98/00/336839800.db2.gz TXIRIMKGKHJTBE-HNNXBMFYSA-N 1 0 305.418 2.718 20 10 DFCDRO Oc1ccc(Br)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000368442567 336844873 /nfs/dbraw/zinc/84/48/73/336844873.db2.gz POKVZWFCVHBKEN-JTQLQIEISA-N 1 0 312.207 2.623 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000368979112 336856029 /nfs/dbraw/zinc/85/60/29/336856029.db2.gz XRZSZMMPFRNQDK-HNNXBMFYSA-N 1 0 315.417 2.825 20 10 DFCDRO CCOC(=O)C1(C)CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000371614480 336909062 /nfs/dbraw/zinc/90/90/62/336909062.db2.gz CQLQWAZUTAOWEI-UHFFFAOYSA-N 1 0 321.417 2.956 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2N2CCOCC2)c(O)c1 ZINC000371870275 336915372 /nfs/dbraw/zinc/91/53/72/336915372.db2.gz OXWJLLLDYPOIDH-BQFCYCMXSA-N 1 0 318.461 2.852 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)C[C@H](C)O)CC2)cc1 ZINC000305098562 337013225 /nfs/dbraw/zinc/01/32/25/337013225.db2.gz ABWBOKWUESAICH-CABCVRRESA-N 1 0 306.450 2.661 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)C[C@@H](C)O)CC2)cc1 ZINC000305098564 337013271 /nfs/dbraw/zinc/01/32/71/337013271.db2.gz ABWBOKWUESAICH-HUUCEWRRSA-N 1 0 306.450 2.661 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000305147095 337015760 /nfs/dbraw/zinc/01/57/60/337015760.db2.gz SAIPDKTUTCRVTP-MSOLQXFVSA-N 1 0 304.434 2.557 20 10 DFCDRO COCc1nccc([C@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000375843550 337021096 /nfs/dbraw/zinc/02/10/96/337021096.db2.gz SYTCAKBGZAUNDJ-AWEZNQCLSA-N 1 0 313.401 2.708 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1O ZINC000376147096 337028395 /nfs/dbraw/zinc/02/83/95/337028395.db2.gz YQPVYKGBSIEYHG-GJZGRUSLSA-N 1 0 317.433 2.723 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CN2CCCC[C@H]2CO1)c1cc(Cl)ccc1O ZINC000376892182 337043277 /nfs/dbraw/zinc/04/32/77/337043277.db2.gz IGMKATRHAQBELR-AEGPPILISA-N 1 0 324.852 2.950 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1cc(F)ccc1O ZINC000376896176 337043462 /nfs/dbraw/zinc/04/34/62/337043462.db2.gz YXQQVVWGZMKYFZ-RRQGHBQHSA-N 1 0 322.424 2.825 20 10 DFCDRO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCN3C)c(C(C)(C)C)n1 ZINC000376937451 337043800 /nfs/dbraw/zinc/04/38/00/337043800.db2.gz NIJQQEMRKOGNFA-UHFFFAOYSA-N 1 0 312.461 3.000 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000377403326 337052034 /nfs/dbraw/zinc/05/20/34/337052034.db2.gz NLUMPRKWKXNMLD-XJKSGUPXSA-N 1 0 305.761 2.630 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000378099605 337066435 /nfs/dbraw/zinc/06/64/35/337066435.db2.gz DYBFPHAGENJAGE-LBPRGKRZSA-N 1 0 322.206 2.525 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c1O ZINC000378127993 337066836 /nfs/dbraw/zinc/06/68/36/337066836.db2.gz HHVOAQVWQNSIDN-INIZCTEOSA-N 1 0 313.825 2.895 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@H](OC)C(C)C)CC2)cc1 ZINC000378184932 337067897 /nfs/dbraw/zinc/06/78/97/337067897.db2.gz PCROGWMIBYEJIA-SFHVURJKSA-N 1 0 306.450 2.925 20 10 DFCDRO Cc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000378442458 337072828 /nfs/dbraw/zinc/07/28/28/337072828.db2.gz NVOZVXNFAWRUHH-DLBZAZTESA-N 1 0 315.417 2.522 20 10 DFCDRO Cc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000378442461 337072856 /nfs/dbraw/zinc/07/28/56/337072856.db2.gz NVOZVXNFAWRUHH-SJORKVTESA-N 1 0 315.417 2.522 20 10 DFCDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3c(O)ccc4ccccc43)C2)cn1 ZINC000378477268 337073716 /nfs/dbraw/zinc/07/37/16/337073716.db2.gz SSMBRZIRCWLKJX-OAHLLOKOSA-N 1 0 322.412 2.647 20 10 DFCDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)c(C)n1-c1ccc(F)cc1 ZINC000178763812 337165053 /nfs/dbraw/zinc/16/50/53/337165053.db2.gz VDBNZTHBSIPACR-HNNXBMFYSA-N 1 0 315.392 2.715 20 10 DFCDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]2)c(C)n1-c1ccc(F)cc1 ZINC000178763818 337165071 /nfs/dbraw/zinc/16/50/71/337165071.db2.gz VDBNZTHBSIPACR-OAHLLOKOSA-N 1 0 315.392 2.715 20 10 DFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(n3cncn3)CC2)c1O ZINC000179902561 337172411 /nfs/dbraw/zinc/17/24/11/337172411.db2.gz PAPOADFSIKHJKU-UHFFFAOYSA-N 1 0 306.797 2.783 20 10 DFCDRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1O)CC2 ZINC000183597461 337193691 /nfs/dbraw/zinc/19/36/91/337193691.db2.gz PBFXYBGNTCOXBW-OLZOCXBDSA-N 1 0 300.406 2.773 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)ccc1O ZINC000185553418 337249033 /nfs/dbraw/zinc/24/90/33/337249033.db2.gz TYFOKIBKFPOAKW-OCCSQVGLSA-N 1 0 318.396 2.584 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1F ZINC000269891605 337638464 /nfs/dbraw/zinc/63/84/64/337638464.db2.gz CODFUMHDRARXQB-IAOVAPTHSA-N 1 0 304.409 2.939 20 10 DFCDRO COc1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1C ZINC000527807193 337765307 /nfs/dbraw/zinc/76/53/07/337765307.db2.gz BJMZKBJHUQFJDV-UHFFFAOYSA-N 1 0 304.434 2.742 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)CC2 ZINC000527934551 337776933 /nfs/dbraw/zinc/77/69/33/337776933.db2.gz ROWZYZAORSPAPR-WCQYABFASA-N 1 0 311.307 2.969 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000528016716 337784010 /nfs/dbraw/zinc/78/40/10/337784010.db2.gz UQDLLPPJDOZCEJ-ZDUSSCGKSA-N 1 0 320.433 2.700 20 10 DFCDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000529654550 340766943 /nfs/dbraw/zinc/76/69/43/340766943.db2.gz YHGCNIJYPDHHEN-OLZOCXBDSA-N 1 0 300.196 2.812 20 10 DFCDRO COC[C@]1([NH2+]Cc2cccc(C)c2O)COc2ccccc2C1 ZINC000529669149 340767461 /nfs/dbraw/zinc/76/74/61/340767461.db2.gz OUCAKHKBEQYWHB-IBGZPJMESA-N 1 0 313.397 2.811 20 10 DFCDRO COc1ccc(N2CC[NH+](Cc3ccc(CO)cc3)CC2)cc1 ZINC000272337717 341627498 /nfs/dbraw/zinc/62/74/98/341627498.db2.gz NUTWQIJJJLHRTE-UHFFFAOYSA-N 1 0 312.413 2.510 20 10 DFCDRO CC[N@H+](CCC(C)=O)Cc1cc(Br)ccc1O ZINC000157081589 520994089 /nfs/dbraw/zinc/99/40/89/520994089.db2.gz XQOZLJDDZNLIIN-UHFFFAOYSA-N 1 0 300.196 2.956 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@@H](C)O)c1O ZINC000267393832 518279188 /nfs/dbraw/zinc/27/91/88/518279188.db2.gz PKBVSDYEJJIZDM-ABAIWWIYSA-N 1 0 311.809 2.984 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000129151194 518287232 /nfs/dbraw/zinc/28/72/32/518287232.db2.gz BZFXTLZLVUWSMC-DYVFJYSZSA-N 1 0 320.408 2.650 20 10 DFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179931739 519874083 /nfs/dbraw/zinc/87/40/83/519874083.db2.gz JLBAGCTWPOPBKB-CQSZACIVSA-N 1 0 320.433 2.529 20 10 DFCDRO CCOCc1cc(C[NH2+]CC(C)(C)C(=O)OC)ccc1OC ZINC000182227850 520184862 /nfs/dbraw/zinc/18/48/62/520184862.db2.gz BFGCKTIBFCKLKH-UHFFFAOYSA-N 1 0 309.406 2.521 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)ccc1OC ZINC000189929795 520186364 /nfs/dbraw/zinc/18/63/64/520186364.db2.gz IQKGEBBHTPVQFQ-NVXWUHKLSA-N 1 0 307.434 2.872 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)cc1 ZINC000156751415 520289494 /nfs/dbraw/zinc/28/94/94/520289494.db2.gz PNXBLWHBPLFSOG-HOTGVXAUSA-N 1 0 305.466 2.514 20 10 DFCDRO CCCOc1ccc(C[N@H+](CC)C[C@@H](O)C(F)(F)F)c(O)c1 ZINC000189863923 520345384 /nfs/dbraw/zinc/34/53/84/520345384.db2.gz OHGCQXFNTVCBAK-CQSZACIVSA-N 1 0 321.339 2.926 20 10 DFCDRO CCCCOC[C@@H](O)C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000365033497 520797817 /nfs/dbraw/zinc/79/78/17/520797817.db2.gz IECVKEIGULIDJN-IBGZPJMESA-N 1 0 318.461 2.629 20 10 DFCDRO CN(C)[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)CCSC1 ZINC000267038616 522062677 /nfs/dbraw/zinc/06/26/77/522062677.db2.gz CETJHMUCFOYCPC-CQSZACIVSA-N 1 0 300.855 2.573 20 10 DFCDRO CN(C)c1ccc(C2=CC[N@H+](C[C@H](O)COC(C)(C)C)C2)cc1 ZINC000364965635 522157631 /nfs/dbraw/zinc/15/76/31/522157631.db2.gz BABOJDQUXCNAPV-SFHVURJKSA-N 1 0 318.461 2.628 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000182095892 522212352 /nfs/dbraw/zinc/21/23/52/522212352.db2.gz NCVVTQHPIBGOTO-PGRDOPGGSA-N 1 0 316.470 2.962 20 10 DFCDRO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180138729 522593541 /nfs/dbraw/zinc/59/35/41/522593541.db2.gz AMXKXWONHAPMQI-OAHLLOKOSA-N 1 0 315.417 2.997 20 10 DFCDRO COC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccc(C)o1 ZINC000182529390 522748329 /nfs/dbraw/zinc/74/83/29/522748329.db2.gz PRBVFKFFWAJIEP-ZDUSSCGKSA-N 1 0 321.373 2.788 20 10 DFCDRO CN(CC[NH2+]Cc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC000227760360 522868134 /nfs/dbraw/zinc/86/81/34/522868134.db2.gz YXLKGOAUYKOZCX-UHFFFAOYSA-N 1 0 306.406 2.578 20 10 DFCDRO COCCO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000188825136 524036844 /nfs/dbraw/zinc/03/68/44/524036844.db2.gz OQXLTQNVVRPSLU-IBGZPJMESA-N 1 0 318.461 2.914 20 10 DFCDRO Cc1cccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000182101758 524435662 /nfs/dbraw/zinc/43/56/62/524435662.db2.gz BFYGOBGVANBONT-KKSFZXQISA-N 1 0 303.427 2.910 20 10 DFCDRO Cc1cccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000182101817 524441298 /nfs/dbraw/zinc/44/12/98/524441298.db2.gz BFYGOBGVANBONT-IIBYNOLFSA-N 1 0 303.427 2.910 20 10 DFCDRO C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)O1 ZINC000188569092 524589681 /nfs/dbraw/zinc/58/96/81/524589681.db2.gz XLMZZUJTCMJBAD-QAPCUYQASA-N 1 0 304.434 2.523 20 10 DFCDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(F)ccc1O ZINC000180145022 524693803 /nfs/dbraw/zinc/69/38/03/524693803.db2.gz CYZCUEOYQNBYFE-NSHDSACASA-N 1 0 312.385 2.876 20 10 DFCDRO COc1ccc(O)c(C[N@H+](CCO)Cc2ccc(C)cc2)c1 ZINC000180844589 524737987 /nfs/dbraw/zinc/73/79/87/524737987.db2.gz QKYVYGPVNGFWTQ-UHFFFAOYSA-N 1 0 301.386 2.704 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)Cc2cccc(C)c2)c1 ZINC000191612077 524767062 /nfs/dbraw/zinc/76/70/62/524767062.db2.gz GBPFUNOHCGKGBX-GDBMZVCRSA-N 1 0 315.413 2.963 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1O ZINC000180067232 524864485 /nfs/dbraw/zinc/86/44/85/524864485.db2.gz ZIYJNWRWUGGQDU-AWEZNQCLSA-N 1 0 306.797 2.783 20 10 DFCDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000191668160 525773793 /nfs/dbraw/zinc/77/37/93/525773793.db2.gz JNHZQYSPESPRSP-QGZVFWFLSA-N 1 0 307.390 2.542 20 10 DFCDRO Cc1cc(C(=O)N2CCC[C@H]([NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000158291354 526249470 /nfs/dbraw/zinc/24/94/70/526249470.db2.gz JOPJDZWSBDBYTM-HNNXBMFYSA-N 1 0 315.392 2.797 20 10 DFCDRO O=C(C[NH2+]Cc1cc(F)ccc1O)N1CCCc2ccccc21 ZINC000180526665 526882242 /nfs/dbraw/zinc/88/22/42/526882242.db2.gz KQTAZJASCXJVCB-UHFFFAOYSA-N 1 0 314.360 2.600 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)[C@]12CCCO2 ZINC000273650487 535507371 /nfs/dbraw/zinc/50/73/71/535507371.db2.gz WLPGJQINCAIMGE-RCCFBDPRSA-N 1 0 305.418 2.825 20 10 DFCDRO CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000286260960 535807984 /nfs/dbraw/zinc/80/79/84/535807984.db2.gz VCVXAVNQBYGVMI-WMLDXEAASA-N 1 0 323.456 2.598 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286263379 536147963 /nfs/dbraw/zinc/14/79/63/536147963.db2.gz BBCHTKANBMTUJH-UKRRQHHQSA-N 1 0 316.367 2.745 20 10 DFCDRO CN1CCCc2cc(CNC(=O)C[C@H]3CCCC[C@H]3[NH3+])ccc21 ZINC000296145145 536396079 /nfs/dbraw/zinc/39/60/79/536396079.db2.gz VMEJWRPVTRTXCQ-NVXWUHKLSA-N 1 0 315.461 2.593 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736817773 598401604 /nfs/dbraw/zinc/40/16/04/598401604.db2.gz JPKWYTJKVYDYPJ-UHFFFAOYSA-N 1 0 322.416 2.565 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826291722 607706176 /nfs/dbraw/zinc/70/61/76/607706176.db2.gz SMWYEEHRVYKOEL-UHFFFAOYSA-N 1 0 321.384 2.660 20 10 DFCDRO COc1cccc(C[N@@H+]2CCCN(c3nccs3)CC2)c1O ZINC000092482850 185321375 /nfs/dbraw/zinc/32/13/75/185321375.db2.gz OXNZELMRBGOTJE-UHFFFAOYSA-N 1 0 319.430 2.570 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)c(O)c1 ZINC000092643872 185330855 /nfs/dbraw/zinc/33/08/55/185330855.db2.gz SJIZOQZQXYQDKI-AWEZNQCLSA-N 1 0 307.390 2.566 20 10 DFCDRO CCC[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1O ZINC000092705059 185334054 /nfs/dbraw/zinc/33/40/54/185334054.db2.gz FOCUOSJCAMOZGF-UHFFFAOYSA-N 1 0 304.415 2.965 20 10 DFCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC000093613067 398641687 /nfs/dbraw/zinc/64/16/87/398641687.db2.gz HEDOOGVOUZXOON-QZTJIDSGSA-N 1 0 318.461 2.505 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000370027883 398653682 /nfs/dbraw/zinc/65/36/82/398653682.db2.gz RJLMAKIEPMLRKJ-MRXNPFEDSA-N 1 0 320.408 2.794 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1 ZINC000093532257 193266850 /nfs/dbraw/zinc/26/68/50/193266850.db2.gz MKUXRVQPQAXYCN-UHFFFAOYSA-N 1 0 316.445 2.925 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccccc1 ZINC000272249324 130012423 /nfs/dbraw/zinc/01/24/23/130012423.db2.gz LPDUSXLKPJVRNG-HOCLYGCPSA-N 1 0 311.429 2.903 20 10 DFCDRO COCCOCCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273391081 130116200 /nfs/dbraw/zinc/11/62/00/130116200.db2.gz KRHASCLJAKSEOK-AWEZNQCLSA-N 1 0 307.434 2.975 20 10 DFCDRO COc1cc(N2CC[NH+](CC3CCC3)CC2)cc(OC)c1OC ZINC000273539400 130133255 /nfs/dbraw/zinc/13/32/55/130133255.db2.gz AKRCZLUTTJKOSL-UHFFFAOYSA-N 1 0 320.433 2.635 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1O ZINC000273811696 130170437 /nfs/dbraw/zinc/17/04/37/130170437.db2.gz ZBFFALUOLZZEOT-GFCCVEGCSA-N 1 0 307.781 2.945 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]CCC(C)(C)O)c1O ZINC000274926996 130275464 /nfs/dbraw/zinc/27/54/64/130275464.db2.gz NIFWWBHYUGRIJE-UHFFFAOYSA-N 1 0 302.212 2.714 20 10 DFCDRO CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)C[C@H](O)C(F)(F)F ZINC000275128393 130293901 /nfs/dbraw/zinc/29/39/01/130293901.db2.gz JUDCJOAQFDVRLN-ZDUSSCGKSA-N 1 0 308.319 2.637 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278428490 130691087 /nfs/dbraw/zinc/69/10/87/130691087.db2.gz JDSRYDCGMOTREG-HUUCEWRRSA-N 1 0 314.433 2.754 20 10 DFCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(F)ccc1O ZINC000285544621 131179568 /nfs/dbraw/zinc/17/95/68/131179568.db2.gz DMRZXAVRQRXMPB-NSHDSACASA-N 1 0 315.410 2.539 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cc(F)ccc1O ZINC000285644006 131188947 /nfs/dbraw/zinc/18/89/47/131188947.db2.gz LCYLDWMVBQGEQO-OWRWGESLSA-N 1 0 308.397 2.875 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Cl)ccc1O ZINC000287214187 131269119 /nfs/dbraw/zinc/26/91/19/131269119.db2.gz XBTHMVTZRKCNMW-MNOVXSKESA-N 1 0 317.838 2.521 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@H](c2nncn2C)C(C)C)c1O ZINC000289070399 131356090 /nfs/dbraw/zinc/35/60/90/131356090.db2.gz AEIWXGRMPLWOPD-ZDUSSCGKSA-N 1 0 308.813 2.969 20 10 DFCDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000289542456 131394741 /nfs/dbraw/zinc/39/47/41/131394741.db2.gz IBBJXAYQGWNJFZ-GXTWGEPZSA-N 1 0 307.390 2.636 20 10 DFCDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000289542463 131394853 /nfs/dbraw/zinc/39/48/53/131394853.db2.gz IBBJXAYQGWNJFZ-TZMCWYRMSA-N 1 0 307.390 2.636 20 10 DFCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000289578049 131398429 /nfs/dbraw/zinc/39/84/29/131398429.db2.gz JVZVLFLWAFTILC-OAHLLOKOSA-N 1 0 321.440 2.772 20 10 DFCDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1O)c1ccsc1 ZINC000299492336 132108080 /nfs/dbraw/zinc/10/80/80/132108080.db2.gz JXYWEBPAXICDNY-AWEZNQCLSA-N 1 0 319.430 2.556 20 10 DFCDRO CC1(C)CC(NC(=O)NCc2ccccc2O)CC(C)(C)[NH2+]1 ZINC000299557171 132111232 /nfs/dbraw/zinc/11/12/32/132111232.db2.gz YSFUQYFLKWYRAO-UHFFFAOYSA-N 1 0 305.422 2.501 20 10 DFCDRO COC[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000211435288 542870249 /nfs/dbraw/zinc/87/02/49/542870249.db2.gz FRJUGTMQYVUNIM-JTQLQIEISA-N 1 0 300.196 2.623 20 10 DFCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000219903131 542878559 /nfs/dbraw/zinc/87/85/59/542878559.db2.gz GXPPUODRLBCHTK-SKDRFNHKSA-N 1 0 300.196 2.812 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(Cl)ccc1O ZINC000297488612 227234482 /nfs/dbraw/zinc/23/44/82/227234482.db2.gz ZVAVYMFMOLMANP-JSGCOSHPSA-N 1 0 312.841 2.543 20 10 DFCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000125991539 425999912 /nfs/dbraw/zinc/99/99/12/425999912.db2.gz VQPZACDUXQTARO-GFCCVEGCSA-N 1 0 310.825 2.784 20 10 DFCDRO COCc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000126031792 426002257 /nfs/dbraw/zinc/00/22/57/426002257.db2.gz PFZDDEHPHVEVIU-UHFFFAOYSA-N 1 0 316.401 2.552 20 10 DFCDRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1O ZINC000109772390 426033006 /nfs/dbraw/zinc/03/30/06/426033006.db2.gz BJVYPVPJTGPHJK-UHFFFAOYSA-N 1 0 324.380 2.510 20 10 DFCDRO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1O ZINC000109773031 426033020 /nfs/dbraw/zinc/03/30/20/426033020.db2.gz BDOIHTYKSRHXCO-CYBMUJFWSA-N 1 0 316.376 2.668 20 10 DFCDRO CC1CCC(N(C)C(=O)C[N@H+](C)Cc2ccccc2O)CC1 ZINC000111236292 426038561 /nfs/dbraw/zinc/03/85/61/426038561.db2.gz HHIWLJYCUBKFNM-UHFFFAOYSA-N 1 0 304.434 2.861 20 10 DFCDRO Cc1ccsc1CNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111236377 426039783 /nfs/dbraw/zinc/03/97/83/426039783.db2.gz LFPYUVYETJRAJL-UHFFFAOYSA-N 1 0 304.415 2.510 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)cc1 ZINC000166410219 426126887 /nfs/dbraw/zinc/12/68/87/426126887.db2.gz KXCVAPIHNCIUKT-HDMKZQKVSA-N 1 0 306.450 2.987 20 10 DFCDRO CC[C@@H]([NH2+][C@@H](C)CO[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000166463281 426127112 /nfs/dbraw/zinc/12/71/12/426127112.db2.gz JFSOWKLATPPSNR-BMGDILEWSA-N 1 0 306.450 2.987 20 10 DFCDRO CN(Cc1ccc(F)cc1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000114721342 426143333 /nfs/dbraw/zinc/14/33/33/426143333.db2.gz LFJVWHWZVOMDQW-UHFFFAOYSA-N 1 0 316.376 2.622 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)cc1 ZINC000134019331 426184421 /nfs/dbraw/zinc/18/44/21/426184421.db2.gz SXPOBPCFQBIDPF-YESZJQIVSA-N 1 0 319.493 2.903 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116567405 426192716 /nfs/dbraw/zinc/19/27/16/426192716.db2.gz MJLUODIRVQNQQG-MRXNPFEDSA-N 1 0 321.465 2.900 20 10 DFCDRO COc1ccc(N2CC[NH+](CCc3ccncc3)CC2)cc1F ZINC000084866974 426246790 /nfs/dbraw/zinc/24/67/90/426246790.db2.gz AYNXJXFUKHUBCY-UHFFFAOYSA-N 1 0 315.392 2.594 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000151382266 426293014 /nfs/dbraw/zinc/29/30/14/426293014.db2.gz KOIJNSPUEYFIEY-DOTOQJQBSA-N 1 0 306.475 2.897 20 10 DFCDRO COc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000151451745 426296389 /nfs/dbraw/zinc/29/63/89/426296389.db2.gz MSUQQTGWNXIDGD-CJNGLKHVSA-N 1 0 309.431 2.545 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)cc1 ZINC000089729446 426304732 /nfs/dbraw/zinc/30/47/32/426304732.db2.gz HFSLBYSKJRPURP-WMLDXEAASA-N 1 0 303.450 2.803 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cnn(C)c2)c1O ZINC000175638038 426318849 /nfs/dbraw/zinc/31/88/49/426318849.db2.gz BDVINNVJYRBNTO-INIZCTEOSA-N 1 0 317.364 2.805 20 10 DFCDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175673611 426320195 /nfs/dbraw/zinc/32/01/95/426320195.db2.gz FPGREDBTPVYRNW-CYBMUJFWSA-N 1 0 309.381 2.982 20 10 DFCDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000090951379 426334285 /nfs/dbraw/zinc/33/42/85/426334285.db2.gz UHHLIUVQBNFAJX-HOCLYGCPSA-N 1 0 324.440 2.864 20 10 DFCDRO CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3C)[C@H](C)C1 ZINC000122923962 426403162 /nfs/dbraw/zinc/40/31/62/426403162.db2.gz IGQASLUIIBYEFO-CRAIPNDOSA-N 1 0 301.478 2.889 20 10 DFCDRO COc1ccc(N2CCC[N@H+](CC3=CCCOC3)CC2)cc1 ZINC000092380820 426349355 /nfs/dbraw/zinc/34/93/55/426349355.db2.gz ITOAIIPGHLDRDP-UHFFFAOYSA-N 1 0 302.418 2.554 20 10 DFCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCOC1 ZINC000093839569 426358062 /nfs/dbraw/zinc/35/80/62/426358062.db2.gz DXXXLHSMWNJSRZ-JTQLQIEISA-N 1 0 300.196 2.623 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)cc1 ZINC000123024567 426410966 /nfs/dbraw/zinc/41/09/66/426410966.db2.gz HLKJAGHBYMIZIX-SFHVURJKSA-N 1 0 315.461 2.585 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1C ZINC000123691575 426449534 /nfs/dbraw/zinc/44/95/34/426449534.db2.gz RHWPOAJFSCDCIS-JSGCOSHPSA-N 1 0 303.324 2.897 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)c1 ZINC000154937158 426459958 /nfs/dbraw/zinc/45/99/58/426459958.db2.gz VHWLRNIQCXBEHF-INIZCTEOSA-N 1 0 319.426 2.576 20 10 DFCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000155363258 426470361 /nfs/dbraw/zinc/47/03/61/426470361.db2.gz RRMZDBFGPOMBBS-KSSFIOAISA-N 1 0 304.434 2.599 20 10 DFCDRO COc1cccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1O ZINC000155392822 426471367 /nfs/dbraw/zinc/47/13/67/426471367.db2.gz AUJZYPSSEJMUJC-MRXNPFEDSA-N 1 0 320.433 2.528 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2O)C12CCOCC2 ZINC000186456106 426530806 /nfs/dbraw/zinc/53/08/06/426530806.db2.gz MRVMWUILJSJDFF-JKSUJKDBSA-N 1 0 305.418 2.764 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1 ZINC000194936362 426495791 /nfs/dbraw/zinc/49/57/91/426495791.db2.gz NAAMUKMJVAIZHP-ZDUSSCGKSA-N 1 0 316.405 2.529 20 10 DFCDRO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(O)c1O ZINC000177660440 426502681 /nfs/dbraw/zinc/50/26/81/426502681.db2.gz ZFTBUDKFAADHKN-LBPRGKRZSA-N 1 0 320.414 2.500 20 10 DFCDRO Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c(O)c1O ZINC000177672479 426503583 /nfs/dbraw/zinc/50/35/83/426503583.db2.gz WVWWKXPNZAHTNP-AWEZNQCLSA-N 1 0 320.433 2.791 20 10 DFCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000235157654 426657393 /nfs/dbraw/zinc/65/73/93/426657393.db2.gz MXQKDLCSFFCHIM-ZDUSSCGKSA-N 1 0 307.438 2.755 20 10 DFCDRO CC[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000178588591 426659980 /nfs/dbraw/zinc/65/99/80/426659980.db2.gz WKCYABUUNYJPDC-MRXNPFEDSA-N 1 0 305.422 2.636 20 10 DFCDRO OC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1C(F)(F)F ZINC000289643739 426671048 /nfs/dbraw/zinc/67/10/48/426671048.db2.gz MLTABMWYXKBUMO-PWSUYJOCSA-N 1 0 307.287 2.524 20 10 DFCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000289750096 426672690 /nfs/dbraw/zinc/67/26/90/426672690.db2.gz QONJLAGABNPQNK-AWEZNQCLSA-N 1 0 317.307 2.628 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@H](c2nncn2C)C(C)C)c1O ZINC000289683051 426673011 /nfs/dbraw/zinc/67/30/11/426673011.db2.gz ZTLBLWMBDNWVKC-ZDUSSCGKSA-N 1 0 324.812 2.670 20 10 DFCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000289866198 426675039 /nfs/dbraw/zinc/67/50/39/426675039.db2.gz GUIMTEPGYFFPFY-IAGOWNOFSA-N 1 0 303.450 2.537 20 10 DFCDRO CN(C)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000289817678 426675316 /nfs/dbraw/zinc/67/53/16/426675316.db2.gz TVDZHVINYRNFQC-XYPWUTKMSA-N 1 0 305.441 2.949 20 10 DFCDRO CCOc1cccc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000289945010 426677839 /nfs/dbraw/zinc/67/78/39/426677839.db2.gz XKTRQJXCNRQEAQ-GDBMZVCRSA-N 1 0 304.434 2.850 20 10 DFCDRO COCc1ccccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000237176798 426690022 /nfs/dbraw/zinc/69/00/22/426690022.db2.gz GMTUWMLANMZMLO-UHFFFAOYSA-N 1 0 301.342 2.557 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000187884119 426703452 /nfs/dbraw/zinc/70/34/52/426703452.db2.gz INDDGNBZNADYOT-SKDZVZGDSA-N 1 0 322.424 2.616 20 10 DFCDRO CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(F)cc2O)no1 ZINC000290157449 426704672 /nfs/dbraw/zinc/70/46/72/426704672.db2.gz LSCOQYIAMACXNT-UWVGGRQHSA-N 1 0 309.341 2.863 20 10 DFCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)OCO2 ZINC000281296498 426709981 /nfs/dbraw/zinc/70/99/81/426709981.db2.gz PKXMAHCRDNPFRG-ZNMIVQPWSA-N 1 0 319.401 2.636 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCS(=O)(=O)C(C)C)cc1 ZINC000290192277 426714259 /nfs/dbraw/zinc/71/42/59/426714259.db2.gz GAAHILZKVJDCGO-AWEZNQCLSA-N 1 0 312.479 2.617 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)cc1F ZINC000281120458 426701954 /nfs/dbraw/zinc/70/19/54/426701954.db2.gz AIQUQVVDYRAVBJ-AWEZNQCLSA-N 1 0 321.440 2.772 20 10 DFCDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)C[C@H](C)O1 ZINC000245943312 426784772 /nfs/dbraw/zinc/78/47/72/426784772.db2.gz KCNJVBMIBYWIEG-JKIFEVAISA-N 1 0 322.424 2.605 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1 ZINC000281670624 426740203 /nfs/dbraw/zinc/74/02/03/426740203.db2.gz DHZNRATZMWKJFC-DOTOQJQBSA-N 1 0 317.360 2.848 20 10 DFCDRO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(OC)c1O ZINC000246124961 426801336 /nfs/dbraw/zinc/80/13/36/426801336.db2.gz ACRUJLXHPZRIHU-QEJZJMRPSA-N 1 0 319.401 2.707 20 10 DFCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179566367 426802453 /nfs/dbraw/zinc/80/24/53/426802453.db2.gz NLZILSDNSNUWEY-HOCLYGCPSA-N 1 0 304.434 2.909 20 10 DFCDRO COc1ccccc1CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179569522 426803174 /nfs/dbraw/zinc/80/31/74/426803174.db2.gz JGRGHLWAYUUIMS-UHFFFAOYSA-N 1 0 312.413 2.719 20 10 DFCDRO O=C(CC1CC[NH+](Cc2ccccc2O)CC1)N1CCCC1 ZINC000179561340 426803533 /nfs/dbraw/zinc/80/35/33/426803533.db2.gz FLHYCAKEUOXZRM-UHFFFAOYSA-N 1 0 302.418 2.617 20 10 DFCDRO C[NH+](C)C[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000179630728 426806768 /nfs/dbraw/zinc/80/67/68/426806768.db2.gz YMGLRVADWVLGBF-LLVKDONJSA-N 1 0 313.239 2.538 20 10 DFCDRO COC(=O)c1cc(C[N@H+](C)Cc2cc(OC)ccc2O)oc1C ZINC000179633957 426808623 /nfs/dbraw/zinc/80/86/23/426808623.db2.gz VLMHKPYTTHSHOR-UHFFFAOYSA-N 1 0 319.357 2.721 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)c1 ZINC000179670943 426811487 /nfs/dbraw/zinc/81/14/87/426811487.db2.gz WWTSMISAFOFKQC-CHWSQXEVSA-N 1 0 303.406 2.893 20 10 DFCDRO Cc1cccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c1O ZINC000179671242 426811730 /nfs/dbraw/zinc/81/17/30/426811730.db2.gz MTJUNORPYHLSRB-UHFFFAOYSA-N 1 0 324.424 2.588 20 10 DFCDRO CC[C@@H]([NH3+])CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000295179310 426851078 /nfs/dbraw/zinc/85/10/78/426851078.db2.gz HGCHIDQTGUOUJZ-CQSZACIVSA-N 1 0 303.381 2.700 20 10 DFCDRO CCn1cnnc1C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000179458471 426790959 /nfs/dbraw/zinc/79/09/59/426790959.db2.gz LWXQUAFRBLYGBO-UHFFFAOYSA-N 1 0 313.449 2.744 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000179470567 426793638 /nfs/dbraw/zinc/79/36/38/426793638.db2.gz TUTYALFOUVIHDN-SFHVURJKSA-N 1 0 313.449 2.961 20 10 DFCDRO CCCOc1ccc(C[N@H+](C)CCCn2ccnc2)c(O)c1 ZINC000290561200 426794028 /nfs/dbraw/zinc/79/40/28/426794028.db2.gz SIYBWVBRCXCFMZ-UHFFFAOYSA-N 1 0 303.406 2.900 20 10 DFCDRO CC[C@H](C[NH2+]Cc1cc(Br)cc(C)c1O)OC ZINC000290939392 426871383 /nfs/dbraw/zinc/87/13/83/426871383.db2.gz PTRORLPQIDPQSX-GFCCVEGCSA-N 1 0 302.212 2.978 20 10 DFCDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000291033038 426872358 /nfs/dbraw/zinc/87/23/58/426872358.db2.gz YRBKGAWKHPHYFH-NXEZZACHSA-N 1 0 302.212 2.976 20 10 DFCDRO CCCC[N@H+](CC(=O)Nc1cc(C)no1)Cc1ccccc1O ZINC000282419972 426906581 /nfs/dbraw/zinc/90/65/81/426906581.db2.gz JILLDWQDYQQMIT-UHFFFAOYSA-N 1 0 317.389 2.929 20 10 DFCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000282441534 426911542 /nfs/dbraw/zinc/91/15/42/426911542.db2.gz ZLBNBHQNFBOBNF-HKUYNNGSSA-N 1 0 318.461 2.818 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1O ZINC000283171808 426968844 /nfs/dbraw/zinc/96/88/44/426968844.db2.gz ZDAUHYBQOVVABF-CYBMUJFWSA-N 1 0 321.808 2.955 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1O ZINC000248034648 426975169 /nfs/dbraw/zinc/97/51/69/426975169.db2.gz RGGIDXCLQGTJDU-KSSFIOAISA-N 1 0 321.392 2.861 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(O)c1 ZINC000282954398 426933501 /nfs/dbraw/zinc/93/35/01/426933501.db2.gz CEQHMNAQVMZYNG-RLFYNMQTSA-N 1 0 319.445 2.919 20 10 DFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1C ZINC000282923203 426934209 /nfs/dbraw/zinc/93/42/09/426934209.db2.gz WALWYLSSMTYRIL-QAPCUYQASA-N 1 0 319.445 2.666 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000182095910 427011370 /nfs/dbraw/zinc/01/13/70/427011370.db2.gz NCVVTQHPIBGOTO-XMSQKQJNSA-N 1 0 316.470 2.962 20 10 DFCDRO COCCC[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295607880 427013208 /nfs/dbraw/zinc/01/32/08/427013208.db2.gz VARPEDQPROGRDG-UHFFFAOYSA-N 1 0 306.450 2.770 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cc(Cl)ccc1O ZINC000283497873 427024558 /nfs/dbraw/zinc/02/45/58/427024558.db2.gz YOFDPDGTPFYKNF-QMTHXVAHSA-N 1 0 308.809 2.898 20 10 DFCDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])cn1 ZINC000296040954 427054826 /nfs/dbraw/zinc/05/48/26/427054826.db2.gz UJHNDVIECNWVFE-NWDGAFQWSA-N 1 0 317.389 2.807 20 10 DFCDRO CC[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccccc1O ZINC000277046558 427131253 /nfs/dbraw/zinc/13/12/53/427131253.db2.gz GPTPRVBHVNUZCH-MRXNPFEDSA-N 1 0 312.417 2.892 20 10 DFCDRO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000269007355 427144829 /nfs/dbraw/zinc/14/48/29/427144829.db2.gz LPQFSQBIMWEBBQ-HOCLYGCPSA-N 1 0 324.440 2.864 20 10 DFCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)Cc1ccccc1O ZINC000249785929 427146976 /nfs/dbraw/zinc/14/69/76/427146976.db2.gz RPQWJVXJLKXJQL-CABCVRRESA-N 1 0 319.449 2.654 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2C)c1O ZINC000277284768 427151061 /nfs/dbraw/zinc/15/10/61/427151061.db2.gz AFVUGQKFBKWRIU-ZWNOBZJWSA-N 1 0 314.223 2.978 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1 ZINC000284502558 427191488 /nfs/dbraw/zinc/19/14/88/427191488.db2.gz CQWBVTRERWOEDK-OTWHNJEPSA-N 1 0 318.461 2.505 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000292871198 427205871 /nfs/dbraw/zinc/20/58/71/427205871.db2.gz WMNXOZJNOXTSEX-AWEZNQCLSA-N 1 0 316.376 2.908 20 10 DFCDRO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(N2CCCCC2)cc1 ZINC000183210797 427224138 /nfs/dbraw/zinc/22/41/38/427224138.db2.gz FVSRKSWUWKOHEQ-CQSZACIVSA-N 1 0 303.450 2.839 20 10 DFCDRO CCOc1ccc(O)c(C[N@H+](C)CCNC(=O)OC(C)(C)C)c1 ZINC000296625336 427227971 /nfs/dbraw/zinc/22/79/71/427227971.db2.gz TZEYRYLHECUBEP-UHFFFAOYSA-N 1 0 324.421 2.747 20 10 DFCDRO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccccc1O ZINC000183474932 427275166 /nfs/dbraw/zinc/27/51/66/427275166.db2.gz YFLOVARWVQBKQD-ZDUSSCGKSA-N 1 0 319.426 2.788 20 10 DFCDRO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccccc1O ZINC000183474950 427275264 /nfs/dbraw/zinc/27/52/64/427275264.db2.gz YFLOVARWVQBKQD-CYBMUJFWSA-N 1 0 319.426 2.788 20 10 DFCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1O ZINC000183610926 427303072 /nfs/dbraw/zinc/30/30/72/427303072.db2.gz NOQNQNNNACOPEO-ZDUSSCGKSA-N 1 0 302.374 2.764 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCc2cnn(C)n2)cc1 ZINC000293626501 427384370 /nfs/dbraw/zinc/38/43/70/427384370.db2.gz GEZGPGIDEVGPKU-AWEZNQCLSA-N 1 0 301.438 2.555 20 10 DFCDRO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271046154 427386325 /nfs/dbraw/zinc/38/63/25/427386325.db2.gz QZBCGLDINIFYAW-QGZVFWFLSA-N 1 0 310.397 2.899 20 10 DFCDRO Cc1cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)ccc1N(C)C ZINC000293632064 427388145 /nfs/dbraw/zinc/38/81/45/427388145.db2.gz RDZZPOMSVWWKIK-KRWDZBQOSA-N 1 0 315.461 2.505 20 10 DFCDRO CCCOc1ccc(C[NH+]2CCC3(CC2)OCCCO3)c(O)c1 ZINC000293652025 427394354 /nfs/dbraw/zinc/39/43/54/427394354.db2.gz NALWEMCGMLLCKB-UHFFFAOYSA-N 1 0 321.417 2.910 20 10 DFCDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000270631831 427364785 /nfs/dbraw/zinc/36/47/85/427364785.db2.gz HTGRZVGBBYNXDV-MLGOLLRUSA-N 1 0 307.390 2.804 20 10 DFCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(C)n1-c1ccccc1 ZINC000262739618 427367416 /nfs/dbraw/zinc/36/74/16/427367416.db2.gz IYHSLHCQLAOTEC-SCLBCKFNSA-N 1 0 311.429 2.822 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)[C@H](O)C(F)(F)F)c1 ZINC000270972503 427368193 /nfs/dbraw/zinc/36/81/93/427368193.db2.gz JRXYRPPAGRVTOS-YPMHNXCESA-N 1 0 307.312 2.582 20 10 DFCDRO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859546 427465695 /nfs/dbraw/zinc/46/56/95/427465695.db2.gz IFLIOMKNDVWNGD-IINYFYTJSA-N 1 0 300.805 2.957 20 10 DFCDRO CCOc1cccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1O ZINC000271252201 427468249 /nfs/dbraw/zinc/46/82/49/427468249.db2.gz XEVQQOPCMSJLNT-INIZCTEOSA-N 1 0 319.376 2.623 20 10 DFCDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000278183153 427423081 /nfs/dbraw/zinc/42/30/81/427423081.db2.gz BRCFBXVHDVPIJK-ISWZSGDOSA-N 1 0 319.445 2.852 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CCSC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000278255174 427426392 /nfs/dbraw/zinc/42/63/92/427426392.db2.gz PQHBNVJSJSCJGY-UHFFFAOYSA-N 1 0 312.391 2.636 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000278306753 427428424 /nfs/dbraw/zinc/42/84/24/427428424.db2.gz DWTTVJYKJFXOEH-OCCSQVGLSA-N 1 0 306.406 2.737 20 10 DFCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278395256 427430072 /nfs/dbraw/zinc/43/00/72/427430072.db2.gz AYGNNQUBRQGFIT-AWEZNQCLSA-N 1 0 302.349 2.970 20 10 DFCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409699 427434343 /nfs/dbraw/zinc/43/43/43/427434343.db2.gz FEKIJWCOSKYNHB-IAGOWNOFSA-N 1 0 319.493 2.904 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](COC)[C@H]2CCCO2)cc1 ZINC000278575974 427445702 /nfs/dbraw/zinc/44/57/02/427445702.db2.gz FEDIOTLYPYLBNW-ZWKOTPCHSA-N 1 0 306.450 2.816 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccccc1O ZINC000192812037 427616176 /nfs/dbraw/zinc/61/61/76/427616176.db2.gz MQONPHNCGQDWRW-HOCLYGCPSA-N 1 0 312.417 2.892 20 10 DFCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cccc(OC)c1O)C(C)C ZINC000185232657 427616652 /nfs/dbraw/zinc/61/66/52/427616652.db2.gz GPXPINIMHDXCDJ-QGZVFWFLSA-N 1 0 309.406 2.858 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1 ZINC000184915376 427564495 /nfs/dbraw/zinc/56/44/95/427564495.db2.gz PRIAIHOGZWBDMS-DOTOQJQBSA-N 1 0 306.450 2.708 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184914279 427565053 /nfs/dbraw/zinc/56/50/53/427565053.db2.gz BOUKXHXHZDSNHY-XHSDSOJGSA-N 1 0 306.450 2.851 20 10 DFCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185130063 427599477 /nfs/dbraw/zinc/59/94/77/427599477.db2.gz RURUMGGFNBJRAJ-UKRRQHHQSA-N 1 0 319.376 2.930 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)c1 ZINC000185121616 427599959 /nfs/dbraw/zinc/59/99/59/427599959.db2.gz OFRFTZDJLFNSLA-NSHDSACASA-N 1 0 305.349 2.883 20 10 DFCDRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1cc2c(cc1O)CCCC2 ZINC000185332840 427635895 /nfs/dbraw/zinc/63/58/95/427635895.db2.gz MNTSJLOLWISJOC-CYBMUJFWSA-N 1 0 318.417 2.764 20 10 DFCDRO C[C@H]([NH2+]CCCN1CCOC1=O)c1cc2c(cc1O)CCCC2 ZINC000185332821 427637647 /nfs/dbraw/zinc/63/76/47/427637647.db2.gz MNTSJLOLWISJOC-ZDUSSCGKSA-N 1 0 318.417 2.764 20 10 DFCDRO Cc1cccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000294720109 427648283 /nfs/dbraw/zinc/64/82/83/427648283.db2.gz FJZQJJZOGPKTMH-UHFFFAOYSA-N 1 0 310.397 2.964 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c1 ZINC000185444018 427655892 /nfs/dbraw/zinc/65/58/92/427655892.db2.gz LTLGMEOPKBHXDX-AWEZNQCLSA-N 1 0 304.434 3.000 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294825161 427661733 /nfs/dbraw/zinc/66/17/33/427661733.db2.gz PIDSVZXRJOQTTN-CYBMUJFWSA-N 1 0 320.433 2.514 20 10 DFCDRO COC1CCN(c2ccc(C[NH+]3[C@H](C)COC[C@H]3C)cc2)CC1 ZINC000294928856 427667641 /nfs/dbraw/zinc/66/76/41/427667641.db2.gz IWVUGRLTKGVKNX-HZPDHXFCSA-N 1 0 318.461 2.911 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]CCCCCO)c1O ZINC000193161425 427673698 /nfs/dbraw/zinc/67/36/98/427673698.db2.gz SLFHHFFRASUPKS-UHFFFAOYSA-N 1 0 302.212 2.715 20 10 DFCDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185802241 427709686 /nfs/dbraw/zinc/70/96/86/427709686.db2.gz QDDWMHHEMIYVQC-GXSJLCMTSA-N 1 0 302.212 2.966 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000279615284 427713258 /nfs/dbraw/zinc/71/32/58/427713258.db2.gz GCPPEIVLPKDBEG-RDTXWAMCSA-N 1 0 321.417 2.561 20 10 DFCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185867144 427720127 /nfs/dbraw/zinc/72/01/27/427720127.db2.gz AOSXXKWPWHYUQC-SNVBAGLBSA-N 1 0 307.369 2.687 20 10 DFCDRO CC[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(C)cc1O ZINC000280007370 427726174 /nfs/dbraw/zinc/72/61/74/427726174.db2.gz GLPQWZOSDXIADW-KRWDZBQOSA-N 1 0 306.450 2.588 20 10 DFCDRO CC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(C)cc1O ZINC000279942905 427726469 /nfs/dbraw/zinc/72/64/69/427726469.db2.gz BHUYDXAIQRQTDN-AWEZNQCLSA-N 1 0 300.406 2.869 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050751 427743596 /nfs/dbraw/zinc/74/35/96/427743596.db2.gz SRWQBQXFUVCIQT-GJZGRUSLSA-N 1 0 312.417 2.810 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1O ZINC000186051554 427744209 /nfs/dbraw/zinc/74/42/09/427744209.db2.gz ZFLCEOAYXHCKMJ-TZMCWYRMSA-N 1 0 316.380 2.641 20 10 DFCDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000186089648 427746117 /nfs/dbraw/zinc/74/61/17/427746117.db2.gz LSTNBJLDPLPPPZ-JTQLQIEISA-N 1 0 317.838 2.521 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)c1O ZINC000369540899 427995124 /nfs/dbraw/zinc/99/51/24/427995124.db2.gz LKYJAIFMWNKQBS-CRAIPNDOSA-N 1 0 321.417 2.561 20 10 DFCDRO CN(C)c1ccc(C2=CC[N@H+](CCO[C@H]3CCCCO3)C2)cc1 ZINC000369728740 428045610 /nfs/dbraw/zinc/04/56/10/428045610.db2.gz CUGDGLLADVQQQN-IBGZPJMESA-N 1 0 316.445 2.995 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000369967155 428099708 /nfs/dbraw/zinc/09/97/08/428099708.db2.gz LEWWXXFDXZIAPI-FUHWJXTLSA-N 1 0 315.461 2.585 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c1O ZINC000370367561 428193016 /nfs/dbraw/zinc/19/30/16/428193016.db2.gz PTBBHCPHWLDUAA-MRXNPFEDSA-N 1 0 302.418 2.678 20 10 DFCDRO COc1cccc(OC)c1C[NH2+]Cc1ccc2c(c1)CCN2C ZINC000370579536 428246749 /nfs/dbraw/zinc/24/67/49/428246749.db2.gz KUNFTKQDIJHEMZ-UHFFFAOYSA-N 1 0 312.413 2.986 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC12CCOCC2 ZINC000371391232 428389766 /nfs/dbraw/zinc/38/97/66/428389766.db2.gz BLBOQJILWWREDV-UHFFFAOYSA-N 1 0 316.445 2.668 20 10 DFCDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000372082276 428414240 /nfs/dbraw/zinc/41/42/40/428414240.db2.gz ZFXWAEWYSARCGG-IAGOWNOFSA-N 1 0 302.418 2.676 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)cc1OC ZINC000371862539 428406743 /nfs/dbraw/zinc/40/67/43/428406743.db2.gz CUDYWWCYPWQHDB-CYBMUJFWSA-N 1 0 321.417 2.800 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(c3cn[nH]c3)CC2)c1O ZINC000372434101 428445721 /nfs/dbraw/zinc/44/57/21/428445721.db2.gz VYQOCPFCVUQUIO-UHFFFAOYSA-N 1 0 301.390 2.894 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000372500515 428455370 /nfs/dbraw/zinc/45/53/70/428455370.db2.gz CFRAAXOQMJLJNF-ZBFHGGJFSA-N 1 0 302.418 2.834 20 10 DFCDRO COc1ccc(O)c([C@@H](C)N2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000372595916 428472152 /nfs/dbraw/zinc/47/21/52/428472152.db2.gz BWNTUYHHDAGPMX-KGLIPLIRSA-N 1 0 322.474 2.585 20 10 DFCDRO CCCC(=O)N1CCC[N@@H+]([C@H](C)c2cc(OC)ccc2O)CC1 ZINC000372601347 428474930 /nfs/dbraw/zinc/47/49/30/428474930.db2.gz RXMZYVXKYCPFKR-CQSZACIVSA-N 1 0 320.433 2.796 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@@]2(CCOC2)O1 ZINC000373492689 428591966 /nfs/dbraw/zinc/59/19/66/428591966.db2.gz FOPGJLJWRPFJNZ-SJLPKXTDSA-N 1 0 305.418 2.779 20 10 DFCDRO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)n1 ZINC000374254984 428670596 /nfs/dbraw/zinc/67/05/96/428670596.db2.gz HVNFCMNBXOMZJU-SFHVURJKSA-N 1 0 313.449 2.626 20 10 DFCDRO COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2Cc2cc(F)ccc2O)c1 ZINC000374371027 428677750 /nfs/dbraw/zinc/67/77/50/428677750.db2.gz HWLGBHJMACDTGT-NVXWUHKLSA-N 1 0 317.360 2.848 20 10 DFCDRO O=C([C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2)N1CCCC1 ZINC000374810350 428756317 /nfs/dbraw/zinc/75/63/17/428756317.db2.gz VURWJSBWDYWCQP-INIZCTEOSA-N 1 0 314.429 2.617 20 10 DFCDRO Oc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000374891934 428776584 /nfs/dbraw/zinc/77/65/84/428776584.db2.gz HDHGPBVRFXVORN-BBRMVZONSA-N 1 0 305.324 2.978 20 10 DFCDRO Oc1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000374891937 428776760 /nfs/dbraw/zinc/77/67/60/428776760.db2.gz HDHGPBVRFXVORN-CZUORRHYSA-N 1 0 305.324 2.978 20 10 DFCDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2c(O)ccc3ccccc32)CC1=O ZINC000363415900 428911755 /nfs/dbraw/zinc/91/17/55/428911755.db2.gz YUXQAOXKLXTYFY-MRRJBJDNSA-N 1 0 310.397 2.644 20 10 DFCDRO CCCC(=O)N1CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000363438836 428914283 /nfs/dbraw/zinc/91/42/83/428914283.db2.gz VBWILBUHUBNPOA-UHFFFAOYSA-N 1 0 304.434 2.843 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(-n3cccn3)c2)c1 ZINC000363859165 428999855 /nfs/dbraw/zinc/99/98/55/428999855.db2.gz FAGMMZRQTOXNPG-ZDUSSCGKSA-N 1 0 324.384 2.832 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(-n3cccn3)c2)c1 ZINC000363859163 429000236 /nfs/dbraw/zinc/00/02/36/429000236.db2.gz FAGMMZRQTOXNPG-CYBMUJFWSA-N 1 0 324.384 2.832 20 10 DFCDRO COCc1ccccc1NC(=[NH2+])NCc1ccc2c(c1)CCN2C ZINC000364419695 429201198 /nfs/dbraw/zinc/20/11/98/429201198.db2.gz UMGNOXSNMUNDOF-UHFFFAOYSA-N 1 0 324.428 2.962 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000364450668 429205254 /nfs/dbraw/zinc/20/52/54/429205254.db2.gz WMDNMZXHDBMFSA-IBGZPJMESA-N 1 0 308.381 2.796 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c(C)n1-c1ccccc1 ZINC000365326078 429300505 /nfs/dbraw/zinc/30/05/05/429300505.db2.gz LMMLDPOGIVFUBK-VQIMIIECSA-N 1 0 323.440 2.918 20 10 DFCDRO CCN(CC)c1ccc(CN2CCO[C@H]3CCOC[C@@H]32)cc1F ZINC000366491953 429464564 /nfs/dbraw/zinc/46/45/64/429464564.db2.gz STIBOKXTPZUCAR-ROUUACIJSA-N 1 0 322.424 2.662 20 10 DFCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(C)(C)O1 ZINC000151073425 275868612 /nfs/dbraw/zinc/86/86/12/275868612.db2.gz HKLCHVZWWHURFQ-KRWDZBQOSA-N 1 0 318.461 2.959 20 10 DFCDRO COC(=O)[C@H]1C[N@@H+]([C@H](C)c2cc(OC)ccc2O)CC1(C)C ZINC000367315963 429620014 /nfs/dbraw/zinc/62/00/14/429620014.db2.gz BMRUKHLRXMMLEO-BXUZGUMPSA-N 1 0 307.390 2.593 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)c1O ZINC000367347813 429626512 /nfs/dbraw/zinc/62/65/12/429626512.db2.gz BHRQATMVZYANRS-ZIAGYGMSSA-N 1 0 308.809 2.597 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c(O)c1C ZINC000367439162 429647694 /nfs/dbraw/zinc/64/76/94/429647694.db2.gz RXDCPNRGPWCYII-XGWLTEMNSA-N 1 0 302.418 2.717 20 10 DFCDRO COc1cccc(-n2cc(C[NH2+][C@H](C)c3ccccc3O)nn2)c1 ZINC000367798641 429718504 /nfs/dbraw/zinc/71/85/04/429718504.db2.gz ALZDLXKLTRLIHC-CYBMUJFWSA-N 1 0 324.384 2.832 20 10 DFCDRO COCCn1cc2c(n1)[C@H]([NH2+][C@@H](C)c1ccccc1O)CCC2 ZINC000368187399 429804981 /nfs/dbraw/zinc/80/49/81/429804981.db2.gz FWLXYNHLSFHXTM-XJKSGUPXSA-N 1 0 315.417 2.963 20 10 DFCDRO COc1cccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1O ZINC000527735620 429789491 /nfs/dbraw/zinc/78/94/91/429789491.db2.gz PEYJFPOKQJSLLN-GOSISDBHSA-N 1 0 315.369 2.721 20 10 DFCDRO COc1cccc([C@H](C[NH2+]Cc2cccc(OC)c2O)OC)c1 ZINC000527737395 429789571 /nfs/dbraw/zinc/78/95/71/429789571.db2.gz NHWJMRWPOLZXSO-KRWDZBQOSA-N 1 0 317.385 2.887 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc3cn(C)nc3c2)c1 ZINC000527762105 429793405 /nfs/dbraw/zinc/79/34/05/429793405.db2.gz JWKDMFZVCBZOCC-UHFFFAOYSA-N 1 0 311.385 2.967 20 10 DFCDRO CCOc1ccc(C[NH2+]Cc2ccc3cn(C)nc3c2)c(O)c1 ZINC000527765005 429794332 /nfs/dbraw/zinc/79/43/32/429794332.db2.gz WWAQVEOQOQXROJ-UHFFFAOYSA-N 1 0 311.385 2.967 20 10 DFCDRO Cc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c(C)n1-c1ccccc1 ZINC000368377661 429838759 /nfs/dbraw/zinc/83/87/59/429838759.db2.gz NHXNVKAMQUMGBS-GOSISDBHSA-N 1 0 323.440 2.966 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)C[C@H](O)C(C)C)CC2)cc1 ZINC000368399158 429842591 /nfs/dbraw/zinc/84/25/91/429842591.db2.gz WYSJITXGLQCKFE-SFHVURJKSA-N 1 0 306.450 2.613 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000368567581 429867879 /nfs/dbraw/zinc/86/78/79/429867879.db2.gz NFOLWQPZTANXDA-OAGGEKHMSA-N 1 0 303.402 2.913 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000368568450 429867956 /nfs/dbraw/zinc/86/79/56/429867956.db2.gz QQOWNSDTCZUFGV-KGLIPLIRSA-N 1 0 321.417 2.732 20 10 DFCDRO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2O)o1 ZINC000368678872 429886993 /nfs/dbraw/zinc/88/69/93/429886993.db2.gz VNBIDGRATUCENC-MRXNPFEDSA-N 1 0 314.385 2.958 20 10 DFCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1C ZINC000369082050 429911870 /nfs/dbraw/zinc/91/18/70/429911870.db2.gz DDXVTVAWGNKPLQ-QAPCUYQASA-N 1 0 305.418 2.779 20 10 DFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000369213436 429920101 /nfs/dbraw/zinc/92/01/01/429920101.db2.gz HQWXCIDAKRLFRD-GXFFZTMASA-N 1 0 312.207 2.766 20 10 DFCDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(O)c1O ZINC000529720240 430062805 /nfs/dbraw/zinc/06/28/05/430062805.db2.gz SBRKVESWJYDCGS-AWEZNQCLSA-N 1 0 318.417 2.543 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000563394047 430188238 /nfs/dbraw/zinc/18/82/38/430188238.db2.gz ZVUOSPHPOZZTEM-UHFFFAOYSA-N 1 0 313.445 2.835 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1O ZINC000079414863 277106020 /nfs/dbraw/zinc/10/60/20/277106020.db2.gz NCVIFABVYBUQLE-MRXNPFEDSA-N 1 0 320.408 2.794 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000152883019 277909043 /nfs/dbraw/zinc/90/90/43/277909043.db2.gz FQCZBFDCGKZNRK-KSSFIOAISA-N 1 0 304.434 2.821 20 10 DFCDRO COc1ccc2c(c1)N(C(=O)c1cccc3c1CC[NH2+]C3)CCC2 ZINC000662913643 431234868 /nfs/dbraw/zinc/23/48/68/431234868.db2.gz RSXXJGRTVMDMKA-UHFFFAOYSA-N 1 0 322.408 2.934 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1O ZINC000179784045 281216921 /nfs/dbraw/zinc/21/69/21/281216921.db2.gz NXBIFURDRPYSSV-KRWDZBQOSA-N 1 0 310.397 2.764 20 10 DFCDRO COc1cccc(C[NH2+]CCCn2cnc3ccccc32)c1O ZINC000074335671 331671047 /nfs/dbraw/zinc/67/10/47/331671047.db2.gz SSORZYPOKQQNFC-UHFFFAOYSA-N 1 0 311.385 2.930 20 10 DFCDRO CN1C[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1=O ZINC000293758196 335113049 /nfs/dbraw/zinc/11/30/49/335113049.db2.gz OSGZLBXIRZQGEY-WMZOPIPTSA-N 1 0 324.424 2.886 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1O ZINC000176984827 332966802 /nfs/dbraw/zinc/96/68/02/332966802.db2.gz AOWLCTLZIMSMGX-GXTWGEPZSA-N 1 0 316.380 2.641 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cc1OC ZINC000294155114 335118773 /nfs/dbraw/zinc/11/87/73/335118773.db2.gz VQGMBQDBBBLRHC-GOSISDBHSA-N 1 0 323.433 2.640 20 10 DFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000294766846 335127276 /nfs/dbraw/zinc/12/72/76/335127276.db2.gz YVYZOHSQQQXIAV-GDBMZVCRSA-N 1 0 304.434 2.692 20 10 DFCDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185688059 333211920 /nfs/dbraw/zinc/21/19/20/333211920.db2.gz OODFTXXZOBRGIV-UWVGGRQHSA-N 1 0 302.212 2.966 20 10 DFCDRO COC[C@@H]1CCCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000364124380 333241873 /nfs/dbraw/zinc/24/18/73/333241873.db2.gz GGQQTUQTCOYMIQ-CYBMUJFWSA-N 1 0 309.381 2.982 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000295202703 335131078 /nfs/dbraw/zinc/13/10/78/335131078.db2.gz YWGSBUVKSIACJH-ZDUSSCGKSA-N 1 0 309.768 2.878 20 10 DFCDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc(Br)ccc1O ZINC000230689634 333457171 /nfs/dbraw/zinc/45/71/71/333457171.db2.gz IMKXDHKWLUAIDO-GFCCVEGCSA-N 1 0 302.212 2.651 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](C)CCCCCO)cc2)CC1 ZINC000296116651 335141668 /nfs/dbraw/zinc/14/16/68/335141668.db2.gz VRCKJRKUXKELOU-UHFFFAOYSA-N 1 0 320.477 2.896 20 10 DFCDRO O=C1[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1c1ccccc1 ZINC000296275200 335143065 /nfs/dbraw/zinc/14/30/65/335143065.db2.gz CAIGPRJUZUPDGO-HOTGVXAUSA-N 1 0 308.381 2.775 20 10 DFCDRO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1Cc1ccccc1 ZINC000296964156 335150438 /nfs/dbraw/zinc/15/04/38/335150438.db2.gz RHQCJLJGXMDYMT-SJORKVTESA-N 1 0 322.408 2.770 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c(O)c1 ZINC000297267935 335152383 /nfs/dbraw/zinc/15/23/83/335152383.db2.gz KMXBYRDCFIZTFG-HOTGVXAUSA-N 1 0 306.450 2.506 20 10 DFCDRO Oc1ccccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000271368699 334021717 /nfs/dbraw/zinc/02/17/17/334021717.db2.gz OWJKWPMGQMGULG-XJKSGUPXSA-N 1 0 305.324 2.978 20 10 DFCDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000271419510 334023115 /nfs/dbraw/zinc/02/31/15/334023115.db2.gz BSSLJBUDGAZBLP-LSDHHAIUSA-N 1 0 324.440 2.722 20 10 DFCDRO CCN(CCC[NH+](CC)CC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000276439266 334078130 /nfs/dbraw/zinc/07/81/30/334078130.db2.gz LCDPFTOXYGOSPV-PKNBQFBNSA-N 1 0 320.433 2.691 20 10 DFCDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(F)ccc(O)c1O ZINC000276631196 334084188 /nfs/dbraw/zinc/08/41/88/334084188.db2.gz WCRKWLPVTUVPSD-GFCCVEGCSA-N 1 0 324.396 2.621 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(C)cc1O ZINC000280193664 334114957 /nfs/dbraw/zinc/11/49/57/334114957.db2.gz SJUNNHAUBMDKNQ-DOTOQJQBSA-N 1 0 306.450 2.588 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1O)C(=O)NCCF ZINC000282405841 334134565 /nfs/dbraw/zinc/13/45/65/334134565.db2.gz CACQGCZAKHJXLC-NWDGAFQWSA-N 1 0 304.365 2.670 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c(O)c1 ZINC000192810125 336263892 /nfs/dbraw/zinc/26/38/92/336263892.db2.gz VYFJJEGKLJMLOK-CABCVRRESA-N 1 0 312.417 2.810 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C)n3C2)cc1 ZINC000369453141 336864780 /nfs/dbraw/zinc/86/47/80/336864780.db2.gz SNDUAXMWHPKSJM-CZUORRHYSA-N 1 0 313.449 2.708 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1OC ZINC000373370823 336958387 /nfs/dbraw/zinc/95/83/87/336958387.db2.gz SCLGBYXQFGJNKJ-ZWKOTPCHSA-N 1 0 321.417 2.704 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+][C@H](CC)c1ccc(C)cc1O)CC2 ZINC000373848186 336974484 /nfs/dbraw/zinc/97/44/84/336974484.db2.gz BELKQKDXMVUIKI-DZGCQCFKSA-N 1 0 314.433 2.910 20 10 DFCDRO COc1cccc(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c1O ZINC000374725634 336995871 /nfs/dbraw/zinc/99/58/71/336995871.db2.gz IFDCMEQMHRDBSH-UHFFFAOYSA-N 1 0 317.389 2.646 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1 ZINC000375267328 337006945 /nfs/dbraw/zinc/00/69/45/337006945.db2.gz PIKVVNKACFSCGS-UHFFFAOYSA-N 1 0 301.390 2.812 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1C ZINC000375420323 337010939 /nfs/dbraw/zinc/01/09/39/337010939.db2.gz SRPUBCJISWWCID-ZHALLVOQSA-N 1 0 319.445 2.761 20 10 DFCDRO CN(C)c1ccc(C2=CC[N@H+](C[C@@H](O)CC(F)(F)F)C2)cc1 ZINC000375493634 337012099 /nfs/dbraw/zinc/01/20/99/337012099.db2.gz IWHIBRPIFAVGPZ-HNNXBMFYSA-N 1 0 314.351 2.765 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000305147104 337015771 /nfs/dbraw/zinc/01/57/71/337015771.db2.gz SAIPDKTUTCRVTP-ZWKOTPCHSA-N 1 0 304.434 2.557 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(C)cc1O ZINC000375661089 337015947 /nfs/dbraw/zinc/01/59/47/337015947.db2.gz BDEDXLIRUZWDOK-NUJGCVRESA-N 1 0 318.461 2.995 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000375671323 337016131 /nfs/dbraw/zinc/01/61/31/337016131.db2.gz HJEDSEZPACEPJA-HNNXBMFYSA-N 1 0 321.808 2.714 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@]3(CO)CCc4ccccc43)ccc21 ZINC000305197579 337018253 /nfs/dbraw/zinc/01/82/53/337018253.db2.gz JIILYNHSIFPBJY-FQEVSTJZSA-N 1 0 308.425 2.603 20 10 DFCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1O ZINC000376003570 337024985 /nfs/dbraw/zinc/02/49/85/337024985.db2.gz MZITZDRQURNNLX-ZNMIVQPWSA-N 1 0 302.418 2.834 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1O ZINC000376147098 337028353 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CC[C@H](c1ccccc1O)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000377684885 337058284 /nfs/dbraw/zinc/05/82/84/337058284.db2.gz YPFCSYKDVVQCEZ-QAPCUYQASA-N 1 0 302.418 2.788 20 10 DFCDRO CCN(CC)c1ccc(CN2CCOC[C@H]2[C@@H]2CCCO2)cc1 ZINC000377693745 337058884 /nfs/dbraw/zinc/05/88/84/337058884.db2.gz HSDACLFUUUSKDD-OALUTQOASA-N 1 0 318.461 2.913 20 10 DFCDRO CCOc1cccc(C[N@H+](C)C[C@H]2CCn3ccnc3C2)c1O ZINC000377857733 337062745 /nfs/dbraw/zinc/06/27/45/337062745.db2.gz UIEUPMQXODDEDP-AWEZNQCLSA-N 1 0 315.417 2.682 20 10 DFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000377888907 337063552 /nfs/dbraw/zinc/06/35/52/337063552.db2.gz MNBWLCUCKSEOAI-UHFFFAOYSA-N 1 0 304.768 2.818 20 10 DFCDRO Cc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC000179097300 337167168 /nfs/dbraw/zinc/16/71/68/337167168.db2.gz ZRLWIQKONXCPBR-KRWDZBQOSA-N 1 0 311.429 2.836 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(O)c1 ZINC000179468971 337169544 /nfs/dbraw/zinc/16/95/44/337169544.db2.gz VRENELJFBABITI-OAHLLOKOSA-N 1 0 316.405 2.610 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccccc1O ZINC000183552800 337192182 /nfs/dbraw/zinc/19/21/82/337192182.db2.gz CXHNAELIQSOMCL-OLZOCXBDSA-N 1 0 301.365 2.856 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1O ZINC000184728628 337200149 /nfs/dbraw/zinc/20/01/49/337200149.db2.gz CMMLFKDOBSHMJV-CQSZACIVSA-N 1 0 315.417 2.589 20 10 DFCDRO COc1ccc(N2CCC[N@H+](C[C@@](C)(O)C(C)C)CC2)cc1 ZINC000184967292 337202134 /nfs/dbraw/zinc/20/21/34/337202134.db2.gz SPKLNVCSOXYDFK-GOSISDBHSA-N 1 0 306.450 2.614 20 10 DFCDRO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)CC2 ZINC000185995084 337252475 /nfs/dbraw/zinc/25/24/75/337252475.db2.gz VJUQVYCJZIXISJ-QWHCGFSZSA-N 1 0 300.406 2.520 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000230313518 337271287 /nfs/dbraw/zinc/27/12/87/337271287.db2.gz FTLXLNSFQBBJQW-GXTWGEPZSA-N 1 0 312.207 2.812 20 10 DFCDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1c1ccc(F)cc1 ZINC000120005119 337395348 /nfs/dbraw/zinc/39/53/48/337395348.db2.gz UISWYQSYUHMQHF-QAPCUYQASA-N 1 0 314.360 2.593 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2c2cccnn2)c(O)c1 ZINC000359957266 337440898 /nfs/dbraw/zinc/44/08/98/337440898.db2.gz HCNZESRIFGEKQH-CABCVRRESA-N 1 0 312.417 2.810 20 10 DFCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Cl)C(=O)N1CCCC1 ZINC000527813291 337765751 /nfs/dbraw/zinc/76/57/51/337765751.db2.gz UPCDZJRAUGMSMO-UHFFFAOYSA-N 1 0 310.825 2.784 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000194285204 338061053 /nfs/dbraw/zinc/06/10/53/338061053.db2.gz BVADKUXPXVDNGU-KRWDZBQOSA-N 1 0 315.461 2.635 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000458744827 339004568 /nfs/dbraw/zinc/00/45/68/339004568.db2.gz OXOILUUNBRCPEQ-UHFFFAOYSA-N 1 0 316.449 2.626 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000471754789 339353135 /nfs/dbraw/zinc/35/31/35/339353135.db2.gz CDQJRFHNRFADDC-ZDUSSCGKSA-N 1 0 316.449 2.626 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000273419099 341635679 /nfs/dbraw/zinc/63/56/79/341635679.db2.gz RTYQTGIYXPZVFR-XHDPSFHLSA-N 1 0 301.390 2.863 20 10 DFCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296225079 341716547 /nfs/dbraw/zinc/71/65/47/341716547.db2.gz AEHOLBBFKSTEGZ-YPMHNXCESA-N 1 0 306.406 2.882 20 10 DFCDRO CCOC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000265058550 520091053 /nfs/dbraw/zinc/09/10/53/520091053.db2.gz YHCNCPOASDLSGK-SFHVURJKSA-N 1 0 306.450 2.506 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC)c(O)c1 ZINC000179894269 520348118 /nfs/dbraw/zinc/34/81/18/520348118.db2.gz ZEXWTCLMWHJWBH-AWEZNQCLSA-N 1 0 307.390 2.709 20 10 DFCDRO CCOC(=O)CC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000159086717 520614631 /nfs/dbraw/zinc/61/46/31/520614631.db2.gz LRJNSTWDTIKQIP-UHFFFAOYSA-N 1 0 307.390 2.566 20 10 DFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179936011 520659802 /nfs/dbraw/zinc/65/98/02/520659802.db2.gz LSIYGDOPBZRNHR-CQSZACIVSA-N 1 0 320.433 2.529 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1F ZINC000236910089 520895476 /nfs/dbraw/zinc/89/54/76/520895476.db2.gz YWCOGNVYURSFLB-UHFFFAOYSA-N 1 0 321.440 2.678 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)CCOC)cc1F ZINC000172672308 520908147 /nfs/dbraw/zinc/90/81/47/520908147.db2.gz AKXQXGLZCJBNBT-QGZVFWFLSA-N 1 0 312.429 2.549 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000265270515 521154830 /nfs/dbraw/zinc/15/48/30/521154830.db2.gz UFFGDMCJKZZECM-INIZCTEOSA-N 1 0 305.349 2.753 20 10 DFCDRO CCOc1cccc(C[NH2+][C@H](CO)c2ccc(F)cc2)c1O ZINC000265218318 521376079 /nfs/dbraw/zinc/37/60/79/521376079.db2.gz GAPNESNZPOWLDT-OAHLLOKOSA-N 1 0 305.349 2.753 20 10 DFCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000157057429 521691032 /nfs/dbraw/zinc/69/10/32/521691032.db2.gz DLHATHBKODIFAC-KRWDZBQOSA-N 1 0 316.376 2.970 20 10 DFCDRO CN(C)c1ccc(C[N@H+](CC[C@H]2CCOC2=O)C2CC2)cc1 ZINC000267971765 522174188 /nfs/dbraw/zinc/17/41/88/522174188.db2.gz ZVWYBAPNPYKXSD-HNNXBMFYSA-N 1 0 302.418 2.670 20 10 DFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@H]1C ZINC000188101508 523715478 /nfs/dbraw/zinc/71/54/78/523715478.db2.gz DAKRWXYYWJLGJM-BXUZGUMPSA-N 1 0 311.809 2.985 20 10 DFCDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000191636222 523899442 /nfs/dbraw/zinc/89/94/42/523899442.db2.gz WPTUJFNZHBNBFX-BFHYXJOUSA-N 1 0 310.413 2.736 20 10 DFCDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC000237822354 524151429 /nfs/dbraw/zinc/15/14/29/524151429.db2.gz KQKPWZIHTZHEMR-INIZCTEOSA-N 1 0 311.429 2.884 20 10 DFCDRO COc1ccc(F)cc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000189199654 524313866 /nfs/dbraw/zinc/31/38/66/524313866.db2.gz SQFRWZRCIURHQA-UHFFFAOYSA-N 1 0 305.305 2.558 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1O ZINC000180030850 524393955 /nfs/dbraw/zinc/39/39/55/524393955.db2.gz XXPHFOQEFJXDMV-UHFFFAOYSA-N 1 0 317.458 2.865 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1 ZINC000182660456 524749671 /nfs/dbraw/zinc/74/96/71/524749671.db2.gz LTHJRPLURXSCME-UHFFFAOYSA-N 1 0 320.433 2.575 20 10 DFCDRO COc1ccc(O)c(C[NH2+]CC[C@@](C)(O)c2ccccc2)c1 ZINC000190274727 524750880 /nfs/dbraw/zinc/75/08/80/524750880.db2.gz BNGCSDXSSMHWEL-GOSISDBHSA-N 1 0 301.386 2.788 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000182447928 524770920 /nfs/dbraw/zinc/77/09/20/524770920.db2.gz GYZUWOBAJZGPDY-SCLBCKFNSA-N 1 0 301.386 2.959 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)c1O ZINC000181200795 524872062 /nfs/dbraw/zinc/87/20/62/524872062.db2.gz VFQXFKSSCFBFAF-NSHDSACASA-N 1 0 322.792 2.742 20 10 DFCDRO C[C@H]([NH2+]Cc1ccnn1C)c1cc(Br)ccc1O ZINC000181011308 525471315 /nfs/dbraw/zinc/47/13/15/525471315.db2.gz LYGWHYVCQKEBDE-VIFPVBQESA-N 1 0 310.195 2.739 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000268897262 525473981 /nfs/dbraw/zinc/47/39/81/525473981.db2.gz PHAYEOFRUVCDIF-RHSMWYFYSA-N 1 0 306.450 2.581 20 10 DFCDRO COc1cccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1O ZINC000181923679 525947196 /nfs/dbraw/zinc/94/71/96/525947196.db2.gz LPVZRJQLNBNGBV-QGZVFWFLSA-N 1 0 313.397 2.844 20 10 DFCDRO COc1cccc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000365144387 526039110 /nfs/dbraw/zinc/03/91/10/526039110.db2.gz ZAFFYXGIEPJTHI-HNNXBMFYSA-N 1 0 315.417 2.825 20 10 DFCDRO Cc1cc(Br)cc(C[NH+]2CCC(C)(O)CC2)c1O ZINC000180285609 526157724 /nfs/dbraw/zinc/15/77/24/526157724.db2.gz VLVOTCAWFUOMIL-UHFFFAOYSA-N 1 0 314.223 2.810 20 10 DFCDRO Oc1ccc(F)cc1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188750054 526349333 /nfs/dbraw/zinc/34/93/33/526349333.db2.gz KUSKRHYBCITCAX-UHFFFAOYSA-N 1 0 320.330 2.895 20 10 DFCDRO Oc1ccccc1C[N@H+](CC[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000189661802 526372875 /nfs/dbraw/zinc/37/28/75/526372875.db2.gz YXUNJEKTUQWQII-SJORKVTESA-N 1 0 305.418 2.942 20 10 DFCDRO Cc1nc(CN2CC[NH+](Cc3cccc(C)c3O)CC2)oc1C ZINC000180043376 526865962 /nfs/dbraw/zinc/86/59/62/526865962.db2.gz QWPRJFTTXQJRMP-UHFFFAOYSA-N 1 0 315.417 2.623 20 10 DFCDRO Nc1ccc(CC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000237914158 527478131 /nfs/dbraw/zinc/47/81/31/527478131.db2.gz UIVQFTWKNRCGGA-LJQANCHMSA-N 1 0 323.440 2.765 20 10 DFCDRO O=C(NCCCCC[NH+]1CCCCC1)NCc1ccccc1O ZINC000264801921 527642658 /nfs/dbraw/zinc/64/26/58/527642658.db2.gz UGCMAFOOXKSXIB-UHFFFAOYSA-N 1 0 319.449 2.848 20 10 DFCDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273414692 534945618 /nfs/dbraw/zinc/94/56/18/534945618.db2.gz QMDXCSXNXQPYFY-KBPBESRZSA-N 1 0 320.433 2.561 20 10 DFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2O)C[C@H]1C ZINC000289450156 535563905 /nfs/dbraw/zinc/56/39/05/535563905.db2.gz NCPDANJGYYEPCM-VHDGCEQUSA-N 1 0 321.417 2.858 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1 ZINC000279809919 535686867 /nfs/dbraw/zinc/68/68/67/535686867.db2.gz OKEWVWHMQXQQMR-SFHVURJKSA-N 1 0 317.477 2.881 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000274380986 535752265 /nfs/dbraw/zinc/75/22/65/535752265.db2.gz JBHDLXXWQOTLDK-GFCCVEGCSA-N 1 0 324.421 2.794 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000284222454 535765049 /nfs/dbraw/zinc/76/50/49/535765049.db2.gz CWDITKUWEVEAJF-YXJHDRRASA-N 1 0 322.493 2.951 20 10 DFCDRO CC[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccccc1O ZINC000274921013 535944542 /nfs/dbraw/zinc/94/45/42/535944542.db2.gz PBKFNYUHIKNPGJ-IEZWGBDMSA-N 1 0 315.413 2.918 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1O ZINC000824613608 608457739 /nfs/dbraw/zinc/45/77/39/608457739.db2.gz VQBHZCMHOUZGNO-JTQLQIEISA-N 1 0 313.336 2.562 20 10 DFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000090410714 185294830 /nfs/dbraw/zinc/29/48/30/185294830.db2.gz ZSPIHICCCFEUKS-RDJZCZTQSA-N 1 0 318.465 2.597 20 10 DFCDRO CCCOc1ccc(C[N@H+](CC)Cc2cnn(C)c2)c(O)c1 ZINC000092438055 185318587 /nfs/dbraw/zinc/31/85/87/185318587.db2.gz UTXVQJZNMVCNQR-UHFFFAOYSA-N 1 0 303.406 2.937 20 10 DFCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000092734027 185336887 /nfs/dbraw/zinc/33/68/87/185336887.db2.gz PQFZWMVNZWJIRL-HNNXBMFYSA-N 1 0 320.433 2.529 20 10 DFCDRO COc1cccc(C[NH+]2CCC(c3cnn(C)c3)CC2)c1O ZINC000092808877 185342759 /nfs/dbraw/zinc/34/27/59/185342759.db2.gz IWZBTICOGFBUHJ-UHFFFAOYSA-N 1 0 301.390 2.514 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(c3ccnn3C)CC2)c1O ZINC000092810382 185342922 /nfs/dbraw/zinc/34/29/22/185342922.db2.gz IZFMEGXCOYJCLB-UHFFFAOYSA-N 1 0 315.417 2.904 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(c3cnn(C)c3)CC2)c1O ZINC000092808670 185342934 /nfs/dbraw/zinc/34/29/34/185342934.db2.gz OWUFVQVVPBMTLO-UHFFFAOYSA-N 1 0 315.417 2.904 20 10 DFCDRO C[C@@H]1Cc2ccccc2N(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592527509 398442626 /nfs/dbraw/zinc/44/26/26/398442626.db2.gz HMXNYQWQUZOAKB-HIFRSBDPSA-N 1 0 324.428 2.558 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(N(C)C)cc1 ZINC000089680119 398463824 /nfs/dbraw/zinc/46/38/24/398463824.db2.gz RHRSLPYFOARTKX-RBUKOAKNSA-N 1 0 317.477 2.657 20 10 DFCDRO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090849197 398494783 /nfs/dbraw/zinc/49/47/83/398494783.db2.gz UTEJQMAKXMNGMU-KDOFPFPSSA-N 1 0 322.424 2.618 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000090917692 398496872 /nfs/dbraw/zinc/49/68/72/398496872.db2.gz RUYSEBYIKFAGEP-IPELMVKDSA-N 1 0 317.477 2.657 20 10 DFCDRO C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000273481191 299273823 /nfs/dbraw/zinc/27/38/23/299273823.db2.gz MBAQNQVLMZUHPH-ZLIFDBKOSA-N 1 0 322.424 2.560 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)[C@@]12CCCO2 ZINC000273650485 535409354 /nfs/dbraw/zinc/40/93/54/535409354.db2.gz WLPGJQINCAIMGE-KURKYZTESA-N 1 0 305.418 2.825 20 10 DFCDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000281027572 299302312 /nfs/dbraw/zinc/30/23/12/299302312.db2.gz ZWGXJGRIZAXMQY-XKQJLSEDSA-N 1 0 319.445 2.567 20 10 DFCDRO C[C@@H]([NH3+])CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000237331955 296016870 /nfs/dbraw/zinc/01/68/70/296016870.db2.gz NYZLKIJPZGZTEJ-OAHLLOKOSA-N 1 0 303.450 2.763 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2[C@@H]3CC[C@H]2CN(CC)CC3)c1 ZINC000091892904 193123314 /nfs/dbraw/zinc/12/33/14/193123314.db2.gz WCUHILNMYULDOF-CVEARBPZSA-N 1 0 304.434 2.850 20 10 DFCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)cc2c1OCCO2 ZINC000091956666 193133299 /nfs/dbraw/zinc/13/32/99/193133299.db2.gz MWAAZVYFFMMFEF-UHFFFAOYSA-N 1 0 315.369 2.804 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(OCCCOC)CC2)c1 ZINC000093561561 193268357 /nfs/dbraw/zinc/26/83/57/193268357.db2.gz UGFNDKBZFOGEEV-UHFFFAOYSA-N 1 0 323.433 2.808 20 10 DFCDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000272246661 130011967 /nfs/dbraw/zinc/01/19/67/130011967.db2.gz BJROTMDEPYQWAM-HOTGVXAUSA-N 1 0 306.450 2.725 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000273391979 130115814 /nfs/dbraw/zinc/11/58/14/130115814.db2.gz LAJQLBRXPJCBLC-UONOGXRCSA-N 1 0 320.433 2.561 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273426717 130120373 /nfs/dbraw/zinc/12/03/73/130120373.db2.gz ULMDNTOSBCUDEQ-YMTOWFKASA-N 1 0 303.324 2.845 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c(O)c1 ZINC000273476761 130126583 /nfs/dbraw/zinc/12/65/83/130126583.db2.gz KYWAZBXIRGGEGC-YXJHDRRASA-N 1 0 315.413 2.836 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c(O)c1C ZINC000273568775 130138226 /nfs/dbraw/zinc/13/82/26/130138226.db2.gz KFVOMTBDDHCKAX-HNNXBMFYSA-N 1 0 306.450 2.770 20 10 DFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)C(F)(F)F ZINC000273976027 130193549 /nfs/dbraw/zinc/19/35/49/130193549.db2.gz TWHRORQGUBAIFR-AWEZNQCLSA-N 1 0 304.356 2.886 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)[C@@]12CCCO2 ZINC000274184166 130213921 /nfs/dbraw/zinc/21/39/21/130213921.db2.gz JCUGWPHBNUJCQG-BEMMVCDISA-N 1 0 309.381 2.909 20 10 DFCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(Cl)ccc1O ZINC000281184246 130842376 /nfs/dbraw/zinc/84/23/76/130842376.db2.gz XCDAFIMLKQETEG-APBUJDDRSA-N 1 0 301.839 2.997 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1O ZINC000283171809 130966592 /nfs/dbraw/zinc/96/65/92/130966592.db2.gz ZDAUHYBQOVVABF-ZDUSSCGKSA-N 1 0 321.808 2.955 20 10 DFCDRO COc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000283544958 131002127 /nfs/dbraw/zinc/00/21/27/131002127.db2.gz MWKQLIXWSXZAFG-UHFFFAOYSA-N 1 0 312.417 2.716 20 10 DFCDRO O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c[nH+]cn2c1 ZINC000284197193 131058759 /nfs/dbraw/zinc/05/87/59/131058759.db2.gz YZKFFVZWMWHSME-UHFFFAOYSA-N 1 0 320.396 2.865 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c(O)c1C ZINC000284368497 131074248 /nfs/dbraw/zinc/07/42/48/131074248.db2.gz ODIPSDXSQLJKFU-DZKIICNBSA-N 1 0 309.450 2.818 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1O ZINC000284954602 131125946 /nfs/dbraw/zinc/12/59/46/131125946.db2.gz HRROIEXVLLXDNF-ZIAGYGMSSA-N 1 0 315.841 2.602 20 10 DFCDRO Cc1cccc(CCC[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000285763580 131201059 /nfs/dbraw/zinc/20/10/59/131201059.db2.gz ZPFCBIFMKDLHHQ-UHFFFAOYSA-N 1 0 300.358 2.547 20 10 DFCDRO CCOc1ccc(O)c(C[N@H+](CCOC)Cc2cccnc2)c1 ZINC000289189859 131364652 /nfs/dbraw/zinc/36/46/52/131364652.db2.gz BJRRLBAXTQIZEJ-UHFFFAOYSA-N 1 0 316.401 2.835 20 10 DFCDRO Cc1cnn(C)c1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000289185092 131364845 /nfs/dbraw/zinc/36/48/45/131364845.db2.gz TYIOMSHOSNMOHX-MRXNPFEDSA-N 1 0 315.417 2.615 20 10 DFCDRO COc1ccc(N(C[C@H](O)C[N@H+](C)C2CC2)C(C)C)cc1F ZINC000289352906 131376639 /nfs/dbraw/zinc/37/66/39/131376639.db2.gz LLFCOLQUPCSKJD-OAHLLOKOSA-N 1 0 310.413 2.504 20 10 DFCDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccccc2O)C1 ZINC000299491248 132108022 /nfs/dbraw/zinc/10/80/22/132108022.db2.gz JOFRJGLSSGIBRJ-GJZGRUSLSA-N 1 0 319.449 2.559 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c(C(F)(F)F)c1 ZINC000280335801 542988396 /nfs/dbraw/zinc/98/83/96/542988396.db2.gz RZXUTLUCVZSNDS-CQSZACIVSA-N 1 0 302.340 2.728 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)c1 ZINC000282312113 286339248 /nfs/dbraw/zinc/33/92/48/286339248.db2.gz DNOBDWJIOPMJHJ-XHDPSFHLSA-N 1 0 301.390 2.863 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C12CCOCC2 ZINC000296459091 286399585 /nfs/dbraw/zinc/39/95/85/286399585.db2.gz NSOLWTRELUZFJD-HYVNUMGLSA-N 1 0 317.429 2.943 20 10 DFCDRO CCC[N@H+](CC(=O)NCc1ccco1)Cc1ccccc1O ZINC000069009958 425926982 /nfs/dbraw/zinc/92/69/82/425926982.db2.gz RYGIWMNZHWFNFD-UHFFFAOYSA-N 1 0 302.374 2.514 20 10 DFCDRO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000104136373 425958511 /nfs/dbraw/zinc/95/85/11/425958511.db2.gz ISZCPHSNJQLFHI-KRWDZBQOSA-N 1 0 303.450 2.585 20 10 DFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128452772 426117824 /nfs/dbraw/zinc/11/78/24/426117824.db2.gz FINRUQRHVWYHJL-GFCCVEGCSA-N 1 0 306.797 2.549 20 10 DFCDRO FC(F)(F)CN1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000079644390 426199665 /nfs/dbraw/zinc/19/96/65/426199665.db2.gz BXEIQLJFTJPYLE-CYBMUJFWSA-N 1 0 314.351 2.595 20 10 DFCDRO CCc1ccc([C@H](COC)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000174476860 426258211 /nfs/dbraw/zinc/25/82/11/426258211.db2.gz CQQCGQWFYAQFJP-AWEZNQCLSA-N 1 0 320.345 2.933 20 10 DFCDRO c1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc2c1OCC2 ZINC000151384969 426292848 /nfs/dbraw/zinc/29/28/48/426292848.db2.gz RABURFXHRCHHPW-NVXWUHKLSA-N 1 0 305.443 2.766 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)cc1 ZINC000089729445 426304637 /nfs/dbraw/zinc/30/46/37/426304637.db2.gz HFSLBYSKJRPURP-RHSMWYFYSA-N 1 0 303.450 2.803 20 10 DFCDRO CC(=O)c1cc(F)cc(CN(C)C[C@H]2CCC[N@H+](C)C2)c1O ZINC000175678892 426321603 /nfs/dbraw/zinc/32/16/03/426321603.db2.gz PMZKAAWUXOXYLG-ZDUSSCGKSA-N 1 0 308.397 2.508 20 10 DFCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000090718061 426331420 /nfs/dbraw/zinc/33/14/20/426331420.db2.gz AMAMPLVOJIRSRH-SUMWQHHRSA-N 1 0 322.424 2.738 20 10 DFCDRO C[C@H]([NH2+]Cc1cccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151081713 426276132 /nfs/dbraw/zinc/27/61/32/426276132.db2.gz WJUDQFATHQZGDJ-AWEZNQCLSA-N 1 0 315.392 2.908 20 10 DFCDRO CCCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(O)c1 ZINC000093479840 426356770 /nfs/dbraw/zinc/35/67/70/426356770.db2.gz QTYYYPDIVADSAD-MVVMVCHASA-N 1 0 305.418 2.774 20 10 DFCDRO CCN(CC)c1ccc(C[NH+]2CCC(CC(=O)NC)CC2)cc1 ZINC000093588597 426356833 /nfs/dbraw/zinc/35/68/33/426356833.db2.gz GYNONAFGAXOZOW-UHFFFAOYSA-N 1 0 317.477 2.881 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1 ZINC000152865686 426358334 /nfs/dbraw/zinc/35/83/34/426358334.db2.gz CUZLVJNUKBUJGC-IYOUNJFTSA-N 1 0 322.424 2.880 20 10 DFCDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152976643 426364060 /nfs/dbraw/zinc/36/40/60/426364060.db2.gz ZLJOLJIQLJCEDR-DZGCQCFKSA-N 1 0 310.413 2.738 20 10 DFCDRO C[N@H+](CCOc1ccccc1F)Cc1cc2c(cc1O)OCO2 ZINC000153391853 426384188 /nfs/dbraw/zinc/38/41/88/426384188.db2.gz JPPFSJSWDPOROL-UHFFFAOYSA-N 1 0 319.332 2.771 20 10 DFCDRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccccc1O ZINC000154005987 426418666 /nfs/dbraw/zinc/41/86/66/426418666.db2.gz SZYWAVMQCLLHLE-ZDUSSCGKSA-N 1 0 300.406 2.603 20 10 DFCDRO Cc1cncc(/C=C/C(=O)N(CC[NH+](C)C)c2ccccc2)c1 ZINC000123785115 426452378 /nfs/dbraw/zinc/45/23/78/426452378.db2.gz FMHVABYRSVLCAI-MDZDMXLPSA-N 1 0 309.413 2.998 20 10 DFCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186356352 426511998 /nfs/dbraw/zinc/51/19/98/426511998.db2.gz ZMOYUBFWIVVBMQ-HOCLYGCPSA-N 1 0 322.449 2.529 20 10 DFCDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000186462835 426531708 /nfs/dbraw/zinc/53/17/08/426531708.db2.gz UEBKXQZSVQMVNG-ZFWWWQNUSA-N 1 0 305.422 2.634 20 10 DFCDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2O)C12CCOCC2 ZINC000186456123 426531845 /nfs/dbraw/zinc/53/18/45/426531845.db2.gz MRVMWUILJSJDFF-HOTGVXAUSA-N 1 0 305.418 2.764 20 10 DFCDRO CC[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(C)cc1O ZINC000280251919 426532015 /nfs/dbraw/zinc/53/20/15/426532015.db2.gz WSCZSMHGHLAAQP-AWEZNQCLSA-N 1 0 313.463 2.955 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1F ZINC000280257983 426533388 /nfs/dbraw/zinc/53/33/88/426533388.db2.gz LQEGQMQJSSXFOT-GOSISDBHSA-N 1 0 322.424 2.662 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC000280300623 426543316 /nfs/dbraw/zinc/54/33/16/426543316.db2.gz OWMJMOBTBCZUBL-KDOFPFPSSA-N 1 0 321.417 2.561 20 10 DFCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000280304307 426546007 /nfs/dbraw/zinc/54/60/07/426546007.db2.gz PBVJMKZYUQLSAO-MLGOLLRUSA-N 1 0 311.809 2.734 20 10 DFCDRO Cc1cccc(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1O ZINC000194943831 426496732 /nfs/dbraw/zinc/49/67/32/426496732.db2.gz RCHGTUCZFWHQIT-AWEZNQCLSA-N 1 0 316.405 2.529 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000280400516 426566569 /nfs/dbraw/zinc/56/65/69/426566569.db2.gz XSDPSLZUDRXRGX-KUHUBIRLSA-N 1 0 313.397 2.925 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280404335 426568533 /nfs/dbraw/zinc/56/85/33/426568533.db2.gz YBEZTJFYZYBGMY-SFHVURJKSA-N 1 0 321.417 2.561 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000280411672 426570936 /nfs/dbraw/zinc/57/09/36/426570936.db2.gz HYRZHUSCEQYYPE-PMUMKWKESA-N 1 0 321.417 2.559 20 10 DFCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000224893756 426595913 /nfs/dbraw/zinc/59/59/13/426595913.db2.gz PBNXTDHYUAOQOZ-UHFFFAOYSA-N 1 0 324.421 2.794 20 10 DFCDRO C[C@@H]([NH2+]CC1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178282478 426599060 /nfs/dbraw/zinc/59/90/60/426599060.db2.gz XQXIBUQTOAVHQD-CQSZACIVSA-N 1 0 322.424 2.740 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(Cn3cncn3)CC2)cc1C ZINC000186909695 426607583 /nfs/dbraw/zinc/60/75/83/426607583.db2.gz YJYDLXCLDWGCQP-UHFFFAOYSA-N 1 0 300.406 2.513 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2ccccc2)c1O ZINC000289664537 426670441 /nfs/dbraw/zinc/67/04/41/426670441.db2.gz DBAQRMFJAHTAOD-OAHLLOKOSA-N 1 0 321.804 2.747 20 10 DFCDRO CC(C)C(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000289725694 426672178 /nfs/dbraw/zinc/67/21/78/426672178.db2.gz GKAISEWEILCCBL-INIZCTEOSA-N 1 0 305.418 2.988 20 10 DFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000280878610 426676048 /nfs/dbraw/zinc/67/60/48/426676048.db2.gz ASBXSSYJPJRCQT-UPJWGTAASA-N 1 0 307.390 2.783 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000289923548 426676785 /nfs/dbraw/zinc/67/67/85/426676785.db2.gz XQNDJYCIPHMZSX-AWEZNQCLSA-N 1 0 303.324 2.980 20 10 DFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000280878613 426676970 /nfs/dbraw/zinc/67/69/70/426676970.db2.gz ASBXSSYJPJRCQT-XQQFMLRXSA-N 1 0 307.390 2.783 20 10 DFCDRO COCC1=CC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000187618001 426678564 /nfs/dbraw/zinc/67/85/64/426678564.db2.gz BCGVHWHMXAIOKQ-UHFFFAOYSA-N 1 0 312.207 2.933 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]CC1(O)CCCCC1 ZINC000227744329 426630065 /nfs/dbraw/zinc/63/00/65/426630065.db2.gz ZVIZPGRESUVECB-UHFFFAOYSA-N 1 0 314.223 2.940 20 10 DFCDRO CC[C@@H](C[NH2+]Cc1cccc(OC)c1O)NC(=O)OC(C)(C)C ZINC000227719390 426630385 /nfs/dbraw/zinc/63/03/85/426630385.db2.gz PTDJREVAZZUNJH-ZDUSSCGKSA-N 1 0 324.421 2.794 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC000273576808 426690659 /nfs/dbraw/zinc/69/06/59/426690659.db2.gz LXPHLEVGXZXEMC-MELADBBJSA-N 1 0 320.433 2.698 20 10 DFCDRO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000273989198 426714767 /nfs/dbraw/zinc/71/47/67/426714767.db2.gz WHXKJMGQGIPSCY-AWEZNQCLSA-N 1 0 319.426 2.554 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1OC ZINC000290486958 426775305 /nfs/dbraw/zinc/77/53/05/426775305.db2.gz OKQKSGBGTHVKGR-GDIGMMSISA-N 1 0 311.381 2.837 20 10 DFCDRO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000281565688 426722979 /nfs/dbraw/zinc/72/29/79/426722979.db2.gz KBIPIMHOACWULL-GOEBONIOSA-N 1 0 324.440 2.864 20 10 DFCDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000290259904 426726690 /nfs/dbraw/zinc/72/66/90/426726690.db2.gz VBGPVYMIHGDKGD-DZGCQCFKSA-N 1 0 310.413 2.738 20 10 DFCDRO C[NH+](C)CCN(C(=O)/C=C/c1cncs1)c1ccccc1 ZINC000281660778 426737230 /nfs/dbraw/zinc/73/72/30/426737230.db2.gz OQBRWSIVXATINI-CMDGGOBGSA-N 1 0 301.415 2.751 20 10 DFCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000290322770 426740874 /nfs/dbraw/zinc/74/08/74/426740874.db2.gz OKEUAYJXLIAWIQ-IRWQIABSSA-N 1 0 312.413 2.898 20 10 DFCDRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179554474 426800211 /nfs/dbraw/zinc/80/02/11/426800211.db2.gz CBNPJSQAXSDBEF-UHFFFAOYSA-N 1 0 323.396 2.872 20 10 DFCDRO COc1cc(O)c(C[N@H+](Cc2cccnc2)C2CC2)cc1OC ZINC000290656184 426813734 /nfs/dbraw/zinc/81/37/34/426813734.db2.gz ZIXUKHCIDYCFJV-UHFFFAOYSA-N 1 0 314.385 2.969 20 10 DFCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](CO)CCOC)cc1 ZINC000282175700 426845864 /nfs/dbraw/zinc/84/58/64/426845864.db2.gz JOAWMZXRVDWKER-KRWDZBQOSA-N 1 0 308.466 2.800 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000179470578 426791388 /nfs/dbraw/zinc/79/13/88/426791388.db2.gz TUTYALFOUVIHDN-GOSISDBHSA-N 1 0 313.449 2.961 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000291001141 426872191 /nfs/dbraw/zinc/87/21/91/426872191.db2.gz AWWOIMMGTJZYEJ-MJGOQNOKSA-N 1 0 313.397 2.657 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(O)c1 ZINC000291162134 426877379 /nfs/dbraw/zinc/87/73/79/426877379.db2.gz CPVICPPQJCTLLF-ZDUSSCGKSA-N 1 0 315.360 2.631 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)c1 ZINC000282312110 426879765 /nfs/dbraw/zinc/87/97/65/426879765.db2.gz DNOBDWJIOPMJHJ-ABAIWWIYSA-N 1 0 301.390 2.863 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000247068324 426896771 /nfs/dbraw/zinc/89/67/71/426896771.db2.gz PZPWVGOPLORERI-BBRMVZONSA-N 1 0 313.449 2.708 20 10 DFCDRO OCC[N@H+](Cc1cc(Br)ccc1O)C1CCC1 ZINC000275950769 426955798 /nfs/dbraw/zinc/95/57/98/426955798.db2.gz JLBIZUXHAUEZOK-UHFFFAOYSA-N 1 0 300.196 2.502 20 10 DFCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000282860814 426930947 /nfs/dbraw/zinc/93/09/47/426930947.db2.gz UPIRGKFMRKGHMM-OLZOCXBDSA-N 1 0 323.868 2.930 20 10 DFCDRO CCNC(=O)c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295824161 427019161 /nfs/dbraw/zinc/01/91/61/427019161.db2.gz DONPMXVDKPXBKA-MRXNPFEDSA-N 1 0 310.397 2.919 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1OC ZINC000292064971 427074049 /nfs/dbraw/zinc/07/40/49/427074049.db2.gz KIZSGLNICNYLQA-HNNXBMFYSA-N 1 0 321.417 2.658 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000276745953 427119262 /nfs/dbraw/zinc/11/92/62/427119262.db2.gz DSMRMPBZUXTVET-CQSZACIVSA-N 1 0 308.809 2.551 20 10 DFCDRO CNC(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268803451 427120949 /nfs/dbraw/zinc/12/09/49/427120949.db2.gz GWXWIRNFCPIUAN-HNNXBMFYSA-N 1 0 303.450 2.854 20 10 DFCDRO COCCOC1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CCOCC1 ZINC000296265140 427130107 /nfs/dbraw/zinc/13/01/07/427130107.db2.gz DKGQQDKCKZXGMK-HNNXBMFYSA-N 1 0 323.433 2.563 20 10 DFCDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268925612 427138232 /nfs/dbraw/zinc/13/82/32/427138232.db2.gz XXGGPNJUTNCDHD-RDTXWAMCSA-N 1 0 324.440 2.864 20 10 DFCDRO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000268980100 427142086 /nfs/dbraw/zinc/14/20/86/427142086.db2.gz OPOZUQIRQOZCSR-YOEHRIQHSA-N 1 0 307.507 2.841 20 10 DFCDRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269015760 427144692 /nfs/dbraw/zinc/14/46/92/427144692.db2.gz ODNUYPBRIWRLOT-NVXWUHKLSA-N 1 0 306.450 2.725 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000269172622 427150831 /nfs/dbraw/zinc/15/08/31/427150831.db2.gz AJFQMRGBODXUPX-FZKQIMNGSA-N 1 0 311.429 2.903 20 10 DFCDRO COc1ccc(N2CC[NH+](CCC3CCOCC3)CC2)cc1F ZINC000292676297 427196813 /nfs/dbraw/zinc/19/68/13/427196813.db2.gz QUXUMGKZLJWFAJ-UHFFFAOYSA-N 1 0 322.424 2.773 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000292871201 427204155 /nfs/dbraw/zinc/20/41/55/427204155.db2.gz WMNXOZJNOXTSEX-CQSZACIVSA-N 1 0 316.376 2.908 20 10 DFCDRO Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000269647612 427240634 /nfs/dbraw/zinc/24/06/34/427240634.db2.gz PTIBGGFEWQJTQD-QGZVFWFLSA-N 1 0 315.413 2.881 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1O ZINC000183348987 427250441 /nfs/dbraw/zinc/25/04/41/427250441.db2.gz YRSALZLVDIKMKP-NEPJUHHUSA-N 1 0 316.323 2.596 20 10 DFCDRO Cc1cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)ccc1N(C)C ZINC000293241048 427257878 /nfs/dbraw/zinc/25/78/78/427257878.db2.gz WMZWYHRNSKGCJO-INIZCTEOSA-N 1 0 304.434 2.646 20 10 DFCDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000277656370 427275594 /nfs/dbraw/zinc/27/55/94/427275594.db2.gz DZPBHSMITLWCIS-BXKDBHETSA-N 1 0 300.196 2.669 20 10 DFCDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000277656382 427276283 /nfs/dbraw/zinc/27/62/83/427276283.db2.gz DZPBHSMITLWCIS-SKDRFNHKSA-N 1 0 300.196 2.669 20 10 DFCDRO COc1cccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1O ZINC000270232126 427321452 /nfs/dbraw/zinc/32/14/52/427321452.db2.gz AQVVBHIQVAAZMP-KRWDZBQOSA-N 1 0 305.349 2.537 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c(O)c1 ZINC000293596127 427377216 /nfs/dbraw/zinc/37/72/16/427377216.db2.gz FSZFZNASDWVRGI-HNNXBMFYSA-N 1 0 306.450 2.770 20 10 DFCDRO Cc1cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)ccc1N(C)C ZINC000293632070 427386963 /nfs/dbraw/zinc/38/69/63/427386963.db2.gz RDZZPOMSVWWKIK-QGZVFWFLSA-N 1 0 315.461 2.505 20 10 DFCDRO CC(C)C(=O)NC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271061290 427392296 /nfs/dbraw/zinc/39/22/96/427392296.db2.gz XGANXVXTLHHSMW-UHFFFAOYSA-N 1 0 321.440 2.628 20 10 DFCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271058984 427392706 /nfs/dbraw/zinc/39/27/06/427392706.db2.gz BTBWVWBFNKCBFO-INIZCTEOSA-N 1 0 302.418 2.672 20 10 DFCDRO Cc1ccc(O)c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000271077721 427398535 /nfs/dbraw/zinc/39/85/35/427398535.db2.gz HSARPIUAHQVNLL-UHFFFAOYSA-N 1 0 310.397 2.964 20 10 DFCDRO CCCOc1ccc(C[NH+]2CCC(CNC(C)=O)CC2)c(O)c1 ZINC000271125274 427411502 /nfs/dbraw/zinc/41/15/02/427411502.db2.gz HANRLTWIZLBTJQ-UHFFFAOYSA-N 1 0 320.433 2.529 20 10 DFCDRO CCC[NH+](CCC)CCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000270568709 427364296 /nfs/dbraw/zinc/36/42/96/427364296.db2.gz YBUAYWCBRYAMHQ-UHFFFAOYSA-N 1 0 322.449 2.659 20 10 DFCDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859551 427465174 /nfs/dbraw/zinc/46/51/74/427465174.db2.gz IFLIOMKNDVWNGD-QMTHXVAHSA-N 1 0 300.805 2.957 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000271243474 427465994 /nfs/dbraw/zinc/46/59/94/427465994.db2.gz VEMGLLJAGMLQGX-QGZVFWFLSA-N 1 0 302.393 2.585 20 10 DFCDRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000271259757 427470728 /nfs/dbraw/zinc/47/07/28/427470728.db2.gz JJAIVMFMNNSXNN-AWEZNQCLSA-N 1 0 306.406 2.833 20 10 DFCDRO CC[NH+](CC)CCCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000271159687 427423963 /nfs/dbraw/zinc/42/39/63/427423963.db2.gz PHNCLMNJEUMWRO-UHFFFAOYSA-N 1 0 319.493 2.687 20 10 DFCDRO CCCN(Cc1cc(C(=O)OC)co1)c1ccc(C[NH3+])cc1 ZINC000278300134 427426132 /nfs/dbraw/zinc/42/61/32/427426132.db2.gz DJRZRPNBQKXPOV-UHFFFAOYSA-N 1 0 302.374 2.942 20 10 DFCDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]1NC(=O)OC(C)(C)C ZINC000278306746 427426437 /nfs/dbraw/zinc/42/64/37/427426437.db2.gz DWTTVJYKJFXOEH-GXTWGEPZSA-N 1 0 306.406 2.737 20 10 DFCDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(C)c3O)C2=O)cc1 ZINC000191808641 427430051 /nfs/dbraw/zinc/43/00/51/427430051.db2.gz YHZGNYPSGLSZJS-GOSISDBHSA-N 1 0 324.424 2.900 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000278414169 427435989 /nfs/dbraw/zinc/43/59/89/427435989.db2.gz FOFFPZJNOQCQLV-KEYYUXOJSA-N 1 0 322.424 2.738 20 10 DFCDRO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccccc3O)C2)n(C)n1 ZINC000278442565 427439942 /nfs/dbraw/zinc/43/99/42/427439942.db2.gz KOMNVEHDJKGGEB-HUUCEWRRSA-N 1 0 314.433 2.754 20 10 DFCDRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccccc3O)C2)n(C)n1 ZINC000278442560 427440443 /nfs/dbraw/zinc/44/04/43/427440443.db2.gz KOMNVEHDJKGGEB-GJZGRUSLSA-N 1 0 314.433 2.754 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccccc1O ZINC000278545979 427443211 /nfs/dbraw/zinc/44/32/11/427443211.db2.gz VHRGRYPBXYWSRK-GOEBONIOSA-N 1 0 314.433 2.835 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c1O ZINC000184706018 427524732 /nfs/dbraw/zinc/52/47/32/427524732.db2.gz APYXLQURWHIEDN-LLVKDONJSA-N 1 0 323.824 2.985 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1F ZINC000271440614 427538299 /nfs/dbraw/zinc/53/82/99/427538299.db2.gz PYGRUGDEZQIWSZ-AWEZNQCLSA-N 1 0 308.397 2.667 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000192815785 427615765 /nfs/dbraw/zinc/61/57/65/427615765.db2.gz SUGRXFXDRXEEGE-CABCVRRESA-N 1 0 312.417 2.810 20 10 DFCDRO C[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)N1CCOCC1 ZINC000184935520 427567771 /nfs/dbraw/zinc/56/77/71/427567771.db2.gz QKDBKDSGCGOXNW-GJZGRUSLSA-N 1 0 318.461 2.642 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271537155 427574397 /nfs/dbraw/zinc/57/43/97/427574397.db2.gz QJPLXWNDCAEKFT-OLZOCXBDSA-N 1 0 318.396 2.797 20 10 DFCDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271555398 427582125 /nfs/dbraw/zinc/58/21/25/427582125.db2.gz WOVHMTULYLCJMV-LBPRGKRZSA-N 1 0 318.396 2.545 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000185052325 427586612 /nfs/dbraw/zinc/58/66/12/427586612.db2.gz USADEIVQOVJKBM-LBPRGKRZSA-N 1 0 307.390 2.737 20 10 DFCDRO CO[C@@H](C)c1noc(CN(C)Cc2cccc(Cl)c2[O-])n1 ZINC000271868729 427591141 /nfs/dbraw/zinc/59/11/41/427591141.db2.gz RSCBVMJUFFSSTO-VIFPVBQESA-N 1 0 311.769 2.768 20 10 DFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(OC)n1 ZINC000294524861 427644981 /nfs/dbraw/zinc/64/49/81/427644981.db2.gz GDQKJOHJINKKFR-UHFFFAOYSA-N 1 0 300.406 2.573 20 10 DFCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CC1(O)CCOCC1 ZINC000264070272 427649219 /nfs/dbraw/zinc/64/92/19/427649219.db2.gz RKCIPQCNGICKRU-UHFFFAOYSA-N 1 0 313.397 2.690 20 10 DFCDRO C[C@H]([NH2+]CC1(C)COC1)c1ccc(Br)cc1O ZINC000185441945 427655773 /nfs/dbraw/zinc/65/57/73/427655773.db2.gz PMCRQKNDWGPFFO-VIFPVBQESA-N 1 0 300.196 2.842 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@H](Cc2ccccc2)OC)c1 ZINC000294764325 427656410 /nfs/dbraw/zinc/65/64/10/427656410.db2.gz JKDMNJIWFQYMOV-KRWDZBQOSA-N 1 0 301.386 2.748 20 10 DFCDRO Cc1nocc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294804903 427660756 /nfs/dbraw/zinc/66/07/56/427660756.db2.gz DPFQTQWYWADIBK-MRXNPFEDSA-N 1 0 302.374 2.870 20 10 DFCDRO C[N@H+](CCCCCO)Cc1cc(Br)ccc1O ZINC000279441796 427674778 /nfs/dbraw/zinc/67/47/78/427674778.db2.gz PIDYEWIJYLGSIR-UHFFFAOYSA-N 1 0 302.212 2.749 20 10 DFCDRO O=C1C[C@]2(CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)CN1 ZINC000279487966 427686290 /nfs/dbraw/zinc/68/62/90/427686290.db2.gz UQENRZDWVMWHKO-HXUWFJFHSA-N 1 0 322.408 2.771 20 10 DFCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(C)ccc1O)n2C ZINC000185835657 427717150 /nfs/dbraw/zinc/71/71/50/427717150.db2.gz XCFVQJDJTBMONO-UHFFFAOYSA-N 1 0 311.385 2.886 20 10 DFCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc3c(c1)CCO3)n2C ZINC000185835893 427717653 /nfs/dbraw/zinc/71/76/53/427717653.db2.gz JNNJCZUAWYVTOP-UHFFFAOYSA-N 1 0 323.396 2.807 20 10 DFCDRO CC(C)OC1CC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000185851081 427718028 /nfs/dbraw/zinc/71/80/28/427718028.db2.gz KUKCWKOSAIPFNJ-UHFFFAOYSA-N 1 0 322.424 2.708 20 10 DFCDRO CC[C@H]([NH2+][C@H](C)[C@H](C)N1CCOCC1)c1ccc(C)cc1O ZINC000280011178 427726603 /nfs/dbraw/zinc/72/66/03/427726603.db2.gz GSHPFPAUYKPYFZ-VYDXJSESSA-N 1 0 306.450 2.851 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1cc(F)ccc1O ZINC000359963003 428096040 /nfs/dbraw/zinc/09/60/40/428096040.db2.gz XUMVXDVBBWCMOQ-OCCSQVGLSA-N 1 0 316.380 2.641 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000369967154 428100107 /nfs/dbraw/zinc/10/01/07/428100107.db2.gz LEWWXXFDXZIAPI-AEFFLSMTSA-N 1 0 315.461 2.585 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@H](CO)CC3)CC2)cc1 ZINC000370659789 428265720 /nfs/dbraw/zinc/26/57/20/428265720.db2.gz FNFKZEAJYKXQSG-WKILWMFISA-N 1 0 318.461 2.805 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)c1O ZINC000371417536 428387930 /nfs/dbraw/zinc/38/79/30/428387930.db2.gz LBZCQLZZDISOMQ-HNNXBMFYSA-N 1 0 322.836 2.845 20 10 DFCDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)n1 ZINC000371410028 428389744 /nfs/dbraw/zinc/38/97/44/428389744.db2.gz QRLWQRZSKPCGJY-MRXNPFEDSA-N 1 0 300.406 2.574 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1N1CCOCC1)c1cc(F)ccc1O ZINC000371870626 428406264 /nfs/dbraw/zinc/40/62/64/428406264.db2.gz RLCIZVKJGDXTAT-ZQIUZPCESA-N 1 0 322.424 2.683 20 10 DFCDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000372080159 428412893 /nfs/dbraw/zinc/41/28/93/428412893.db2.gz BWLSUJFYDYIMQM-RTBURBONSA-N 1 0 315.461 2.728 20 10 DFCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCOc3c(F)cccc31)OCO2 ZINC000372881434 428505654 /nfs/dbraw/zinc/50/56/54/428505654.db2.gz XSXNGVCGILIZRV-CYBMUJFWSA-N 1 0 317.316 2.873 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1O ZINC000373217015 428524510 /nfs/dbraw/zinc/52/45/10/428524510.db2.gz PJYYAAQQKANYMJ-WFASDCNBSA-N 1 0 322.836 2.845 20 10 DFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)[C@@H]1C ZINC000373400330 428566583 /nfs/dbraw/zinc/56/65/83/428566583.db2.gz PRAFEPAQEIAAOV-UKPHBRMFSA-N 1 0 316.445 2.746 20 10 DFCDRO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374014461 428660280 /nfs/dbraw/zinc/66/02/80/428660280.db2.gz OBRJUSJFVFVPDK-GPMSIDNRSA-N 1 0 318.461 2.911 20 10 DFCDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000362234556 428670188 /nfs/dbraw/zinc/67/01/88/428670188.db2.gz IBOPLXYSAHODBF-IRXDYDNUSA-N 1 0 302.418 2.676 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(=O)OC)C2)c1O ZINC000374682895 428730000 /nfs/dbraw/zinc/73/00/00/428730000.db2.gz NBFDKXBNMIHNHV-KSSFIOAISA-N 1 0 319.401 2.566 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)cc1 ZINC000374808914 428754920 /nfs/dbraw/zinc/75/49/20/428754920.db2.gz OQTSIEDQUIPXGC-YOEHRIQHSA-N 1 0 315.461 2.995 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1O ZINC000362621279 428793884 /nfs/dbraw/zinc/79/38/84/428793884.db2.gz IPPWTDWVICMAEV-CQSZACIVSA-N 1 0 313.401 2.961 20 10 DFCDRO CCOCc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000363441571 428916734 /nfs/dbraw/zinc/91/67/34/428916734.db2.gz HYGZBBQSCJPXNM-ZWKOTPCHSA-N 1 0 318.461 2.948 20 10 DFCDRO C[C@H]1[N@H+](Cc2cc3c(cc2O)OCO3)CCC12CCOCC2 ZINC000363864146 429001244 /nfs/dbraw/zinc/00/12/44/429001244.db2.gz CKDACIPIEQELGY-GFCCVEGCSA-N 1 0 305.374 2.512 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccccc1O ZINC000376521500 429128245 /nfs/dbraw/zinc/12/82/45/429128245.db2.gz RXNILGKBMWNDCU-HOTGVXAUSA-N 1 0 315.417 2.699 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1O ZINC000364327131 429182902 /nfs/dbraw/zinc/18/29/02/429182902.db2.gz IOCDYSWHQJTREV-AWEZNQCLSA-N 1 0 316.361 2.642 20 10 DFCDRO COc1ccc(NC(=[NH2+])NCc2ccc3c(c2)CCN3C)cc1 ZINC000364412674 429199496 /nfs/dbraw/zinc/19/94/96/429199496.db2.gz FILHHNQNORGGLP-UHFFFAOYSA-N 1 0 310.401 2.824 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(C)cc1O ZINC000365581077 429345127 /nfs/dbraw/zinc/34/51/27/429345127.db2.gz LMDFLUSFVXBCHO-RDJZCZTQSA-N 1 0 304.434 2.605 20 10 DFCDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000366807760 429517893 /nfs/dbraw/zinc/51/78/93/429517893.db2.gz IJMAHVQWERNTOP-GLJUWKHASA-N 1 0 321.417 2.559 20 10 DFCDRO COc1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1O ZINC000366949484 429545860 /nfs/dbraw/zinc/54/58/60/429545860.db2.gz BOAXRQSPMXSASA-UHFFFAOYSA-N 1 0 304.434 2.709 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCN(C)[C@@H](c2ncc[nH]2)C1 ZINC000367306854 429617852 /nfs/dbraw/zinc/61/78/52/429617852.db2.gz BBPLZUGDALBEPY-HUUCEWRRSA-N 1 0 300.406 2.555 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000367309885 429618711 /nfs/dbraw/zinc/61/87/11/429618711.db2.gz YWKMWNAQYDMXFG-DOTOQJQBSA-N 1 0 304.434 2.640 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000367309888 429620062 /nfs/dbraw/zinc/62/00/62/429620062.db2.gz YWKMWNAQYDMXFG-WBVHZDCISA-N 1 0 304.434 2.640 20 10 DFCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCn2ccnc2C1 ZINC000367667079 429695787 /nfs/dbraw/zinc/69/57/87/429695787.db2.gz AAMTXQUMKPXRKL-LBPRGKRZSA-N 1 0 305.809 2.937 20 10 DFCDRO CCOc1cccc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000289626214 276380037 /nfs/dbraw/zinc/38/00/37/276380037.db2.gz LUECUPVZCUCABI-GDBMZVCRSA-N 1 0 304.434 2.850 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(Br)cc1O ZINC000367683473 429700083 /nfs/dbraw/zinc/70/00/83/429700083.db2.gz CRCJHBXJNFHVMZ-STRQVWJDSA-N 1 0 312.207 2.698 20 10 DFCDRO Cc1cccc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1O ZINC000367956343 429752912 /nfs/dbraw/zinc/75/29/12/429752912.db2.gz NBXCBIQBOABYEO-WBVHZDCISA-N 1 0 305.418 2.500 20 10 DFCDRO CCc1noc([C@H]2C[C@H](O)C[N@H+]2[C@@H](CC)c2ccccc2O)n1 ZINC000368040702 429773374 /nfs/dbraw/zinc/77/33/74/429773374.db2.gz SMXAVGUJJPVHPZ-FPMFFAJLSA-N 1 0 317.389 2.597 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000368362472 429838055 /nfs/dbraw/zinc/83/80/55/429838055.db2.gz GBJVQKIVMDWCSJ-JGGQBBKZSA-N 1 0 311.447 2.707 20 10 DFCDRO COc1ccc(N2CCC[N@H+](Cc3cncc(F)c3)CC2)cc1 ZINC000368494104 429857403 /nfs/dbraw/zinc/85/74/03/429857403.db2.gz LWEXDAZOZNOQHJ-UHFFFAOYSA-N 1 0 315.392 2.942 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(n3cccn3)CC2)c1 ZINC000368799045 429895523 /nfs/dbraw/zinc/89/55/23/429895523.db2.gz UOGYVAZPEDHSID-CYBMUJFWSA-N 1 0 301.390 2.995 20 10 DFCDRO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000291375057 277238105 /nfs/dbraw/zinc/23/81/05/277238105.db2.gz ZROIMMONOVOASH-LJQANCHMSA-N 1 0 318.461 2.914 20 10 DFCDRO COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1O ZINC000271247098 277243670 /nfs/dbraw/zinc/24/36/70/277243670.db2.gz WBKCUXPUQHDYSA-UHFFFAOYSA-N 1 0 303.358 2.673 20 10 DFCDRO COc1cccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000092785758 278010288 /nfs/dbraw/zinc/01/02/88/278010288.db2.gz CINDJUSIFLJZBY-MRXNPFEDSA-N 1 0 304.434 2.851 20 10 DFCDRO Cc1cccc(N(CCC(N)=O)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662252591 431017306 /nfs/dbraw/zinc/01/73/06/431017306.db2.gz BJAOTEYNEIRRIZ-UHFFFAOYSA-N 1 0 323.440 2.523 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000184914414 295168368 /nfs/dbraw/zinc/16/83/68/295168368.db2.gz BLWTZZVZQOOJAE-KKUMJFAQSA-N 1 0 322.449 2.551 20 10 DFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)CO)c1O ZINC000187052230 301070537 /nfs/dbraw/zinc/07/05/37/301070537.db2.gz RZJCXJSGTLKVQT-SCZZXKLOSA-N 1 0 302.212 2.742 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1C ZINC000182861917 301369296 /nfs/dbraw/zinc/36/92/96/301369296.db2.gz NUJBDTOTRWUMEK-UHFFFAOYSA-N 1 0 305.418 2.638 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000156380910 332789870 /nfs/dbraw/zinc/78/98/70/332789870.db2.gz FNCBRTLKZHASCY-MAUKXSAKSA-N 1 0 304.434 2.743 20 10 DFCDRO CCOCc1cc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)ccc1OC ZINC000292889662 335097307 /nfs/dbraw/zinc/09/73/07/335097307.db2.gz CWOQHSCOUFCBQX-KSSFIOAISA-N 1 0 307.434 2.872 20 10 DFCDRO CN1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1=O ZINC000293758184 335113118 /nfs/dbraw/zinc/11/31/18/335113118.db2.gz OSGZLBXIRZQGEY-AEFFLSMTSA-N 1 0 324.424 2.886 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc2ccccc2c1O ZINC000294300163 335120667 /nfs/dbraw/zinc/12/06/67/335120667.db2.gz NHQBUXSDHLRPLL-YUELXQCFSA-N 1 0 301.386 2.736 20 10 DFCDRO C[C@](O)(C[NH2+]Cc1cc(F)ccc1O)c1ccc(F)cc1F ZINC000180740286 333165074 /nfs/dbraw/zinc/16/50/74/333165074.db2.gz PTYMSOLZWZDDEJ-INIZCTEOSA-N 1 0 311.303 2.807 20 10 DFCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)O ZINC000294933908 335128856 /nfs/dbraw/zinc/12/88/56/335128856.db2.gz HQBLHUOZDVZEEI-CXAGYDPISA-N 1 0 324.440 2.862 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](O)[C@H]2C)c1O ZINC000294958455 335129259 /nfs/dbraw/zinc/12/92/59/335129259.db2.gz IDTDWRIGAIYTPT-ZWNOBZJWSA-N 1 0 314.223 2.808 20 10 DFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000311002953 333277108 /nfs/dbraw/zinc/27/71/08/333277108.db2.gz VOHYZQMLMBYTKW-AWEZNQCLSA-N 1 0 312.207 2.910 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](O)C[C@@H]3C)cc2)CC1 ZINC000295217960 335131101 /nfs/dbraw/zinc/13/11/01/335131101.db2.gz QOEANSHOXBCFEW-YJBOKZPZSA-N 1 0 318.461 2.647 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1F ZINC000295155138 335132859 /nfs/dbraw/zinc/13/28/59/335132859.db2.gz RNJJPRBRPDLFKB-MRXNPFEDSA-N 1 0 320.383 2.724 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000296250946 335142732 /nfs/dbraw/zinc/14/27/32/335142732.db2.gz BIOULTUMAIPVAX-FUHWJXTLSA-N 1 0 319.493 2.640 20 10 DFCDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000296256952 335142862 /nfs/dbraw/zinc/14/28/62/335142862.db2.gz DCXVLQYSPKPFMQ-KDOFPFPSSA-N 1 0 320.502 2.736 20 10 DFCDRO CCn1cc(C[NH2+]Cc2cc(Br)cc(C)c2O)cn1 ZINC000271876000 334027966 /nfs/dbraw/zinc/02/79/66/334027966.db2.gz ZEMXRYIQCXINQT-UHFFFAOYSA-N 1 0 324.222 2.969 20 10 DFCDRO CCn1cnnc1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273409647 334046291 /nfs/dbraw/zinc/04/62/91/334046291.db2.gz PHUOEDYCIQGYPI-LBPRGKRZSA-N 1 0 300.406 2.733 20 10 DFCDRO COc1c([O-])c(C[N@H+](C)CCCOC(C)C)ccc1[N+](=O)[O-] ZINC000278274785 334094409 /nfs/dbraw/zinc/09/44/09/334094409.db2.gz SBRVXMWLNQWWLK-UHFFFAOYSA-N 1 0 312.366 2.556 20 10 DFCDRO CC[C@H]([NH2+]C1CCN(C(=O)OC)CC1)c1ccc(C)cc1O ZINC000280193837 334114962 /nfs/dbraw/zinc/11/49/62/334114962.db2.gz SMLZNICMWXIHRL-HNNXBMFYSA-N 1 0 306.406 2.972 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000352110154 336195318 /nfs/dbraw/zinc/19/53/18/336195318.db2.gz AETQEDSJNVMUNJ-KRWDZBQOSA-N 1 0 301.434 2.689 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)cc1 ZINC000360889858 336725964 /nfs/dbraw/zinc/72/59/64/336725964.db2.gz VUILJMNZMBVIFK-HNNXBMFYSA-N 1 0 304.434 2.680 20 10 DFCDRO CN(C)c1ccc(CN2CC[NH+]([C@H]3CCSC3)CC2)cc1F ZINC000367536889 336824533 /nfs/dbraw/zinc/82/45/33/336824533.db2.gz ZOTODLJXBAREDW-HNNXBMFYSA-N 1 0 323.481 2.515 20 10 DFCDRO COc1ccc2c(c1)[C@](O)(C[NH2+]Cc1ccccc1O)CCC2 ZINC000371357075 336901390 /nfs/dbraw/zinc/90/13/90/336901390.db2.gz FXLNYSRROHVBGP-LJQANCHMSA-N 1 0 313.397 2.715 20 10 DFCDRO CCOC(=O)C1(C)CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000371616230 336909094 /nfs/dbraw/zinc/90/90/94/336909094.db2.gz LYAYPZSQOFLNLJ-UHFFFAOYSA-N 1 0 321.417 2.956 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000371835160 336914232 /nfs/dbraw/zinc/91/42/32/336914232.db2.gz QUECJDBRESVNRM-JQHSSLGASA-N 1 0 318.461 2.995 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c(O)c1 ZINC000371835315 336914239 /nfs/dbraw/zinc/91/42/39/336914239.db2.gz RZDXACKOPBYYTF-JQHSSLGASA-N 1 0 318.461 2.995 20 10 DFCDRO O=C(c1cccc(O)c1O)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000372491838 336932920 /nfs/dbraw/zinc/93/29/20/336932920.db2.gz CHEMWXZCIRWYBK-AWEZNQCLSA-N 1 0 318.417 2.578 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCn3ccnc32)cc1F ZINC000372588619 336934961 /nfs/dbraw/zinc/93/49/61/336934961.db2.gz SBXVJGURVLHCSJ-CQSZACIVSA-N 1 0 302.397 2.755 20 10 DFCDRO COCCn1ncc2c1[C@@H]([NH2+]Cc1cccc(C)c1O)CCC2 ZINC000375207528 337005850 /nfs/dbraw/zinc/00/58/50/337005850.db2.gz MDCLDBDZRHVFIR-INIZCTEOSA-N 1 0 315.417 2.711 20 10 DFCDRO COCc1nccc([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000375843551 337021084 /nfs/dbraw/zinc/02/10/84/337021084.db2.gz SYTCAKBGZAUNDJ-CQSZACIVSA-N 1 0 313.401 2.708 20 10 DFCDRO CCc1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000375845840 337021210 /nfs/dbraw/zinc/02/12/10/337021210.db2.gz HIJIYULMBHNONJ-UONOGXRCSA-N 1 0 314.433 2.829 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)CC2 ZINC000375852820 337021363 /nfs/dbraw/zinc/02/13/63/337021363.db2.gz XVHCTUXHTMKUIF-PWSUYJOCSA-N 1 0 320.824 2.865 20 10 DFCDRO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000377384472 337051483 /nfs/dbraw/zinc/05/14/83/337051483.db2.gz WVZDBRMHIRVSLJ-HUTHGQBESA-N 1 0 317.316 2.872 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000377550888 337055133 /nfs/dbraw/zinc/05/51/33/337055133.db2.gz SLMWGYVWUVYWAB-BMFZPTHFSA-N 1 0 302.418 2.834 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(Nc3cccnc3)CC2)c1 ZINC000377622921 337056509 /nfs/dbraw/zinc/05/65/09/337056509.db2.gz JGMSMVAZYWUWJF-UHFFFAOYSA-N 1 0 313.401 2.872 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(Cn2cncn2)CC1 ZINC000377730545 337059862 /nfs/dbraw/zinc/05/98/62/337059862.db2.gz ZDXUVPSMGORVDB-MRXNPFEDSA-N 1 0 300.406 2.847 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1N1CCOCC1 ZINC000378341808 337070236 /nfs/dbraw/zinc/07/02/36/337070236.db2.gz MDRWQJIEIQHOES-BBRMVZONSA-N 1 0 324.852 2.588 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000378474233 337073778 /nfs/dbraw/zinc/07/37/78/337073778.db2.gz MFPZNLZSOZEDOZ-ZFWWWQNUSA-N 1 0 313.449 2.572 20 10 DFCDRO CCC[C@H](C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)[NH+](C)C ZINC000378542818 337075424 /nfs/dbraw/zinc/07/54/24/337075424.db2.gz PAHICJYOADCLGV-GOSISDBHSA-N 1 0 315.461 2.709 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cnn(C)c2C)c1O ZINC000228671091 337078121 /nfs/dbraw/zinc/07/81/21/337078121.db2.gz QGWSFWHRGSCKQP-VIFPVBQESA-N 1 0 309.797 2.947 20 10 DFCDRO Oc1cc2c(cc1C[NH2+]C1CCC3(CCOCC3)CC1)OCO2 ZINC000360018329 337083880 /nfs/dbraw/zinc/08/38/80/337083880.db2.gz GKRVMNJKVIQMAD-UHFFFAOYSA-N 1 0 319.401 2.950 20 10 DFCDRO Oc1ccccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000179583924 337170251 /nfs/dbraw/zinc/17/02/51/337170251.db2.gz IUNIDXBDGWAPJT-QGZVFWFLSA-N 1 0 305.418 2.942 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1O ZINC000179907170 337172562 /nfs/dbraw/zinc/17/25/62/337172562.db2.gz YKCWTZQVHQJQQJ-KRWDZBQOSA-N 1 0 305.418 2.861 20 10 DFCDRO COc1cc(O)c(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1OC ZINC000179981810 337172983 /nfs/dbraw/zinc/17/29/83/337172983.db2.gz TWLBOMGQGSMTHZ-UHFFFAOYSA-N 1 0 317.389 2.512 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552381 337249095 /nfs/dbraw/zinc/24/90/95/337249095.db2.gz DPDJSEJZVIGSAY-GJZGRUSLSA-N 1 0 314.433 2.754 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c(O)c1 ZINC000186051300 337253135 /nfs/dbraw/zinc/25/31/35/337253135.db2.gz YCQJIISQFAGSQS-GJZGRUSLSA-N 1 0 312.417 2.810 20 10 DFCDRO Cc1cc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)n[nH]1 ZINC000189021181 337276486 /nfs/dbraw/zinc/27/64/86/337276486.db2.gz CXVKDSHRNFLFNB-UHFFFAOYSA-N 1 0 322.412 2.899 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@]2(CO)CCc3ccccc32)c1 ZINC000359961878 337440973 /nfs/dbraw/zinc/44/09/73/337440973.db2.gz UDQOUQMYHZJYOZ-YJYMSZOUSA-N 1 0 313.397 2.885 20 10 DFCDRO CCn1ncc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000527921924 337775102 /nfs/dbraw/zinc/77/51/02/337775102.db2.gz ABWNTRFOCSPWMB-GFCCVEGCSA-N 1 0 300.406 2.733 20 10 DFCDRO COc1cccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1O ZINC000092662180 337906883 /nfs/dbraw/zinc/90/68/83/337906883.db2.gz GUJZSSQALVKJEJ-INIZCTEOSA-N 1 0 321.417 2.561 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237218393 340669009 /nfs/dbraw/zinc/66/90/09/340669009.db2.gz RSRSXEZSFAWTKV-IAGOWNOFSA-N 1 0 315.461 2.763 20 10 DFCDRO C[NH2+]CCc1ccccc1C(=O)N1CCCN(C)c2ccccc21 ZINC000564659170 341506199 /nfs/dbraw/zinc/50/61/99/341506199.db2.gz SZCAREKMMHWNQH-UHFFFAOYSA-N 1 0 323.440 2.935 20 10 DFCDRO CC(=O)N1CCN(c2ccc(CNc3cc[nH+]c(C)c3)cc2)CC1 ZINC000189419827 519592987 /nfs/dbraw/zinc/59/29/87/519592987.db2.gz IKSORZSOMFMZFQ-UHFFFAOYSA-N 1 0 324.428 2.671 20 10 DFCDRO CCN(C)C(=O)CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000130076896 520141983 /nfs/dbraw/zinc/14/19/83/520141983.db2.gz RQIAHUDYFLWSIA-UHFFFAOYSA-N 1 0 317.477 2.977 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)C[NH2+]CC3CC3)cc2)CC1 ZINC000269262026 521041632 /nfs/dbraw/zinc/04/16/32/521041632.db2.gz NGNVGACDIFEXTQ-UHFFFAOYSA-N 1 0 315.461 2.539 20 10 DFCDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000126542002 521138890 /nfs/dbraw/zinc/13/88/90/521138890.db2.gz GHFPLFBFBVQABW-WBVHZDCISA-N 1 0 303.450 2.804 20 10 DFCDRO CCOc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000271182619 521146938 /nfs/dbraw/zinc/14/69/38/521146938.db2.gz YAHFFYAEMQZSBH-MRXNPFEDSA-N 1 0 304.434 2.851 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000265157591 521151619 /nfs/dbraw/zinc/15/16/19/521151619.db2.gz QIYTZFXKNNWBTG-GOSISDBHSA-N 1 0 301.386 2.788 20 10 DFCDRO CC[N@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1ccc(N(C)C)cc1 ZINC000156845421 521280017 /nfs/dbraw/zinc/28/00/17/521280017.db2.gz PZGUPIZAVVKYRE-UHFFFAOYSA-N 1 0 315.417 2.889 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1O ZINC000265218316 521369931 /nfs/dbraw/zinc/36/99/31/521369931.db2.gz GAPNESNZPOWLDT-HNNXBMFYSA-N 1 0 305.349 2.753 20 10 DFCDRO CCSc1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)ccn1 ZINC000189582720 521734028 /nfs/dbraw/zinc/73/40/28/521734028.db2.gz JRBCHZZEZVXFOO-UHFFFAOYSA-N 1 0 318.398 2.918 20 10 DFCDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265289662 521897139 /nfs/dbraw/zinc/89/71/39/521897139.db2.gz ZBQMSFXKQKZDTE-LJQANCHMSA-N 1 0 315.413 2.936 20 10 DFCDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000237259524 522085893 /nfs/dbraw/zinc/08/58/93/522085893.db2.gz SSPFGSBDMCOMJE-QGZVFWFLSA-N 1 0 311.429 2.918 20 10 DFCDRO COC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1 ZINC000188362334 522869641 /nfs/dbraw/zinc/86/96/41/522869641.db2.gz YSSUAXXBZVLSMZ-VQIMIIECSA-N 1 0 318.461 2.913 20 10 DFCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)CC1(O)CCCCCC1 ZINC000190139749 523185711 /nfs/dbraw/zinc/18/57/11/523185711.db2.gz KQOVANSGWFVRBZ-UHFFFAOYSA-N 1 0 307.390 2.638 20 10 DFCDRO CCn1cc(C[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000265592543 523385304 /nfs/dbraw/zinc/38/53/04/523385304.db2.gz ZVROVVXETOLZDX-UHFFFAOYSA-N 1 0 310.195 2.661 20 10 DFCDRO CN1CCCc2cc(C[NH2+]C3CCC4(CC3)OCCO4)ccc21 ZINC000171378353 523863452 /nfs/dbraw/zinc/86/34/52/523863452.db2.gz KXRKDAGHCCDOOQ-UHFFFAOYSA-N 1 0 316.445 2.844 20 10 DFCDRO COc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)c(O)c1 ZINC000366287889 524069130 /nfs/dbraw/zinc/06/91/30/524069130.db2.gz UOHFVXNKHSHKBO-UHFFFAOYSA-N 1 0 319.430 2.616 20 10 DFCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000267292326 524085073 /nfs/dbraw/zinc/08/50/73/524085073.db2.gz YDLLGYQOLLOJHK-CQSZACIVSA-N 1 0 303.450 2.809 20 10 DFCDRO Cc1cccc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1O ZINC000180248697 524400455 /nfs/dbraw/zinc/40/04/55/524400455.db2.gz QHWBWONPUQFQKA-MRXNPFEDSA-N 1 0 311.429 2.974 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)Cc3ccn(C)n3)CC2)cc1 ZINC000367433166 524403040 /nfs/dbraw/zinc/40/30/40/524403040.db2.gz UNVGYAVHLZPCDE-UHFFFAOYSA-N 1 0 314.433 2.530 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H]3CCOC3)CC2)cc1 ZINC000157363333 524404236 /nfs/dbraw/zinc/40/42/36/524404236.db2.gz XJTYWOTTZHVYMA-LSDHHAIUSA-N 1 0 304.434 2.679 20 10 DFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(F)cn3)CC2)cc1 ZINC000364945502 524405114 /nfs/dbraw/zinc/40/51/14/524405114.db2.gz FBKBLPAIEYYMGB-UHFFFAOYSA-N 1 0 315.392 2.942 20 10 DFCDRO Cc1cccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000182671690 524432892 /nfs/dbraw/zinc/43/28/92/524432892.db2.gz IWEBJGOSDZBYAP-QGZVFWFLSA-N 1 0 324.424 2.839 20 10 DFCDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)C[C@@H](C)O1 ZINC000179990316 524964881 /nfs/dbraw/zinc/96/48/81/524964881.db2.gz KCNJVBMIBYWIEG-CPUCHLNUSA-N 1 0 322.424 2.605 20 10 DFCDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182387924 525206763 /nfs/dbraw/zinc/20/67/63/525206763.db2.gz CRICAKNBFTUUAT-XIKOKIGWSA-N 1 0 317.385 2.794 20 10 DFCDRO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(N2CCCCC2)cc1 ZINC000183210783 525311240 /nfs/dbraw/zinc/31/12/40/525311240.db2.gz FVSRKSWUWKOHEQ-AWEZNQCLSA-N 1 0 303.450 2.839 20 10 DFCDRO C[C@H]([NH2+]CCN1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000128210593 525349921 /nfs/dbraw/zinc/34/99/21/525349921.db2.gz HEEUAUUPLDDDJV-KRWDZBQOSA-N 1 0 317.477 2.660 20 10 DFCDRO C[C@@H]([NH2+]CCN1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000128210842 525449138 /nfs/dbraw/zinc/44/91/38/525449138.db2.gz HEEUAUUPLDDDJV-QGZVFWFLSA-N 1 0 317.477 2.660 20 10 DFCDRO C[C@@H]([NH2+]CCOCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000268873574 525452325 /nfs/dbraw/zinc/45/23/25/525452325.db2.gz GMVJICHXOZVGMX-OAHLLOKOSA-N 1 0 304.434 2.600 20 10 DFCDRO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158032095 525478071 /nfs/dbraw/zinc/47/80/71/525478071.db2.gz UJHBZAZGKATLBW-KCPJHIHWSA-N 1 0 322.836 2.782 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000179891613 525684359 /nfs/dbraw/zinc/68/43/59/525684359.db2.gz GADRYMIITSQGKD-DOMZBBRYSA-N 1 0 314.360 2.987 20 10 DFCDRO C[C@@]1(O)CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000129397480 525881614 /nfs/dbraw/zinc/88/16/14/525881614.db2.gz ZEJMZTXZZMZRPK-CYBMUJFWSA-N 1 0 300.196 2.502 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCCC[C@@H]2O)c1O ZINC000190265446 526156872 /nfs/dbraw/zinc/15/68/72/526156872.db2.gz KQEXVOZSSDWDGB-STQMWFEESA-N 1 0 314.223 2.856 20 10 DFCDRO Cc1cc(C(=O)N(C)[C@H](C)C[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000237636526 526225973 /nfs/dbraw/zinc/22/59/73/526225973.db2.gz MKKZZIFLRIBKMU-GFCCVEGCSA-N 1 0 303.381 2.652 20 10 DFCDRO Oc1ccccc1C[N@H+](CCOCC(F)F)C[C@H]1CCCO1 ZINC000189661857 526372940 /nfs/dbraw/zinc/37/29/40/526372940.db2.gz SVBRMJPSZDLBRI-CQSZACIVSA-N 1 0 315.360 2.655 20 10 DFCDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273402545 534957696 /nfs/dbraw/zinc/95/76/96/534957696.db2.gz NLKGUJVDIVKWNG-QWHCGFSZSA-N 1 0 307.394 2.683 20 10 DFCDRO CCCN(CCC)c1ccc(C[NH2+]Cc2cnnn2C)cc1 ZINC000288455000 535327583 /nfs/dbraw/zinc/32/75/83/535327583.db2.gz NJTAGXPXRKLLMR-UHFFFAOYSA-N 1 0 301.438 2.731 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)[C@]12CCCO2 ZINC000274184173 535512815 /nfs/dbraw/zinc/51/28/15/535512815.db2.gz JCUGWPHBNUJCQG-IAOMBJDPSA-N 1 0 309.381 2.909 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1[O-] ZINC000287896194 535805081 /nfs/dbraw/zinc/80/50/81/535805081.db2.gz ZHUOGXWZSJGPKZ-SWLSCSKDSA-N 1 0 312.841 2.543 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccccc1O ZINC000278544666 535808246 /nfs/dbraw/zinc/80/82/46/535808246.db2.gz VHRGRYPBXYWSRK-GDBMZVCRSA-N 1 0 314.433 2.835 20 10 DFCDRO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cc(C)ccc1O ZINC000284504627 536623526 /nfs/dbraw/zinc/62/35/26/536623526.db2.gz CSQSVQICQKGQKX-JFIYKMOQSA-N 1 0 305.418 2.717 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3OC)CC2)cc1 ZINC000163901816 536670909 /nfs/dbraw/zinc/67/09/09/536670909.db2.gz FHUYJCZWPQINKK-QZTJIDSGSA-N 1 0 304.434 2.821 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000273552583 536793507 /nfs/dbraw/zinc/79/35/07/536793507.db2.gz GEVGZKSFLZUFDU-ZDUSSCGKSA-N 1 0 320.433 2.561 20 10 DFCDRO COCC1(CC[NH2+]Cc2cc(OC)c(OC)cc2O)CCC1 ZINC000293745009 536818226 /nfs/dbraw/zinc/81/82/26/536818226.db2.gz WFHSGUDCBWENBY-UHFFFAOYSA-N 1 0 309.406 2.706 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000822259302 599397607 /nfs/dbraw/zinc/39/76/07/599397607.db2.gz SXZVPKAJRBVGPX-GFCCVEGCSA-N 1 0 309.373 2.732 20 10 DFCDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469626 185172835 /nfs/dbraw/zinc/17/28/35/185172835.db2.gz RUMMFMFECGNPMW-CYBMUJFWSA-N 1 0 308.397 2.508 20 10 DFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000090411942 185295050 /nfs/dbraw/zinc/29/50/50/185295050.db2.gz OYGUPNWEKKZFBD-HOCLYGCPSA-N 1 0 318.465 2.597 20 10 DFCDRO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092708096 185335238 /nfs/dbraw/zinc/33/52/38/185335238.db2.gz GNDARXPKMZVWHP-MRXNPFEDSA-N 1 0 303.450 2.633 20 10 DFCDRO COc1cccc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)c1 ZINC000021322899 398412729 /nfs/dbraw/zinc/41/27/29/398412729.db2.gz BMZIQNRPPIDWJD-UHFFFAOYSA-N 1 0 301.342 2.762 20 10 DFCDRO C[C@H]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2ccccc21 ZINC000592495590 398433593 /nfs/dbraw/zinc/43/35/93/398433593.db2.gz MRJMWSXAHHCFMZ-UONOGXRCSA-N 1 0 324.428 2.873 20 10 DFCDRO Cc1ccc2c(c1)N(C(=O)c1cnn3c1[C@H](C[NH3+])CCC3)CCC2 ZINC000592532488 398443688 /nfs/dbraw/zinc/44/36/88/398443688.db2.gz IWWWEKUEMPCWHV-HNNXBMFYSA-N 1 0 324.428 2.621 20 10 DFCDRO Cc1cccc2c1CCCN2C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592533901 398443807 /nfs/dbraw/zinc/44/38/07/398443807.db2.gz NYQORCROUFVPBV-CQSZACIVSA-N 1 0 324.428 2.621 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)cc1 ZINC000090057038 398477031 /nfs/dbraw/zinc/47/70/31/398477031.db2.gz PNGSJCHTOPNZDV-KSSFIOAISA-N 1 0 306.450 2.581 20 10 DFCDRO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000090951063 398497982 /nfs/dbraw/zinc/49/79/82/398497982.db2.gz LSFWDNCASRWPMO-QAPCUYQASA-N 1 0 306.450 2.725 20 10 DFCDRO CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000283993582 535059260 /nfs/dbraw/zinc/05/92/60/535059260.db2.gz MYZMCLZWEUMBJI-WBVHZDCISA-N 1 0 307.434 2.780 20 10 DFCDRO CCOC(=O)N1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000083551730 192372606 /nfs/dbraw/zinc/37/26/06/192372606.db2.gz RIRMGINDCJJQPF-UHFFFAOYSA-N 1 0 312.797 2.756 20 10 DFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000093056518 398617460 /nfs/dbraw/zinc/61/74/60/398617460.db2.gz XBTFSQHSOALNHF-UHFFFAOYSA-N 1 0 318.808 2.548 20 10 DFCDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000093482003 398639070 /nfs/dbraw/zinc/63/90/70/398639070.db2.gz DNYULVDLLRUKEI-GXFFZTMASA-N 1 0 314.223 2.890 20 10 DFCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC000093613068 398642116 /nfs/dbraw/zinc/64/21/16/398642116.db2.gz HEDOOGVOUZXOON-MSOLQXFVSA-N 1 0 318.461 2.505 20 10 DFCDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000093870192 398648806 /nfs/dbraw/zinc/64/88/06/398648806.db2.gz MYXFRKVGCVBGKJ-LBPRGKRZSA-N 1 0 305.809 2.844 20 10 DFCDRO CCOc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1O ZINC000236951892 202089829 /nfs/dbraw/zinc/08/98/29/202089829.db2.gz XIMDHKFUZSYBPX-UHFFFAOYSA-N 1 0 302.330 2.989 20 10 DFCDRO c1ncn(Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000054174524 398892691 /nfs/dbraw/zinc/89/26/91/398892691.db2.gz KXGBGIUZKCXOLH-UHFFFAOYSA-N 1 0 320.396 2.551 20 10 DFCDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000079434324 399043933 /nfs/dbraw/zinc/04/39/33/399043933.db2.gz YUTLSLNBRFLLGA-HZPDHXFCSA-N 1 0 309.381 2.859 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000093134402 193206331 /nfs/dbraw/zinc/20/63/31/193206331.db2.gz BEQOHKQNQAKLKT-CQSZACIVSA-N 1 0 312.417 2.618 20 10 DFCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](CCO)c1ccccc1 ZINC000093442746 193252424 /nfs/dbraw/zinc/25/24/24/193252424.db2.gz QCNHECPVSXIIJP-OAHLLOKOSA-N 1 0 315.369 2.676 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)OCO2 ZINC000093438421 193253251 /nfs/dbraw/zinc/25/32/51/193253251.db2.gz AKEOFHZQDOOVFX-ZDUSSCGKSA-N 1 0 301.346 2.571 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000134042688 296148455 /nfs/dbraw/zinc/14/84/55/296148455.db2.gz NHYZLNCWONNFQD-ARFHVFGLSA-N 1 0 305.466 2.512 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1O ZINC000272486492 130035351 /nfs/dbraw/zinc/03/53/51/130035351.db2.gz DBFGLTNYEJQKLT-MNOVXSKESA-N 1 0 314.223 2.666 20 10 DFCDRO Cc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c(O)c1O ZINC000272888849 130070927 /nfs/dbraw/zinc/07/09/27/130070927.db2.gz YYLDOKGJQFXFCM-UHFFFAOYSA-N 1 0 314.385 2.763 20 10 DFCDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000273077332 130088427 /nfs/dbraw/zinc/08/84/27/130088427.db2.gz PRWXLQRHZROZHO-ZSEKCTLFSA-N 1 0 303.427 2.916 20 10 DFCDRO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc2ccccc2c1O ZINC000273502155 130129564 /nfs/dbraw/zinc/12/95/64/130129564.db2.gz QKHXAEQKFJGGLC-PXAZEXFGSA-N 1 0 311.385 2.663 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@]23CCCO3)c1O ZINC000273561884 130136531 /nfs/dbraw/zinc/13/65/31/130136531.db2.gz FAUVUZXPPRAWNI-NUJGCVRESA-N 1 0 321.417 2.607 20 10 DFCDRO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273591861 130142408 /nfs/dbraw/zinc/14/24/08/130142408.db2.gz PIQMYVGMGJGUJM-STQMWFEESA-N 1 0 300.406 2.602 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(Br)ccc1O ZINC000273621295 130145912 /nfs/dbraw/zinc/14/59/12/130145912.db2.gz ZBEGISQDVLLDTK-NXEZZACHSA-N 1 0 301.228 2.755 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)[C@]12CCCO2 ZINC000274214994 130217720 /nfs/dbraw/zinc/21/77/20/130217720.db2.gz NJICUPTZWMVGCF-DUOKCRBOSA-N 1 0 321.417 2.778 20 10 DFCDRO CC[C@@H]([NH2+]CCCOCCOCCOC)c1ccccc1O ZINC000274767543 130261027 /nfs/dbraw/zinc/26/10/27/130261027.db2.gz LRJOOQBSQRTTDX-MRXNPFEDSA-N 1 0 311.422 2.503 20 10 DFCDRO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O)C1CC1 ZINC000275482289 130326991 /nfs/dbraw/zinc/32/69/91/130326991.db2.gz BDEHFLJNNGXULP-QGZVFWFLSA-N 1 0 302.418 2.676 20 10 DFCDRO C[C@@H](C[NH2+]Cc1cc(F)ccc1O)N(C)C(=O)OC(C)(C)C ZINC000283147829 130963592 /nfs/dbraw/zinc/96/35/92/130963592.db2.gz XGCBEVHQJDKHHI-NSHDSACASA-N 1 0 312.385 2.876 20 10 DFCDRO COc1cccc(C[NH2+]Cc2ccnc(OC(F)F)c2)c1O ZINC000284123087 131050707 /nfs/dbraw/zinc/05/07/07/131050707.db2.gz TZYWEQFXHGSOEX-UHFFFAOYSA-N 1 0 310.300 2.687 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c(O)c1 ZINC000284125420 131051304 /nfs/dbraw/zinc/05/13/04/131051304.db2.gz NYYZRDMDCSSJHH-OAHLLOKOSA-N 1 0 306.450 2.770 20 10 DFCDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000284983167 131127940 /nfs/dbraw/zinc/12/79/40/131127940.db2.gz GELKFADOUVHYKC-GDBMZVCRSA-N 1 0 304.434 2.918 20 10 DFCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000285048680 131133905 /nfs/dbraw/zinc/13/39/05/131133905.db2.gz ILHCHGVTCLUFMO-ZIAGYGMSSA-N 1 0 306.406 2.890 20 10 DFCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000285539626 131178275 /nfs/dbraw/zinc/17/82/75/131178275.db2.gz PUWDGMFRDFLWED-INIZCTEOSA-N 1 0 315.369 2.507 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1F ZINC000285538787 131178642 /nfs/dbraw/zinc/17/86/42/131178642.db2.gz QJDNYGOMYYOAQM-RHSMWYFYSA-N 1 0 321.440 2.675 20 10 DFCDRO O=C([C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1)N1CCCC1 ZINC000288562587 131330662 /nfs/dbraw/zinc/33/06/62/131330662.db2.gz JROKTBDJLWXIGX-MRXNPFEDSA-N 1 0 324.424 2.990 20 10 DFCDRO CCOc1ccc(O)c(C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000289186374 131364723 /nfs/dbraw/zinc/36/47/23/131364723.db2.gz BAHPAEZCRJIYHF-UHFFFAOYSA-N 1 0 316.401 2.571 20 10 DFCDRO OC[C@@H]1CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)O1 ZINC000292828814 131680569 /nfs/dbraw/zinc/68/05/69/131680569.db2.gz XPOJEKAYEVSJDW-MSOLQXFVSA-N 1 0 313.397 2.689 20 10 DFCDRO Cc1cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)ccc1N(C)C ZINC000294567677 131845518 /nfs/dbraw/zinc/84/55/18/131845518.db2.gz LYIAATHAWKITGT-UHFFFAOYSA-N 1 0 317.477 2.751 20 10 DFCDRO CN(C)C(=O)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCCC1 ZINC000297918518 132040971 /nfs/dbraw/zinc/04/09/71/132040971.db2.gz WZOJMIZBCGSGNO-AWEZNQCLSA-N 1 0 302.418 2.618 20 10 DFCDRO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1O)C1CCCCC1 ZINC000299555631 132111113 /nfs/dbraw/zinc/11/11/13/132111113.db2.gz YJNOJERTDJZERX-MRXNPFEDSA-N 1 0 319.449 2.702 20 10 DFCDRO CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000286363335 286907583 /nfs/dbraw/zinc/90/75/83/286907583.db2.gz ZHVYFEMOUHAGLH-QGZVFWFLSA-N 1 0 323.456 2.598 20 10 DFCDRO CCOc1cccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000063255992 425900289 /nfs/dbraw/zinc/90/02/89/425900289.db2.gz UIXWWYRRCRLKMV-UHFFFAOYSA-N 1 0 301.342 2.809 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000155972187 425930910 /nfs/dbraw/zinc/93/09/10/425930910.db2.gz BBQBYZUAVJIGNG-SFHVURJKSA-N 1 0 312.413 2.890 20 10 DFCDRO Nc1ccc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000071700416 425988798 /nfs/dbraw/zinc/98/87/98/425988798.db2.gz NXLIZSRFCZSRSQ-IBGZPJMESA-N 1 0 323.440 2.765 20 10 DFCDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)on1 ZINC000125494617 425975308 /nfs/dbraw/zinc/97/53/08/425975308.db2.gz VTMXADPTSONILX-CQSZACIVSA-N 1 0 301.390 2.670 20 10 DFCDRO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+](C)Cc1ccccc1O ZINC000109773354 426033415 /nfs/dbraw/zinc/03/34/15/426033415.db2.gz AOCZMXUAHZJHFR-AWEZNQCLSA-N 1 0 310.397 2.802 20 10 DFCDRO C[C@@H]1CN(CCC[NH2+]Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000113317006 426111655 /nfs/dbraw/zinc/11/16/55/426111655.db2.gz QUNXTYJOOCTBRJ-BETUJISGSA-N 1 0 312.841 2.635 20 10 DFCDRO CN(C)C(=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CCCC1 ZINC000113348752 426112711 /nfs/dbraw/zinc/11/27/11/426112711.db2.gz WTTYFNGELKZEKU-UHFFFAOYSA-N 1 0 310.825 2.784 20 10 DFCDRO COc1ccc(N2CCC[N@H+](CCc3ccccn3)CC2)cc1 ZINC000077234910 426124279 /nfs/dbraw/zinc/12/42/79/426124279.db2.gz BACRYVRSGCBQDF-UHFFFAOYSA-N 1 0 311.429 2.845 20 10 DFCDRO Cc1csc(C(C)(C)[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000116382015 426188026 /nfs/dbraw/zinc/18/80/26/426188026.db2.gz ZOFVNZJEJYBRCM-UHFFFAOYSA-N 1 0 306.387 2.911 20 10 DFCDRO COc1ccccc1C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000119462266 426289494 /nfs/dbraw/zinc/28/94/94/426289494.db2.gz ZYOKEVHCRRKKJH-UHFFFAOYSA-N 1 0 301.342 2.762 20 10 DFCDRO CCCCOCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000119564196 426297538 /nfs/dbraw/zinc/29/75/38/426297538.db2.gz CMOZGGSNSQPJSA-MRXNPFEDSA-N 1 0 306.450 2.991 20 10 DFCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000090718063 426330410 /nfs/dbraw/zinc/33/04/10/426330410.db2.gz AMAMPLVOJIRSRH-CXAGYDPISA-N 1 0 322.424 2.738 20 10 DFCDRO CC[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000151194682 426282881 /nfs/dbraw/zinc/28/28/81/426282881.db2.gz BVGLFNAJUJFRKX-GOSISDBHSA-N 1 0 305.466 2.516 20 10 DFCDRO Cn1cc(C[N@H+](C)Cc2ccccc2O)c(-c2cccnc2)n1 ZINC000091956703 426345060 /nfs/dbraw/zinc/34/50/60/426345060.db2.gz MIWCBCIBYSLPIG-UHFFFAOYSA-N 1 0 308.385 2.820 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1 ZINC000092097147 426346090 /nfs/dbraw/zinc/34/60/90/426346090.db2.gz KZRJIJHVKPORLD-UWWQBHOKSA-N 1 0 321.417 2.559 20 10 DFCDRO CC[C@](C)([NH2+]Cc1cc2c(cc1O)OCO2)c1nccs1 ZINC000152645045 426349306 /nfs/dbraw/zinc/34/93/06/426349306.db2.gz BUQCVBFXNBQFMC-HNNXBMFYSA-N 1 0 306.387 2.992 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)cc1 ZINC000121616461 426350973 /nfs/dbraw/zinc/35/09/73/426350973.db2.gz QRBRARULMCGQCW-UHFFFAOYSA-N 1 0 311.429 2.780 20 10 DFCDRO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152769518 426352822 /nfs/dbraw/zinc/35/28/22/426352822.db2.gz IOEKZKITANTKSA-ZIAGYGMSSA-N 1 0 310.413 2.738 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000092810968 426353514 /nfs/dbraw/zinc/35/35/14/426353514.db2.gz XKPUMGBSHTXGJH-UHFFFAOYSA-N 1 0 301.390 2.894 20 10 DFCDRO COCC[N@H+](Cc1ccc(C)o1)Cc1cc2c(cc1O)OCO2 ZINC000093707276 426357225 /nfs/dbraw/zinc/35/72/25/426357225.db2.gz FCDUDVJURCYWCX-UHFFFAOYSA-N 1 0 319.357 2.671 20 10 DFCDRO CN(C)c1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1 ZINC000122070977 426357442 /nfs/dbraw/zinc/35/74/42/426357442.db2.gz DDWXNVPAAXNTEK-UHFFFAOYSA-N 1 0 311.429 2.630 20 10 DFCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000093819896 426358590 /nfs/dbraw/zinc/35/85/90/426358590.db2.gz WAVQRHRRZISOKT-CQSZACIVSA-N 1 0 312.207 2.767 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC000093612057 426358611 /nfs/dbraw/zinc/35/86/11/426358611.db2.gz DVXVWWRBELJHMY-AWEZNQCLSA-N 1 0 319.323 2.680 20 10 DFCDRO C[N@H+](CCN1CCCC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000097153150 426454751 /nfs/dbraw/zinc/45/47/51/426454751.db2.gz IHCJZIRQNXQQRJ-UHFFFAOYSA-N 1 0 315.461 2.731 20 10 DFCDRO CC[C@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1ccccc1O ZINC000154980712 426460652 /nfs/dbraw/zinc/46/06/52/426460652.db2.gz PLMMFPDKDPANBV-DLBZAZTESA-N 1 0 306.450 2.790 20 10 DFCDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1 ZINC000155293168 426468462 /nfs/dbraw/zinc/46/84/62/426468462.db2.gz UIYZLNUVVHCJDF-BFYDXBDKSA-N 1 0 304.434 2.599 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000280192073 426516951 /nfs/dbraw/zinc/51/69/51/426516951.db2.gz HKUNLOQAHYNKHH-QFBILLFUSA-N 1 0 318.461 2.913 20 10 DFCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)C12CCOCC2 ZINC000186456010 426530970 /nfs/dbraw/zinc/53/09/70/426530970.db2.gz NEVXNQJZOWDNPL-CVEARBPZSA-N 1 0 309.381 2.595 20 10 DFCDRO COc1ccc(O)c(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000224803875 426594673 /nfs/dbraw/zinc/59/46/73/426594673.db2.gz VCYNCBNXSUENOV-LBPRGKRZSA-N 1 0 324.421 2.794 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc1OC ZINC000289195802 426603147 /nfs/dbraw/zinc/60/31/47/426603147.db2.gz BCIVNODGXJXWHP-UKRRQHHQSA-N 1 0 323.433 2.925 20 10 DFCDRO CCC[NH+](CCC)CCCC(=O)NCc1cccc(OC)c1O ZINC000264457648 426558060 /nfs/dbraw/zinc/55/80/60/426558060.db2.gz QRDZTLHMWHHXPH-UHFFFAOYSA-N 1 0 322.449 2.919 20 10 DFCDRO CCN(CC)c1ccc(CN2CCO[C@@]3(CCOC3)C2)cc1F ZINC000187533864 426669573 /nfs/dbraw/zinc/66/95/73/426669573.db2.gz UAVGMQDKGPYEFG-SFHVURJKSA-N 1 0 322.424 2.663 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CCO)c2ccco2)c1O ZINC000187528311 426670291 /nfs/dbraw/zinc/67/02/91/426670291.db2.gz RVZBAEXZGQMKBK-LBPRGKRZSA-N 1 0 311.765 2.861 20 10 DFCDRO COc1cccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1O ZINC000289717325 426672766 /nfs/dbraw/zinc/67/27/66/426672766.db2.gz FJJPYDWMXTZWIH-APWZRJJASA-N 1 0 313.397 2.657 20 10 DFCDRO COc1cccc(C[NH2+]Cc2nc3cc(C)ccc3n2C)c1O ZINC000187574922 426674036 /nfs/dbraw/zinc/67/40/36/426674036.db2.gz WHWVOWNDEXIWNJ-UHFFFAOYSA-N 1 0 311.385 2.886 20 10 DFCDRO COc1ccc(O)c(C[NH2+]Cc2nc3cc(C)ccc3n2C)c1 ZINC000187580484 426674410 /nfs/dbraw/zinc/67/44/10/426674410.db2.gz JQPXPJITGFDUBW-UHFFFAOYSA-N 1 0 311.385 2.886 20 10 DFCDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1)c1ccccc1 ZINC000280891283 426678249 /nfs/dbraw/zinc/67/82/49/426678249.db2.gz DNBBFRGTLMHBOB-MRXNPFEDSA-N 1 0 310.397 2.877 20 10 DFCDRO CCOc1cccc(C[NH2+]CCc2cccnc2OC)c1O ZINC000289983115 426679366 /nfs/dbraw/zinc/67/93/66/426679366.db2.gz ZVEZTNONEGITJC-UHFFFAOYSA-N 1 0 302.374 2.527 20 10 DFCDRO [NH3+]C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000178710379 426680283 /nfs/dbraw/zinc/68/02/83/426680283.db2.gz BTIDVJVTDLJJOX-IBGZPJMESA-N 1 0 323.440 2.646 20 10 DFCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)C1CCS(=O)(=O)CC1 ZINC000280655074 426627334 /nfs/dbraw/zinc/62/73/34/426627334.db2.gz SLGUULOSBGYOQU-CQSZACIVSA-N 1 0 324.490 2.575 20 10 DFCDRO CC[C@H](C)[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000187724726 426689676 /nfs/dbraw/zinc/68/96/76/426689676.db2.gz UKEAXRLPZJNJMX-ZDUSSCGKSA-N 1 0 308.422 2.633 20 10 DFCDRO CCOCc1nc([C@@H](C)N[C@@H](C)c2ccc(F)cc2O)no1 ZINC000290157451 426704724 /nfs/dbraw/zinc/70/47/24/426704724.db2.gz LSCOQYIAMACXNT-VHSXEESVSA-N 1 0 309.341 2.863 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cccnc2OC)c1 ZINC000290189088 426712535 /nfs/dbraw/zinc/71/25/35/426712535.db2.gz ODWJHSKFTIBABV-GFCCVEGCSA-N 1 0 302.374 2.698 20 10 DFCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1cc(F)ccc1O ZINC000290205311 426715817 /nfs/dbraw/zinc/71/58/17/426715817.db2.gz GXFPWOFVEHNEBG-NCHVAJSOSA-N 1 0 303.333 2.677 20 10 DFCDRO COC[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000280964136 426695065 /nfs/dbraw/zinc/69/50/65/426695065.db2.gz KUGPSPFEFNYDHI-RDJZCZTQSA-N 1 0 306.450 2.725 20 10 DFCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NCCCOCC ZINC000266514322 426728367 /nfs/dbraw/zinc/72/83/67/426728367.db2.gz ATDWMXLQEOVTIQ-OAHLLOKOSA-N 1 0 322.449 2.536 20 10 DFCDRO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179556378 426799899 /nfs/dbraw/zinc/79/98/99/426799899.db2.gz YQLFJRTYOYESFB-UHFFFAOYSA-N 1 0 306.406 2.835 20 10 DFCDRO O=C1CCCCN1CC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179577753 426801854 /nfs/dbraw/zinc/80/18/54/426801854.db2.gz IZTNSNVWTRRVQS-UHFFFAOYSA-N 1 0 302.418 2.617 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1 ZINC000246134840 426802416 /nfs/dbraw/zinc/80/24/16/426802416.db2.gz KZRJIJHVKPORLD-QGPMSJSTSA-N 1 0 321.417 2.559 20 10 DFCDRO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1O ZINC000290609433 426805771 /nfs/dbraw/zinc/80/57/71/426805771.db2.gz WJHWMTLJLZBGMD-TZMCWYRMSA-N 1 0 306.406 2.880 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000290637270 426811353 /nfs/dbraw/zinc/81/13/53/426811353.db2.gz YGVLQMUTSKLVCL-CYBMUJFWSA-N 1 0 322.836 2.798 20 10 DFCDRO CN1CCCc2cc(C[NH2+]Cc3c[nH]c4nccnc34)ccc21 ZINC000290813082 426845767 /nfs/dbraw/zinc/84/57/67/426845767.db2.gz GIMZDGGZSLUFKK-UHFFFAOYSA-N 1 0 307.401 2.630 20 10 DFCDRO CCCN(CC)C[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000290932120 426870792 /nfs/dbraw/zinc/87/07/92/426870792.db2.gz PBTBOAHWZIMRCG-CYBMUJFWSA-N 1 0 310.438 2.619 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]CCc2cccnc2OC)c1O ZINC000290963419 426872542 /nfs/dbraw/zinc/87/25/42/426872542.db2.gz RUHAUCSBVSPXRL-UHFFFAOYSA-N 1 0 322.792 2.790 20 10 DFCDRO COCCOCc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000291089339 426876181 /nfs/dbraw/zinc/87/61/81/426876181.db2.gz WXRZYJNVXWJASI-UHFFFAOYSA-N 1 0 319.376 2.984 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000291205313 426880368 /nfs/dbraw/zinc/88/03/68/426880368.db2.gz HZLOGNWAIAJCTN-FQEVSTJZSA-N 1 0 310.441 2.889 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291205315 426881419 /nfs/dbraw/zinc/88/14/19/426881419.db2.gz HZLOGNWAIAJCTN-HXUWFJFHSA-N 1 0 310.441 2.889 20 10 DFCDRO OC[C@]1(C[NH2+]Cc2cc(F)ccc2O)C[C@H]1c1ccccc1 ZINC000291460535 426887392 /nfs/dbraw/zinc/88/73/92/426887392.db2.gz DCGQIAXUVPHICM-FUHWJXTLSA-N 1 0 301.361 2.787 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC000247018083 426892040 /nfs/dbraw/zinc/89/20/40/426892040.db2.gz ZIUBTEKAPQXKBD-LRDDRELGSA-N 1 0 307.365 2.735 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000283143220 426964233 /nfs/dbraw/zinc/96/42/33/426964233.db2.gz WZFYFFQIAZDTGH-LBPRGKRZSA-N 1 0 324.421 2.746 20 10 DFCDRO Cc1cc(N2CCC([NH2+]Cc3cccc(Cl)c3[O-])CC2)n[nH]1 ZINC000276099914 426984638 /nfs/dbraw/zinc/98/46/38/426984638.db2.gz WLLNALQQMWHRQL-UHFFFAOYSA-N 1 0 320.824 2.836 20 10 DFCDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000282921901 426935348 /nfs/dbraw/zinc/93/53/48/426935348.db2.gz HIKDPJDJCCBVRX-INIZCTEOSA-N 1 0 311.385 2.788 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000295551798 427002413 /nfs/dbraw/zinc/00/24/13/427002413.db2.gz PLOITOKNOLZOQC-SFHVURJKSA-N 1 0 318.461 2.913 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)c(O)c1C ZINC000283446621 427016275 /nfs/dbraw/zinc/01/62/75/427016275.db2.gz UIBXXDPSXOWHFO-HIFRSBDPSA-N 1 0 302.418 2.861 20 10 DFCDRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc2ccccc2c1O ZINC000295802875 427016412 /nfs/dbraw/zinc/01/64/12/427016412.db2.gz AHHKCBZUHDJPMZ-CQSZACIVSA-N 1 0 314.429 2.653 20 10 DFCDRO CCNC(=O)c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295824157 427019180 /nfs/dbraw/zinc/01/91/80/427019180.db2.gz DONPMXVDKPXBKA-INIZCTEOSA-N 1 0 310.397 2.919 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)c1O ZINC000248815532 427044786 /nfs/dbraw/zinc/04/47/86/427044786.db2.gz IIZYAVGGWSQRRI-BJJXKVORSA-N 1 0 319.401 2.564 20 10 DFCDRO CO[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CC1(C)C ZINC000296027273 427048739 /nfs/dbraw/zinc/04/87/39/427048739.db2.gz NJKYZGFKNJQIIH-OAHLLOKOSA-N 1 0 309.381 2.981 20 10 DFCDRO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000268897264 427138112 /nfs/dbraw/zinc/13/81/12/427138112.db2.gz PHAYEOFRUVCDIF-YOEHRIQHSA-N 1 0 306.450 2.581 20 10 DFCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000268909591 427138496 /nfs/dbraw/zinc/13/84/96/427138496.db2.gz MLSJXKSOAYGUDN-HNNXBMFYSA-N 1 0 303.450 2.537 20 10 DFCDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268902355 427140088 /nfs/dbraw/zinc/14/00/88/427140088.db2.gz QMBQGSMSRZBAOH-PMUMKWKESA-N 1 0 324.440 2.720 20 10 DFCDRO CC(C)n1cnnc1CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000292677119 427197105 /nfs/dbraw/zinc/19/71/05/427197105.db2.gz AJHMKTUFFCUVID-UHFFFAOYSA-N 1 0 305.401 2.696 20 10 DFCDRO FC(F)C(F)(F)COCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277430167 427199912 /nfs/dbraw/zinc/19/99/12/427199912.db2.gz CDFZSAMWSJXYQG-UHFFFAOYSA-N 1 0 307.287 2.628 20 10 DFCDRO Cc1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)ccc1N(C)C ZINC000292829401 427202326 /nfs/dbraw/zinc/20/23/26/427202326.db2.gz OPWBRTPGTRHMIR-SJORKVTESA-N 1 0 306.475 2.767 20 10 DFCDRO Cc1cc(C[NH+]2CCC3(CC2)OCCCO3)ccc1N(C)C ZINC000292988708 427209981 /nfs/dbraw/zinc/20/99/81/427209981.db2.gz LXIMAAMGFJALMG-UHFFFAOYSA-N 1 0 304.434 2.790 20 10 DFCDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293188711 427240703 /nfs/dbraw/zinc/24/07/03/427240703.db2.gz SZBZHBFLNONGBY-UHFFFAOYSA-N 1 0 303.450 2.504 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1O ZINC000183348970 427249675 /nfs/dbraw/zinc/24/96/75/427249675.db2.gz YRSALZLVDIKMKP-RYUDHWBXSA-N 1 0 316.323 2.596 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cnn(C)c2C)c1O ZINC000183385319 427259281 /nfs/dbraw/zinc/25/92/81/427259281.db2.gz HOIGXKVLZCBYHC-SECBINFHSA-N 1 0 305.353 2.627 20 10 DFCDRO CCOC1CC(O)(C[NH2+]Cc2ccc(N(CC)CC)cc2)C1 ZINC000277697885 427287577 /nfs/dbraw/zinc/28/75/77/427287577.db2.gz LEWZXEUDAJIPEF-UHFFFAOYSA-N 1 0 306.450 2.552 20 10 DFCDRO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccccc1O ZINC000183604184 427301287 /nfs/dbraw/zinc/30/12/87/427301287.db2.gz YEYHDPUOGXNUDA-GFCCVEGCSA-N 1 0 304.415 2.924 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCCO[C@@H](C)C3)cc2)CC1 ZINC000297026467 427308599 /nfs/dbraw/zinc/30/85/99/427308599.db2.gz HBRCQCBTPAFUMP-INIZCTEOSA-N 1 0 318.461 2.913 20 10 DFCDRO CCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271045613 427385738 /nfs/dbraw/zinc/38/57/38/427385738.db2.gz QQXLXJURVHEJQY-UHFFFAOYSA-N 1 0 321.440 2.630 20 10 DFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271058988 427391871 /nfs/dbraw/zinc/39/18/71/427391871.db2.gz BTBWVWBFNKCBFO-MRXNPFEDSA-N 1 0 302.418 2.672 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000293660859 427397702 /nfs/dbraw/zinc/39/77/02/427397702.db2.gz NTVPPHLPQPYUOI-UHFFFAOYSA-N 1 0 307.390 2.520 20 10 DFCDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000270631835 427364245 /nfs/dbraw/zinc/36/42/45/427364245.db2.gz HTGRZVGBBYNXDV-WBMJQRKESA-N 1 0 307.390 2.804 20 10 DFCDRO CC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)CC(C)(C)O ZINC000270780925 427366863 /nfs/dbraw/zinc/36/68/63/427366863.db2.gz OQTMQPWCUDQGHK-UHFFFAOYSA-N 1 0 320.477 2.895 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(Br)cc1O ZINC000293842628 427459584 /nfs/dbraw/zinc/45/95/84/427459584.db2.gz WYNSSHNOMZCHFM-KBVBSXBZSA-N 1 0 300.196 2.983 20 10 DFCDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000192111671 427482888 /nfs/dbraw/zinc/48/28/88/427482888.db2.gz HNXAUYUUKGFGIN-LSDHHAIUSA-N 1 0 303.450 2.522 20 10 DFCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000278874656 427485225 /nfs/dbraw/zinc/48/52/25/427485225.db2.gz SATGJPRMLDLALD-TXPKVOOTSA-N 1 0 318.461 2.867 20 10 DFCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000293756558 427425706 /nfs/dbraw/zinc/42/57/06/427425706.db2.gz QVTIPKNJPDABPR-OLZOCXBDSA-N 1 0 308.422 2.604 20 10 DFCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000293756552 427427324 /nfs/dbraw/zinc/42/73/24/427427324.db2.gz QVTIPKNJPDABPR-CHWSQXEVSA-N 1 0 308.422 2.604 20 10 DFCDRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1c(O)cccc1Cl ZINC000271180979 427436068 /nfs/dbraw/zinc/43/60/68/427436068.db2.gz DLGHTVQCRKKFHT-CYBMUJFWSA-N 1 0 309.768 2.878 20 10 DFCDRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccccc3O)C2)n(C)n1 ZINC000278442571 427438524 /nfs/dbraw/zinc/43/85/24/427438524.db2.gz KOMNVEHDJKGGEB-LSDHHAIUSA-N 1 0 314.433 2.754 20 10 DFCDRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccccc3O)C2)n(C)n1 ZINC000278442556 427438847 /nfs/dbraw/zinc/43/88/47/427438847.db2.gz KOMNVEHDJKGGEB-CABCVRRESA-N 1 0 314.433 2.754 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000278424619 427440336 /nfs/dbraw/zinc/44/03/36/427440336.db2.gz SENXBLARTHWQAA-ZFWWWQNUSA-N 1 0 316.367 2.888 20 10 DFCDRO COc1c(O)c(CNc2cc(C)cc(C)[nH+]2)ccc1[N+](=O)[O-] ZINC000278525624 427441849 /nfs/dbraw/zinc/44/18/49/427441849.db2.gz TUPGVKAOUMXDPE-UHFFFAOYSA-N 1 0 303.318 2.933 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](COC)[C@@H]2CCCO2)cc1 ZINC000278687815 427446503 /nfs/dbraw/zinc/44/65/03/427446503.db2.gz GTXCHLKUXZZPBO-WBAXXEDZSA-N 1 0 306.450 2.987 20 10 DFCDRO Cc1c(-c2cc(C[N@H+](C)Cc3ccccc3O)on2)cnn1C ZINC000184654724 427510490 /nfs/dbraw/zinc/51/04/90/427510490.db2.gz IVSPXPDDPIWHAM-UHFFFAOYSA-N 1 0 312.373 2.721 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c(O)c1 ZINC000271413320 427528659 /nfs/dbraw/zinc/52/86/59/427528659.db2.gz KNJRBYMKLIWPDB-INIZCTEOSA-N 1 0 321.417 2.956 20 10 DFCDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1cc(Br)ccc1O ZINC000279086741 427552183 /nfs/dbraw/zinc/55/21/83/427552183.db2.gz NCUTZMWFANRMNR-VHSXEESVSA-N 1 0 302.212 2.966 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184914296 427564143 /nfs/dbraw/zinc/56/41/43/427564143.db2.gz BOUKXHXHZDSNHY-BZUAXINKSA-N 1 0 306.450 2.851 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000184914631 427564890 /nfs/dbraw/zinc/56/48/90/427564890.db2.gz XLOCIGAAGLWLGC-OAGGEKHMSA-N 1 0 306.450 2.851 20 10 DFCDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000185004907 427577106 /nfs/dbraw/zinc/57/71/06/427577106.db2.gz HXIRLGINLGOUIG-KFKAGJAMSA-N 1 0 323.440 2.903 20 10 DFCDRO COc1cc(O)c(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1OC ZINC000271694944 427580358 /nfs/dbraw/zinc/58/03/58/427580358.db2.gz AMNAPRALICSJCL-UHFFFAOYSA-N 1 0 317.389 2.512 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000271766401 427584824 /nfs/dbraw/zinc/58/48/24/427584824.db2.gz AJMMJHUKNBUSNQ-HNNXBMFYSA-N 1 0 307.777 2.877 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000271726093 427586786 /nfs/dbraw/zinc/58/67/86/427586786.db2.gz LNDFCFZSRMRACC-UHFFFAOYSA-N 1 0 321.417 2.955 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1 ZINC000271873096 427591798 /nfs/dbraw/zinc/59/17/98/427591798.db2.gz YJHUXGYSEXDZPE-QGZVFWFLSA-N 1 0 323.339 2.676 20 10 DFCDRO Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000271900555 427592045 /nfs/dbraw/zinc/59/20/45/427592045.db2.gz VNFNRGKNEPWACN-KRWDZBQOSA-N 1 0 310.397 2.591 20 10 DFCDRO C[C@@H]([NH2+]C1CCOCC1)c1ccc(Br)cc1O ZINC000185078922 427592837 /nfs/dbraw/zinc/59/28/37/427592837.db2.gz XGVMHLQOJHJVGR-SECBINFHSA-N 1 0 300.196 2.984 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)c(O)c1 ZINC000185100297 427595831 /nfs/dbraw/zinc/59/58/31/427595831.db2.gz URQXGCMPRZEXDL-ZDUSSCGKSA-N 1 0 316.376 2.920 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)c(O)c1 ZINC000185100274 427597199 /nfs/dbraw/zinc/59/71/99/427597199.db2.gz URQXGCMPRZEXDL-CYBMUJFWSA-N 1 0 316.376 2.920 20 10 DFCDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000271940783 427597372 /nfs/dbraw/zinc/59/73/72/427597372.db2.gz BQZYGRBDDSFUJP-KGLIPLIRSA-N 1 0 307.390 2.804 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c1 ZINC000192939157 427637776 /nfs/dbraw/zinc/63/77/76/427637776.db2.gz NNZPQZNTGHEWRW-ZFWWWQNUSA-N 1 0 309.406 2.637 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(Br)cc1O ZINC000185387083 427641957 /nfs/dbraw/zinc/64/19/57/427641957.db2.gz JCYAWWVVRREQKT-KOLCDFICSA-N 1 0 300.196 2.984 20 10 DFCDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000294706871 427647387 /nfs/dbraw/zinc/64/73/87/427647387.db2.gz DKNAFPOMQDETIW-LBPRGKRZSA-N 1 0 300.196 2.812 20 10 DFCDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185462829 427656814 /nfs/dbraw/zinc/65/68/14/427656814.db2.gz HLBRAUJNJZJGAG-RNCFNFMXSA-N 1 0 302.212 2.822 20 10 DFCDRO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000294792276 427659661 /nfs/dbraw/zinc/65/96/61/427659661.db2.gz MAVJOWKAWGLGIA-LLVKDONJSA-N 1 0 312.797 2.708 20 10 DFCDRO CCn1nccc1C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000279398155 427661366 /nfs/dbraw/zinc/66/13/66/427661366.db2.gz KURCBTOQIKLDRZ-UHFFFAOYSA-N 1 0 315.417 2.997 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294861499 427662663 /nfs/dbraw/zinc/66/26/63/427662663.db2.gz TWVDUDVHROZSBD-CQSZACIVSA-N 1 0 304.434 2.814 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc2c(cc1O)CCCC2 ZINC000185502736 427663134 /nfs/dbraw/zinc/66/31/34/427663134.db2.gz FVTWFQNSOJRBHE-WFASDCNBSA-N 1 0 302.418 2.542 20 10 DFCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCO[C@@H](c2cccnc2)C1 ZINC000295002132 427669957 /nfs/dbraw/zinc/66/99/57/427669957.db2.gz LMWXUTPFRWRUMY-DOTOQJQBSA-N 1 0 302.349 2.936 20 10 DFCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185866954 427721350 /nfs/dbraw/zinc/72/13/50/427721350.db2.gz JZXDPRDKRFOUEM-LBPRGKRZSA-N 1 0 303.406 2.856 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc(F)ccc1O ZINC000185813294 427710514 /nfs/dbraw/zinc/71/05/14/427710514.db2.gz MKMMTPCZHSYABZ-MLGOLLRUSA-N 1 0 314.360 2.987 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000279619380 427715501 /nfs/dbraw/zinc/71/55/01/427715501.db2.gz GPPNZEDMEUJZOL-VQIMIIECSA-N 1 0 318.461 2.913 20 10 DFCDRO CCO[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000194460439 427743848 /nfs/dbraw/zinc/74/38/48/427743848.db2.gz RTNYSATZAHSVQW-SFHVURJKSA-N 1 0 315.369 2.988 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1O ZINC000186088781 427746979 /nfs/dbraw/zinc/74/69/79/427746979.db2.gz KKHKBISWXWRNKK-OCCSQVGLSA-N 1 0 310.397 2.959 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000369618037 428018750 /nfs/dbraw/zinc/01/87/50/428018750.db2.gz UNIMAGPCVIJYQI-INIZCTEOSA-N 1 0 312.417 3.210 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cncn2)cc1 ZINC000359977066 428100523 /nfs/dbraw/zinc/10/05/23/428100523.db2.gz JHIBXZCKVDPAJZ-GOSISDBHSA-N 1 0 313.449 2.789 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000370728449 428286743 /nfs/dbraw/zinc/28/67/43/428286743.db2.gz AUNWIWUOVCJLDB-LLVKDONJSA-N 1 0 322.206 2.525 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1cc(Cl)ccc1O ZINC000371875824 428406539 /nfs/dbraw/zinc/40/65/39/428406539.db2.gz GOJOJMJPUKFGFV-AAEUAGOBSA-N 1 0 320.824 2.709 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[C@H]2N2CCOCC2)c1 ZINC000371868797 428407010 /nfs/dbraw/zinc/40/70/10/428407010.db2.gz CCNGNPCDWIPUKO-LZLYRXPVSA-N 1 0 318.461 2.852 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(c3nccc(C)n3)CC2)c1 ZINC000371889203 428408526 /nfs/dbraw/zinc/40/85/26/428408526.db2.gz WFYRGJCYGFOCHW-UHFFFAOYSA-N 1 0 313.401 2.879 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000372500507 428455184 /nfs/dbraw/zinc/45/51/84/428455184.db2.gz CFRAAXOQMJLJNF-GDBMZVCRSA-N 1 0 302.418 2.834 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@@H]3CN(C)Cc4ccccc43)ccc21 ZINC000372979261 428510999 /nfs/dbraw/zinc/51/09/99/428510999.db2.gz UCYCXMUUVTYKHV-LJQANCHMSA-N 1 0 307.441 2.955 20 10 DFCDRO CCc1nc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)no1 ZINC000361055785 428532390 /nfs/dbraw/zinc/53/23/90/428532390.db2.gz XFNNWPSZFURYLT-LLVKDONJSA-N 1 0 305.353 2.856 20 10 DFCDRO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2O)n1 ZINC000361050122 428532503 /nfs/dbraw/zinc/53/25/03/428532503.db2.gz FUJBLDRBVYJREO-INIZCTEOSA-N 1 0 318.396 2.794 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000373638012 428623727 /nfs/dbraw/zinc/62/37/27/428623727.db2.gz LUMSXLRAUXZKGJ-KDOFPFPSSA-N 1 0 321.417 2.561 20 10 DFCDRO COc1cccc([C@H]2C[C@H](O)C[N@@H+]2Cc2cc(F)ccc2O)c1 ZINC000374371026 428676545 /nfs/dbraw/zinc/67/65/45/428676545.db2.gz HWLGBHJMACDTGT-DOTOQJQBSA-N 1 0 317.360 2.848 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000374412916 428679463 /nfs/dbraw/zinc/67/94/63/428679463.db2.gz WGUKKCVFKJHYEM-CHWSQXEVSA-N 1 0 307.365 2.592 20 10 DFCDRO Cc1nc(CN2CCC[N@H+](Cc3ccccc3O)CC2)oc1C ZINC000374901796 428780485 /nfs/dbraw/zinc/78/04/85/428780485.db2.gz XDZJIODDIZZDRV-UHFFFAOYSA-N 1 0 315.417 2.705 20 10 DFCDRO O=C1C[C@@H]([NH2+]Cc2ccccc2O)CN1c1ccccc1Cl ZINC000363618011 428955872 /nfs/dbraw/zinc/95/58/72/428955872.db2.gz NGGSGOVVCNEWJG-CYBMUJFWSA-N 1 0 316.788 2.941 20 10 DFCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C2 ZINC000363854786 429000079 /nfs/dbraw/zinc/00/00/79/429000079.db2.gz ADVIEVZWWLQCIP-HZMBPMFUSA-N 1 0 301.365 2.838 20 10 DFCDRO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(F)ccc1O ZINC000363863131 429000481 /nfs/dbraw/zinc/00/04/81/429000481.db2.gz JZWRYUJSIVGAJV-LBPRGKRZSA-N 1 0 301.361 2.712 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c1 ZINC000363855813 429001094 /nfs/dbraw/zinc/00/10/94/429001094.db2.gz BEVMJDAMNJCZDP-ZDUSSCGKSA-N 1 0 324.384 2.832 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c1 ZINC000376520424 429128178 /nfs/dbraw/zinc/12/81/78/429128178.db2.gz KMXSTEVSEQIWNQ-CZUORRHYSA-N 1 0 315.417 2.618 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000363910104 429139334 /nfs/dbraw/zinc/13/93/34/429139334.db2.gz UGENOJRGMCGPKA-NEPJUHHUSA-N 1 0 311.809 2.913 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1OC ZINC000364478356 429210152 /nfs/dbraw/zinc/21/01/52/429210152.db2.gz USDTVOSZECKJOZ-OAHLLOKOSA-N 1 0 321.417 2.800 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000367307211 429617815 /nfs/dbraw/zinc/61/78/15/429617815.db2.gz FXCPKJSTDMKNQC-INIZCTEOSA-N 1 0 312.417 2.846 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](OC)C[C@H]1c1nc(C)no1 ZINC000367359679 429629772 /nfs/dbraw/zinc/62/97/72/429629772.db2.gz AOBHJNLDQDTSJN-CFVMTHIKSA-N 1 0 317.389 2.997 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c(O)c1C ZINC000367439160 429647786 /nfs/dbraw/zinc/64/77/86/429647786.db2.gz RXDCPNRGPWCYII-MJEQTWJJSA-N 1 0 302.418 2.717 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000367604896 429685850 /nfs/dbraw/zinc/68/58/50/429685850.db2.gz CCRNWUIHNILNIE-GOSISDBHSA-N 1 0 317.360 2.633 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1C ZINC000367669261 429696258 /nfs/dbraw/zinc/69/62/58/429696258.db2.gz RLVCVUHQEPZLJF-AWEZNQCLSA-N 1 0 312.417 2.761 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c(O)c1 ZINC000368136248 429794648 /nfs/dbraw/zinc/79/46/48/429794648.db2.gz UGDBREWEWAHEEB-HNNXBMFYSA-N 1 0 315.417 2.904 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)c1 ZINC000528001316 429833932 /nfs/dbraw/zinc/83/39/32/429833932.db2.gz OZPKNAATFOFUDG-BDJLRTHQSA-N 1 0 312.369 2.615 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)C[C@@H](O)C(C)C)CC2)cc1 ZINC000368399157 429843700 /nfs/dbraw/zinc/84/37/00/429843700.db2.gz WYSJITXGLQCKFE-GOSISDBHSA-N 1 0 306.450 2.613 20 10 DFCDRO COc1ccc(N2CCC[N@H+](Cc3ccnc(C)n3)CC2)cc1 ZINC000368445138 429851564 /nfs/dbraw/zinc/85/15/64/429851564.db2.gz FWSQAPVVJQVZBR-UHFFFAOYSA-N 1 0 312.417 2.506 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000368795011 429894478 /nfs/dbraw/zinc/89/44/78/429894478.db2.gz DHCCBGLNVYDVPH-FUHWJXTLSA-N 1 0 317.477 2.555 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)c(O)c1C ZINC000368852039 429898944 /nfs/dbraw/zinc/89/89/44/429898944.db2.gz CAOPURXIYQUBCG-CYBMUJFWSA-N 1 0 300.406 2.788 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1F ZINC000369377723 429934158 /nfs/dbraw/zinc/93/41/58/429934158.db2.gz MOSDUKNHFMMTDO-UHFFFAOYSA-N 1 0 314.404 2.511 20 10 DFCDRO COc1cccc([C@@H](C[NH2+]Cc2cc(OC)ccc2O)OC)c1 ZINC000529640593 430045896 /nfs/dbraw/zinc/04/58/96/430045896.db2.gz VUXLPFQSAUYTIP-GOSISDBHSA-N 1 0 317.385 2.887 20 10 DFCDRO CCOc1ccc(O)c(CNc2ccc3c(c2)OCC[NH2+]C3)c1 ZINC000530182650 430100803 /nfs/dbraw/zinc/10/08/03/430100803.db2.gz XOYKJGIBIVJHOC-UHFFFAOYSA-N 1 0 314.385 2.885 20 10 DFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CCO)c1O ZINC000187227215 280307801 /nfs/dbraw/zinc/30/78/01/280307801.db2.gz MBFGIFMBRAXOKH-UWVGGRQHSA-N 1 0 302.212 2.885 20 10 DFCDRO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000297791319 282009234 /nfs/dbraw/zinc/00/92/34/282009234.db2.gz PYLFXYULFBWDML-KRWDZBQOSA-N 1 0 324.424 2.914 20 10 DFCDRO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)ccc1N(C)C ZINC000294029188 301276374 /nfs/dbraw/zinc/27/63/74/301276374.db2.gz HXVHAIKWESBVEA-BXWFABGCSA-N 1 0 318.461 2.829 20 10 DFCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000102827168 332943255 /nfs/dbraw/zinc/94/32/55/332943255.db2.gz SUTWWDXQQDYDDV-OAHLLOKOSA-N 1 0 308.397 2.650 20 10 DFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2ccc(N)cc2)C1 ZINC000237508498 332368979 /nfs/dbraw/zinc/36/89/79/332368979.db2.gz KXXXSUGXGIDCOA-IYBDPMFKSA-N 1 0 317.477 2.686 20 10 DFCDRO COC[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293563371 335109153 /nfs/dbraw/zinc/10/91/53/335109153.db2.gz CYLQNARAWVORLC-FUHWJXTLSA-N 1 0 315.413 2.663 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1 ZINC000293773961 335113578 /nfs/dbraw/zinc/11/35/78/335113578.db2.gz YUVVECXWDBFWJR-KRWDZBQOSA-N 1 0 316.401 2.645 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc2ccccc2c1O ZINC000294300154 335120731 /nfs/dbraw/zinc/12/07/31/335120731.db2.gz NHQBUXSDHLRPLL-CFVMTHIKSA-N 1 0 301.386 2.736 20 10 DFCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cccc(OC)c1O ZINC000294692750 335125301 /nfs/dbraw/zinc/12/53/01/335125301.db2.gz BVOGDFZIUVINCN-LLVKDONJSA-N 1 0 307.312 2.848 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1O ZINC000294692970 335125328 /nfs/dbraw/zinc/12/53/28/335125328.db2.gz BWWZXHYGNSBFMQ-INIZCTEOSA-N 1 0 319.376 2.623 20 10 DFCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000185190035 333205222 /nfs/dbraw/zinc/20/52/22/333205222.db2.gz UCNZYXMKJHNQKY-HIFRSBDPSA-N 1 0 307.390 2.804 20 10 DFCDRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Cl)ccc1O ZINC000185449672 333208942 /nfs/dbraw/zinc/20/89/42/333208942.db2.gz UGNYQRRYVCFCSS-LBPRGKRZSA-N 1 0 312.841 2.807 20 10 DFCDRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cc2c(cc1O)CCCC2 ZINC000185639058 333211286 /nfs/dbraw/zinc/21/12/86/333211286.db2.gz PRZSGRKQLYNXRG-PXAZEXFGSA-N 1 0 307.459 2.790 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]CC[C@H](C)CCO)c1O ZINC000295209189 335130873 /nfs/dbraw/zinc/13/08/73/335130873.db2.gz ZULSCALYTLYUQV-JTQLQIEISA-N 1 0 316.239 2.961 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295202701 335131116 /nfs/dbraw/zinc/13/11/16/335131116.db2.gz YWGSBUVKSIACJH-CYBMUJFWSA-N 1 0 309.768 2.878 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](C)CC[C@H](C)O)cc2)CC1 ZINC000295123680 335132398 /nfs/dbraw/zinc/13/23/98/335132398.db2.gz XDNPPLSBXSYPGP-HNNXBMFYSA-N 1 0 306.450 2.505 20 10 DFCDRO CN(C)[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1cccs1 ZINC000063255935 333446858 /nfs/dbraw/zinc/44/68/58/333446858.db2.gz CWHPPLDZDIVPQE-LBPRGKRZSA-N 1 0 320.414 2.575 20 10 DFCDRO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000123881302 333475967 /nfs/dbraw/zinc/47/59/67/333475967.db2.gz FGRNRMKEQKGXBU-HNNXBMFYSA-N 1 0 305.466 2.514 20 10 DFCDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1Cc1ccccc1 ZINC000296964154 335150448 /nfs/dbraw/zinc/15/04/48/335150448.db2.gz RHQCJLJGXMDYMT-IAGOWNOFSA-N 1 0 322.408 2.770 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000271415980 334022821 /nfs/dbraw/zinc/02/28/21/334022821.db2.gz YNGVRDRXEDFFBO-CYBMUJFWSA-N 1 0 316.405 2.597 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCO[C@@H]2C(C)C)cc1OC ZINC000275630293 334072254 /nfs/dbraw/zinc/07/22/54/334072254.db2.gz SHPIKXWWVOUSOC-SJKOYZFVSA-N 1 0 309.406 2.560 20 10 DFCDRO COc1c([O-])c(C[NH2+]CCc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278928107 334103887 /nfs/dbraw/zinc/10/38/87/334103887.db2.gz VUDDJYUUTCFOQC-UHFFFAOYSA-N 1 0 320.320 2.780 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(N2CCCCC2)cc1 ZINC000282835869 334137560 /nfs/dbraw/zinc/13/75/60/334137560.db2.gz SLTZDURWIJXEML-CABCVRRESA-N 1 0 321.440 2.802 20 10 DFCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000296345126 334232519 /nfs/dbraw/zinc/23/25/19/334232519.db2.gz HZYJSRGOJMXYTI-HZMBPMFUSA-N 1 0 314.376 2.824 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c1O ZINC000366927045 335372726 /nfs/dbraw/zinc/37/27/26/335372726.db2.gz VKJVZOYVKPRWGS-DZGCQCFKSA-N 1 0 308.809 2.501 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)c1cc[nH+]cc1C(N)=O ZINC000302237393 336355826 /nfs/dbraw/zinc/35/58/26/336355826.db2.gz WFERQVNAJNEIEX-UHFFFAOYSA-N 1 0 324.428 2.807 20 10 DFCDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3O)C2)nc(C)n1 ZINC000360097003 336701719 /nfs/dbraw/zinc/70/17/19/336701719.db2.gz WIQHINFSVAJWPM-MRXNPFEDSA-N 1 0 312.417 2.558 20 10 DFCDRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2O)CC(=O)N1Cc1ccccc1 ZINC000368558920 336847660 /nfs/dbraw/zinc/84/76/60/336847660.db2.gz YURCMIZJCAJBDV-PBHICJAKSA-N 1 0 310.397 2.671 20 10 DFCDRO c1cn2c(n1)CC[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000368846867 336853897 /nfs/dbraw/zinc/85/38/97/336853897.db2.gz UFABAIZWVJRBEA-QGZVFWFLSA-N 1 0 310.445 2.978 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1ccccc1O ZINC000373459542 336961096 /nfs/dbraw/zinc/96/10/96/336961096.db2.gz MBAZGJGBRMWEQX-ZBFHGGJFSA-N 1 0 312.417 2.892 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000373599865 336966217 /nfs/dbraw/zinc/96/62/17/336966217.db2.gz ZWARHRYQFDWMJU-INIZCTEOSA-N 1 0 302.418 2.834 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCc2nnc(C)n2C1)c1ccc(C)cc1O ZINC000373853001 336974555 /nfs/dbraw/zinc/97/45/55/336974555.db2.gz WPFINXCKAFCLDO-HIFRSBDPSA-N 1 0 300.406 2.656 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(C)cc1O ZINC000374506245 336991021 /nfs/dbraw/zinc/99/10/21/336991021.db2.gz PPNXMAIYZTXOKX-ARFHVFGLSA-N 1 0 302.418 2.895 20 10 DFCDRO COc1cccc(C[NH2+]C[C@H]2Cc3ccccc3N(C)C2)c1O ZINC000375276307 337007095 /nfs/dbraw/zinc/00/70/95/337007095.db2.gz ROIFVBAAMJPMTF-CQSZACIVSA-N 1 0 312.413 2.799 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCC[C@H](O)C3)CC2)cc1 ZINC000305188713 337018091 /nfs/dbraw/zinc/01/80/91/337018091.db2.gz XSXRZDHZMVCYHT-YJBOKZPZSA-N 1 0 318.461 2.805 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000305228294 337020073 /nfs/dbraw/zinc/02/00/73/337020073.db2.gz PWQRFBCEORLMDR-KRWDZBQOSA-N 1 0 303.789 2.969 20 10 DFCDRO Oc1ccc(F)cc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000376503805 337035276 /nfs/dbraw/zinc/03/52/76/337035276.db2.gz DAJAXONNSUIZQO-ZDUSSCGKSA-N 1 0 309.381 2.549 20 10 DFCDRO CN1CC[C@@H](C[N@H+](C)Cc2ccccc2O)[C@@H]1c1cccnc1 ZINC000376681166 337039562 /nfs/dbraw/zinc/03/95/62/337039562.db2.gz PYOZPVKBBZNAHY-HKUYNNGSSA-N 1 0 311.429 2.912 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCCC[C@@H]3CO2)c(O)c1 ZINC000376894157 337043299 /nfs/dbraw/zinc/04/32/99/337043299.db2.gz RORXJHWZLGRMGA-ARFHVFGLSA-N 1 0 304.434 2.605 20 10 DFCDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000376940820 337043833 /nfs/dbraw/zinc/04/38/33/337043833.db2.gz KNIXGWYKOAEPED-CVEARBPZSA-N 1 0 321.417 2.552 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3c[nH]cn3)CC2)c1 ZINC000377231193 337048967 /nfs/dbraw/zinc/04/89/67/337048967.db2.gz IKMXCFHOEYWPIM-UHFFFAOYSA-N 1 0 301.390 2.894 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@](CO)(C(C)C)C2)c1O ZINC000377681976 337058248 /nfs/dbraw/zinc/05/82/48/337058248.db2.gz RSHHTFCEOIQUJW-KRWDZBQOSA-N 1 0 309.381 2.574 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000377704621 337059119 /nfs/dbraw/zinc/05/91/19/337059119.db2.gz RSMBWYPLLYZATI-HOTGVXAUSA-N 1 0 314.433 2.566 20 10 DFCDRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3O)CC2)no1 ZINC000179564002 337170298 /nfs/dbraw/zinc/17/02/98/337170298.db2.gz QUZSFYOVAFYIDR-UHFFFAOYSA-N 1 0 315.373 2.539 20 10 DFCDRO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)no1 ZINC000180048913 337173390 /nfs/dbraw/zinc/17/33/90/337173390.db2.gz PVQHNVPCHVLYRH-GFCCVEGCSA-N 1 0 305.353 2.677 20 10 DFCDRO CC(C)C[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000227439245 337205103 /nfs/dbraw/zinc/20/51/03/337205103.db2.gz JIGKYZJUSZGKHO-LBPRGKRZSA-N 1 0 302.212 2.651 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cc(F)ccc1O ZINC000185687960 337250121 /nfs/dbraw/zinc/25/01/21/337250121.db2.gz BUURUPJAOQDZKV-YPMHNXCESA-N 1 0 319.355 2.995 20 10 DFCDRO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185775688 337251252 /nfs/dbraw/zinc/25/12/52/337251252.db2.gz BOCNWAHSKZLNBY-OCCSQVGLSA-N 1 0 316.405 2.624 20 10 DFCDRO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(N2CCOCC2)cc1 ZINC000187067520 337261586 /nfs/dbraw/zinc/26/15/86/337261586.db2.gz UHQHRGCIUYIPTA-JEDBISTDSA-N 1 0 316.445 2.741 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000105904994 337386838 /nfs/dbraw/zinc/38/68/38/337386838.db2.gz LCXOMWRRFRUMAW-AWEZNQCLSA-N 1 0 318.808 2.594 20 10 DFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1C ZINC000527808859 337765482 /nfs/dbraw/zinc/76/54/82/337765482.db2.gz RIHQIUFUURFMOS-KRWDZBQOSA-N 1 0 310.397 2.926 20 10 DFCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000235464073 340660004 /nfs/dbraw/zinc/66/00/04/340660004.db2.gz MXQKDLCSFFCHIM-CYBMUJFWSA-N 1 0 307.438 2.755 20 10 DFCDRO CCOc1cccc(C[NH2+][C@H](C)c2nnc3ccccn32)c1O ZINC000236930466 340666436 /nfs/dbraw/zinc/66/64/36/340666436.db2.gz DXBIYBYDGGNJJK-GFCCVEGCSA-N 1 0 312.373 2.684 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000273419095 341635722 /nfs/dbraw/zinc/63/57/22/341635722.db2.gz RTYQTGIYXPZVFR-IAQYHMDHSA-N 1 0 301.390 2.863 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1O ZINC000124588088 518278526 /nfs/dbraw/zinc/27/85/26/518278526.db2.gz JJZVPZZNOIMQNH-BMIGLBTASA-N 1 0 310.825 2.630 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000129150974 518286221 /nfs/dbraw/zinc/28/62/21/518286221.db2.gz BZFXTLZLVUWSMC-CXAGYDPISA-N 1 0 320.408 2.650 20 10 DFCDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000268818641 519645854 /nfs/dbraw/zinc/64/58/54/519645854.db2.gz GHMRHIVKIITTIY-IGEOTXOUSA-N 1 0 303.450 2.851 20 10 DFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CC[NH+](C)CC1 ZINC000266198001 519655081 /nfs/dbraw/zinc/65/50/81/519655081.db2.gz YJGFVMSSPIYDAF-UHFFFAOYSA-N 1 0 317.477 2.831 20 10 DFCDRO CCCNC(=O)C1CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000179922983 519867156 /nfs/dbraw/zinc/86/71/56/519867156.db2.gz AWUPPAVDDPIWLM-UHFFFAOYSA-N 1 0 320.433 2.529 20 10 DFCDRO CCOCCOCC[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000191568214 519993760 /nfs/dbraw/zinc/99/37/60/519993760.db2.gz VCAAYTLLRRJNGV-UHFFFAOYSA-N 1 0 301.814 2.839 20 10 DFCDRO CCOCc1cc(C[NH2+][C@H]2CC[C@H](CO)CC2)ccc1OC ZINC000268278252 520189701 /nfs/dbraw/zinc/18/97/01/520189701.db2.gz QNGWXWPPEHWIFX-CZIWCDLHSA-N 1 0 307.434 2.872 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC)c(O)c1 ZINC000179894251 520347370 /nfs/dbraw/zinc/34/73/70/520347370.db2.gz ZEXWTCLMWHJWBH-CQSZACIVSA-N 1 0 307.390 2.709 20 10 DFCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1 ZINC000162625656 520892818 /nfs/dbraw/zinc/89/28/18/520892818.db2.gz GZYXPGDZEQBJOI-UHFFFAOYSA-N 1 0 317.477 2.833 20 10 DFCDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000126542257 521138263 /nfs/dbraw/zinc/13/82/63/521138263.db2.gz GHFPLFBFBVQABW-NVXWUHKLSA-N 1 0 303.450 2.804 20 10 DFCDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000126542481 521152447 /nfs/dbraw/zinc/15/24/47/521152447.db2.gz GHFPLFBFBVQABW-RDJZCZTQSA-N 1 0 303.450 2.804 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1O ZINC000157817056 521364510 /nfs/dbraw/zinc/36/45/10/521364510.db2.gz CCCADAHUWGHDQF-GOSISDBHSA-N 1 0 319.376 2.927 20 10 DFCDRO CCOc1cccc(C[NH2+]Cc2cccc(OC)c2O)c1O ZINC000265113830 521368878 /nfs/dbraw/zinc/36/88/78/521368878.db2.gz YFFAJWGRVIRMQD-UHFFFAOYSA-N 1 0 303.358 2.795 20 10 DFCDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000163460449 521644136 /nfs/dbraw/zinc/64/41/36/521644136.db2.gz FSUXYAVJGGYLFN-HNNXBMFYSA-N 1 0 324.490 2.762 20 10 DFCDRO CCC[NH+](CCC)CCCC(=O)NCc1ccc(O)c(O)c1 ZINC000182540281 521644178 /nfs/dbraw/zinc/64/41/78/521644178.db2.gz XOZAPFVXZINVOF-UHFFFAOYSA-N 1 0 308.422 2.616 20 10 DFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1 ZINC000157191866 521649738 /nfs/dbraw/zinc/64/97/38/521649738.db2.gz GBYRXNHFGKETBA-MRXNPFEDSA-N 1 0 303.450 2.620 20 10 DFCDRO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000188509502 521651772 /nfs/dbraw/zinc/65/17/72/521651772.db2.gz SPJRGRVWJWQNOJ-UHFFFAOYSA-N 1 0 320.481 2.626 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2)cc1F ZINC000265244949 522212979 /nfs/dbraw/zinc/21/29/79/522212979.db2.gz MMZPLODUXCVSNR-MRXNPFEDSA-N 1 0 306.356 2.854 20 10 DFCDRO COC(=O)c1ccccc1OCC[N@H+](C)Cc1ccccc1O ZINC000182334489 522287204 /nfs/dbraw/zinc/28/72/04/522287204.db2.gz INDXQSXPILQAAL-UHFFFAOYSA-N 1 0 315.369 2.690 20 10 DFCDRO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269015761 522677621 /nfs/dbraw/zinc/67/76/21/522677621.db2.gz ODNUYPBRIWRLOT-RDJZCZTQSA-N 1 0 306.450 2.725 20 10 DFCDRO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(F)ccc1O ZINC000180212399 523275501 /nfs/dbraw/zinc/27/55/01/523275501.db2.gz MTHZNLWRAVQFRO-NRFANRHFSA-N 1 0 307.390 2.901 20 10 DFCDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000190432512 523563062 /nfs/dbraw/zinc/56/30/62/523563062.db2.gz MTIQBAIWCIBEON-HOCLYGCPSA-N 1 0 319.380 2.758 20 10 DFCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000191694728 523899398 /nfs/dbraw/zinc/89/93/98/523899398.db2.gz YRBKGAWKHPHYFH-VHSXEESVSA-N 1 0 302.212 2.976 20 10 DFCDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000188825113 524032722 /nfs/dbraw/zinc/03/27/22/524032722.db2.gz OQXLTQNVVRPSLU-LJQANCHMSA-N 1 0 318.461 2.914 20 10 DFCDRO COc1ccc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1C ZINC000365660465 524084587 /nfs/dbraw/zinc/08/45/87/524084587.db2.gz GFEHBEDQQWYRDD-MSOLQXFVSA-N 1 0 319.445 2.803 20 10 DFCDRO COc1cccc([C@H](O)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000265001151 524165996 /nfs/dbraw/zinc/16/59/96/524165996.db2.gz ZRZIOMVNPJJNFE-MRXNPFEDSA-N 1 0 307.777 2.877 20 10 DFCDRO C[C@H](CCNC(=O)N(C)Cc1ccccc1O)[NH+]1CCCCC1 ZINC000182708136 524180890 /nfs/dbraw/zinc/18/08/90/524180890.db2.gz BSSFYUGEENAONQ-OAHLLOKOSA-N 1 0 319.449 2.798 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000366358959 524216960 /nfs/dbraw/zinc/21/69/60/524216960.db2.gz UIFQMJBNBUANAL-MJGOQNOKSA-N 1 0 323.440 2.918 20 10 DFCDRO Cc1cccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)c1O ZINC000367720455 524399766 /nfs/dbraw/zinc/39/97/66/524399766.db2.gz LQBFBKUKHADLTB-UHFFFAOYSA-N 1 0 301.365 2.557 20 10 DFCDRO COc1ccc(N2CC[NH+](C[C@H]3CC[C@@H](C)O3)CC2)cc1F ZINC000190671939 524426358 /nfs/dbraw/zinc/42/63/58/524426358.db2.gz YEOXMFLDUHOIGK-UKRRQHHQSA-N 1 0 308.397 2.524 20 10 DFCDRO COc1ccc(N2CC[NH+](C[C@@H]3CC[C@H](C)O3)CC2)cc1F ZINC000190671993 524426451 /nfs/dbraw/zinc/42/64/51/524426451.db2.gz YEOXMFLDUHOIGK-ZFWWWQNUSA-N 1 0 308.397 2.524 20 10 DFCDRO Cc1cccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1O ZINC000158107811 524433066 /nfs/dbraw/zinc/43/30/66/524433066.db2.gz MZDPUVSAQWAHDF-LBPRGKRZSA-N 1 0 302.340 2.674 20 10 DFCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000180218286 524733564 /nfs/dbraw/zinc/73/35/64/524733564.db2.gz OAVWFQIURGWYKZ-GFCCVEGCSA-N 1 0 324.421 2.746 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(Nc3cccnn3)CC2)cc1C ZINC000156469245 525314946 /nfs/dbraw/zinc/31/49/46/525314946.db2.gz URWRUEOEPXGODW-UHFFFAOYSA-N 1 0 312.417 2.876 20 10 DFCDRO C[C@H]([NH2+]CCCOCCO)c1ccc(N2CCCCC2)cc1 ZINC000180242988 525340944 /nfs/dbraw/zinc/34/09/44/525340944.db2.gz LGGFVTBYYQZGDT-INIZCTEOSA-N 1 0 306.450 2.727 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000264972516 525349156 /nfs/dbraw/zinc/34/91/56/525349156.db2.gz RBXXSBUVNBNIAM-HNNXBMFYSA-N 1 0 303.377 2.781 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000156451247 525414309 /nfs/dbraw/zinc/41/43/09/525414309.db2.gz GLINZNJRGXWMTP-GOEBONIOSA-N 1 0 322.424 2.882 20 10 DFCDRO COc1cccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC000181923704 525948750 /nfs/dbraw/zinc/94/87/50/525948750.db2.gz LPVZRJQLNBNGBV-KRWDZBQOSA-N 1 0 313.397 2.844 20 10 DFCDRO Oc1cccc(Cl)c1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000130364447 526362874 /nfs/dbraw/zinc/36/28/74/526362874.db2.gz QQPZEFWTUHFQSA-CYBMUJFWSA-N 1 0 324.852 2.636 20 10 DFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000158111094 527025350 /nfs/dbraw/zinc/02/53/50/527025350.db2.gz UXIYZPIZDBYOBR-HNNXBMFYSA-N 1 0 322.836 2.926 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@]12CCCO2 ZINC000272690521 535411808 /nfs/dbraw/zinc/41/18/08/535411808.db2.gz PIWXJNNKTFMECV-KURKYZTESA-N 1 0 304.434 2.569 20 10 DFCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2O)C[C@@H]1C ZINC000289450153 535554776 /nfs/dbraw/zinc/55/47/76/535554776.db2.gz NCPDANJGYYEPCM-NWANDNLSSA-N 1 0 321.417 2.858 20 10 DFCDRO CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccccc1O ZINC000274921012 535930547 /nfs/dbraw/zinc/93/05/47/535930547.db2.gz PBKFNYUHIKNPGJ-HHXXYDBFSA-N 1 0 315.413 2.918 20 10 DFCDRO CN1CCCc2cc(CNC(=O)c3ccc4c[nH+]cn4c3)ccc21 ZINC000283894794 536396347 /nfs/dbraw/zinc/39/63/47/536396347.db2.gz KERDALALFNLORW-UHFFFAOYSA-N 1 0 320.396 2.647 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000273391975 536793088 /nfs/dbraw/zinc/79/30/88/536793088.db2.gz LAJQLBRXPJCBLC-KBPBESRZSA-N 1 0 320.433 2.561 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(-c2nn[nH]n2)c1 ZINC000820433561 599393174 /nfs/dbraw/zinc/39/31/74/599393174.db2.gz ZGSIZSHXNOYFFV-GFCCVEGCSA-N 1 0 321.384 2.652 20 10 DFCDRO CC[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1O ZINC000825139383 608522122 /nfs/dbraw/zinc/52/21/22/608522122.db2.gz FPIALXSKTXQCLY-OAHLLOKOSA-N 1 0 309.373 2.813 20 10 DFCDRO CNC(=O)CC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000074723745 185013003 /nfs/dbraw/zinc/01/30/03/185013003.db2.gz VNARDIDGJOOKHM-UHFFFAOYSA-N 1 0 312.413 2.894 20 10 DFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092707917 185335546 /nfs/dbraw/zinc/33/55/46/185335546.db2.gz FIVBMYBTIOVKAW-OAHLLOKOSA-N 1 0 304.434 2.829 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000092810544 185343059 /nfs/dbraw/zinc/34/30/59/185343059.db2.gz YHTGTVVACHKQRY-UHFFFAOYSA-N 1 0 315.417 2.904 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(CO)CCOCC2)cc1 ZINC000090663425 398491045 /nfs/dbraw/zinc/49/10/45/398491045.db2.gz MNHLVENYGUHUDS-HNNXBMFYSA-N 1 0 306.450 2.582 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1C ZINC000093362785 398634299 /nfs/dbraw/zinc/63/42/99/398634299.db2.gz DJJQQPJZSQOCFB-KRWDZBQOSA-N 1 0 316.445 2.986 20 10 DFCDRO COC(=O)CCC[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000072801158 398637956 /nfs/dbraw/zinc/63/79/56/398637956.db2.gz FTTARJOUOPIZKV-UHFFFAOYSA-N 1 0 320.433 2.549 20 10 DFCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093898997 398650288 /nfs/dbraw/zinc/65/02/88/398650288.db2.gz NILRZWRTBPENHP-AWEZNQCLSA-N 1 0 312.413 2.873 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cc2c(cc1O)CCCC2 ZINC000282455983 299359971 /nfs/dbraw/zinc/35/99/71/299359971.db2.gz VIGFOSPLNMCGKY-MQIPJXDCSA-N 1 0 302.418 2.589 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Br)ccc1O ZINC000184850401 296133506 /nfs/dbraw/zinc/13/35/06/296133506.db2.gz QIAYRNHBZVGAAE-MWLCHTKSSA-N 1 0 300.196 2.984 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000093413519 193245322 /nfs/dbraw/zinc/24/53/22/193245322.db2.gz ZIOBTVHAKZGYRI-INIZCTEOSA-N 1 0 311.429 2.974 20 10 DFCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000093415236 193246837 /nfs/dbraw/zinc/24/68/37/193246837.db2.gz FANNISBHTKCQQS-LJQANCHMSA-N 1 0 314.429 2.927 20 10 DFCDRO COc1cccc(C[NH2+]C[C@H](c2cccs2)N(C)C)c1O ZINC000019997119 182175290 /nfs/dbraw/zinc/17/52/90/182175290.db2.gz CHJYDVZWZRDRJL-CYBMUJFWSA-N 1 0 306.431 2.855 20 10 DFCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000105275050 194091468 /nfs/dbraw/zinc/09/14/68/194091468.db2.gz OIVUZABFUUTZMH-OAHLLOKOSA-N 1 0 319.449 2.654 20 10 DFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC(C)C)cc2F)CC1 ZINC000106702215 194244640 /nfs/dbraw/zinc/24/46/40/194244640.db2.gz WDMOHJBAOJNBLI-UHFFFAOYSA-N 1 0 321.440 2.630 20 10 DFCDRO COCC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)c1ccco1 ZINC000272545660 130040098 /nfs/dbraw/zinc/04/00/98/130040098.db2.gz QBDWSKKXHTZZOF-ZDUSSCGKSA-N 1 0 321.373 2.870 20 10 DFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000273157958 130093444 /nfs/dbraw/zinc/09/34/44/130093444.db2.gz BEXVDTFDTRBMQN-ZDUSSCGKSA-N 1 0 319.449 2.645 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c(O)c1 ZINC000273424167 130120425 /nfs/dbraw/zinc/12/04/25/130120425.db2.gz SYOHXRJGFFISJK-CQSZACIVSA-N 1 0 319.426 2.825 20 10 DFCDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000273500277 130128959 /nfs/dbraw/zinc/12/89/59/130128959.db2.gz YPSVFEWJKJGJID-LLVKDONJSA-N 1 0 300.406 2.591 20 10 DFCDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc2ccccc2c1O ZINC000273515001 130131091 /nfs/dbraw/zinc/13/10/91/130131091.db2.gz SJQYMXAAXDXSTK-SCLBCKFNSA-N 1 0 315.413 2.984 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H](OCC)[C@]23CCCO3)c1O ZINC000273561888 130137536 /nfs/dbraw/zinc/13/75/36/130137536.db2.gz FAUVUZXPPRAWNI-RYRKJORJSA-N 1 0 321.417 2.607 20 10 DFCDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615822 130145121 /nfs/dbraw/zinc/14/51/21/130145121.db2.gz XJDYUUILLKJOBV-NXEZZACHSA-N 1 0 304.350 2.754 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1O ZINC000273811698 130171001 /nfs/dbraw/zinc/17/10/01/130171001.db2.gz ZBFFALUOLZZEOT-LBPRGKRZSA-N 1 0 307.781 2.945 20 10 DFCDRO CN(C)c1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1F ZINC000274215984 130218990 /nfs/dbraw/zinc/21/89/90/130218990.db2.gz APGFXROTBUWNIY-UHFFFAOYSA-N 1 0 320.437 2.526 20 10 DFCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000278874643 130723774 /nfs/dbraw/zinc/72/37/74/130723774.db2.gz SATGJPRMLDLALD-BXWFABGCSA-N 1 0 318.461 2.867 20 10 DFCDRO Cc1cc(Cl)nc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000281921215 130892464 /nfs/dbraw/zinc/89/24/64/130892464.db2.gz GUJLFESOZCFLQQ-UHFFFAOYSA-N 1 0 306.749 2.768 20 10 DFCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000283671832 131012372 /nfs/dbraw/zinc/01/23/72/131012372.db2.gz GGTOKQNNVZJCCD-INIZCTEOSA-N 1 0 319.449 2.798 20 10 DFCDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000284402557 131076979 /nfs/dbraw/zinc/07/69/79/131076979.db2.gz PTPVNARGGRMEMY-QRTARXTBSA-N 1 0 308.466 2.561 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c(O)c1 ZINC000284966632 131127247 /nfs/dbraw/zinc/12/72/47/131127247.db2.gz FQPCWQJVBBPNJE-CYBMUJFWSA-N 1 0 311.447 2.627 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000286820118 131251223 /nfs/dbraw/zinc/25/12/23/131251223.db2.gz KIJBQRGQLLBCIA-PXAZEXFGSA-N 1 0 320.408 2.793 20 10 DFCDRO C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000286980311 131259105 /nfs/dbraw/zinc/25/91/05/131259105.db2.gz IZNPKCULWRPNOH-CQSZACIVSA-N 1 0 320.408 2.660 20 10 DFCDRO CN(C)c1ccccc1C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000288622713 131333469 /nfs/dbraw/zinc/33/34/69/131333469.db2.gz OOFNOFMBAYQJLN-UHFFFAOYSA-N 1 0 314.385 2.819 20 10 DFCDRO CN(C)c1ccc(C[N@H+]2CC=C(c3ccnn3C)CC2)cc1F ZINC000289361798 131378998 /nfs/dbraw/zinc/37/89/98/131378998.db2.gz KMYFHXSOUQVJDU-UHFFFAOYSA-N 1 0 314.408 2.915 20 10 DFCDRO COCCC[N@H+](Cc1ccncc1)Cc1cc(F)ccc1O ZINC000289469139 131388630 /nfs/dbraw/zinc/38/86/30/131388630.db2.gz PHUZMWZESLWEIJ-UHFFFAOYSA-N 1 0 304.365 2.965 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289520878 131392879 /nfs/dbraw/zinc/39/28/79/131392879.db2.gz HBOFSNLOBSRWPH-CYBMUJFWSA-N 1 0 307.287 2.811 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]2CCC(=O)NC)c1O ZINC000289597037 131399421 /nfs/dbraw/zinc/39/94/21/131399421.db2.gz KSBIRXSFJSBLNV-HNNXBMFYSA-N 1 0 320.433 2.672 20 10 DFCDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1O)c1cccs1 ZINC000299536818 132109861 /nfs/dbraw/zinc/10/98/61/132109861.db2.gz UJNLOGFVNJEUSH-ZDUSSCGKSA-N 1 0 319.430 2.556 20 10 DFCDRO CC[C@@H](C)N(C)CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000230934334 542893343 /nfs/dbraw/zinc/89/33/43/542893343.db2.gz IHOIGBPZHNSJIM-LLVKDONJSA-N 1 0 300.830 2.874 20 10 DFCDRO OC[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccc(F)cc1 ZINC000299161478 228971983 /nfs/dbraw/zinc/97/19/83/228971983.db2.gz LENJRLUDLFGZOC-MRXNPFEDSA-N 1 0 315.388 2.701 20 10 DFCDRO Cc1cc(Br)cc(CN2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000124605090 425929108 /nfs/dbraw/zinc/92/91/08/425929108.db2.gz YCTQACVDIFBCNV-BETUJISGSA-N 1 0 312.207 2.826 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000109848602 426033208 /nfs/dbraw/zinc/03/32/08/426033208.db2.gz ZKRYZLUUKIFAJL-MRXNPFEDSA-N 1 0 311.429 2.776 20 10 DFCDRO Cc1ccccc1CN(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235134 426038900 /nfs/dbraw/zinc/03/89/00/426038900.db2.gz WVXSOEBNOAQUMK-UHFFFAOYSA-N 1 0 312.413 2.791 20 10 DFCDRO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235795 426039965 /nfs/dbraw/zinc/03/99/65/426039965.db2.gz KWUCXQXLISVCIH-HOCLYGCPSA-N 1 0 304.434 2.861 20 10 DFCDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000171415017 426189535 /nfs/dbraw/zinc/18/95/35/426189535.db2.gz QBZGMDHTYLTUDC-YOEHRIQHSA-N 1 0 303.450 2.537 20 10 DFCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2ccc(N(C)C)cc2)c(C)o1 ZINC000174441706 426256945 /nfs/dbraw/zinc/25/69/45/426256945.db2.gz MWIAEAFXZNFDHV-GOSISDBHSA-N 1 0 302.418 2.960 20 10 DFCDRO CCc1ccc([C@@H](COC)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000174476848 426258071 /nfs/dbraw/zinc/25/80/71/426258071.db2.gz CQQCGQWFYAQFJP-CQSZACIVSA-N 1 0 320.345 2.933 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000151295654 426288249 /nfs/dbraw/zinc/28/82/49/426288249.db2.gz PPOJMIQTLCGMOT-MOPGFXCFSA-N 1 0 319.493 2.640 20 10 DFCDRO CCCOC(=O)[C@@H](C)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000119489284 426292526 /nfs/dbraw/zinc/29/25/26/426292526.db2.gz GWMVNUSOJIADJO-ZBFHGGJFSA-N 1 0 321.417 2.715 20 10 DFCDRO COc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000151451811 426296433 /nfs/dbraw/zinc/29/64/33/426296433.db2.gz MSUQQTGWNXIDGD-BBRMVZONSA-N 1 0 309.431 2.545 20 10 DFCDRO CCC[N@H+](CCCS(=O)(=O)C(C)C)Cc1ccccc1O ZINC000119742782 426302848 /nfs/dbraw/zinc/30/28/48/426302848.db2.gz ANDSGYPCVWYGBJ-UHFFFAOYSA-N 1 0 313.463 2.818 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000089728992 426304573 /nfs/dbraw/zinc/30/45/73/426304573.db2.gz XGQSWJBZYWGSFF-IAGOWNOFSA-N 1 0 303.450 2.803 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1[O-] ZINC000175582854 426314822 /nfs/dbraw/zinc/31/48/22/426314822.db2.gz OLEDDVIOZDAJET-LBPRGKRZSA-N 1 0 307.365 2.735 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)cc1C ZINC000151990426 426321158 /nfs/dbraw/zinc/32/11/58/426321158.db2.gz NCPPSGHDJMLXHR-INIZCTEOSA-N 1 0 318.461 2.694 20 10 DFCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COCc1ccccc1F ZINC000121140730 426322509 /nfs/dbraw/zinc/32/25/09/426322509.db2.gz YXCYCAUSPVBNEM-INIZCTEOSA-N 1 0 319.376 2.541 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000092075254 426346300 /nfs/dbraw/zinc/34/63/00/426346300.db2.gz GKZLLSSBTAZHQM-IBGZPJMESA-N 1 0 323.440 2.816 20 10 DFCDRO COc1cccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1O ZINC000092662183 426351409 /nfs/dbraw/zinc/35/14/09/426351409.db2.gz GUJZSSQALVKJEJ-MRXNPFEDSA-N 1 0 321.417 2.561 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC000093612056 426358711 /nfs/dbraw/zinc/35/87/11/426358711.db2.gz DVXVWWRBELJHMY-CQSZACIVSA-N 1 0 319.323 2.680 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1F ZINC000122562628 426381190 /nfs/dbraw/zinc/38/11/90/426381190.db2.gz QRKOJUDEFUNIKB-UHFFFAOYSA-N 1 0 302.397 2.925 20 10 DFCDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1O ZINC000154011494 426418950 /nfs/dbraw/zinc/41/89/50/426418950.db2.gz ODEBMCUCQOHDRR-ZDUSSCGKSA-N 1 0 314.385 2.941 20 10 DFCDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1O ZINC000154017358 426420423 /nfs/dbraw/zinc/42/04/23/426420423.db2.gz RIUBBCGYKWNCQL-ZDUSSCGKSA-N 1 0 314.385 2.941 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000123380847 426429389 /nfs/dbraw/zinc/42/93/89/426429389.db2.gz VQQDVCGCLFRTQI-CRAIPNDOSA-N 1 0 305.466 2.514 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000154691615 426451255 /nfs/dbraw/zinc/45/12/55/426451255.db2.gz UZDSSKHYLFXWAR-IERDGZPVSA-N 1 0 303.427 2.910 20 10 DFCDRO Cc1nc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)cs1 ZINC000123958516 426463110 /nfs/dbraw/zinc/46/31/10/426463110.db2.gz GTHQQULMUOTEGR-UHFFFAOYSA-N 1 0 317.458 2.783 20 10 DFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(F)cc(C(C)=O)c1O ZINC000177332375 426468406 /nfs/dbraw/zinc/46/84/06/426468406.db2.gz UNCANMALLKPWKQ-CVEARBPZSA-N 1 0 320.408 2.793 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cnn(C)c1 ZINC000155313452 426468417 /nfs/dbraw/zinc/46/84/17/426468417.db2.gz CRGVHCUKJXRJHK-LSDHHAIUSA-N 1 0 314.433 2.669 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000155360679 426469972 /nfs/dbraw/zinc/46/99/72/426469972.db2.gz FGVRRNGNUYPGIA-CVEARBPZSA-N 1 0 318.461 2.989 20 10 DFCDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280151412 426507003 /nfs/dbraw/zinc/50/70/03/426507003.db2.gz FHGPOSMFRVFENO-NEPJUHHUSA-N 1 0 316.367 2.974 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1F ZINC000280257986 426532856 /nfs/dbraw/zinc/53/28/56/426532856.db2.gz LQEGQMQJSSXFOT-SFHVURJKSA-N 1 0 322.424 2.662 20 10 DFCDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186498170 426539781 /nfs/dbraw/zinc/53/97/81/426539781.db2.gz NZICAOLYHPCDLG-WVSRPDOZSA-N 1 0 322.424 2.640 20 10 DFCDRO Nc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000195139428 426502450 /nfs/dbraw/zinc/50/24/50/426502450.db2.gz LLVHVEONCJACDM-UHFFFAOYSA-N 1 0 323.440 2.724 20 10 DFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)O)c1O ZINC000187190474 426635818 /nfs/dbraw/zinc/63/58/18/426635818.db2.gz MSLDGERUSYWTNM-VIFPVBQESA-N 1 0 302.212 2.885 20 10 DFCDRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000230166565 426645986 /nfs/dbraw/zinc/64/59/86/426645986.db2.gz DGNAUUFRFHWZTN-ZDUSSCGKSA-N 1 0 306.406 2.739 20 10 DFCDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cc(OC)ccc1O)C(C)C ZINC000187705885 426686725 /nfs/dbraw/zinc/68/67/25/426686725.db2.gz GDXQZOHXQGSZLO-QGZVFWFLSA-N 1 0 309.406 2.858 20 10 DFCDRO CC(C)[C@@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC000236682593 426674311 /nfs/dbraw/zinc/67/43/11/426674311.db2.gz PEROMUMLJUQSCL-GOSISDBHSA-N 1 0 317.477 2.684 20 10 DFCDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(O)c1O)c1ccco1 ZINC000187033869 426622592 /nfs/dbraw/zinc/62/25/92/426622592.db2.gz LUBHPYUJAHLSCM-ZDUSSCGKSA-N 1 0 318.373 2.504 20 10 DFCDRO CC[C@H](C[NH2+]Cc1cc(OC)ccc1O)NC(=O)OC(C)(C)C ZINC000227720694 426629979 /nfs/dbraw/zinc/62/99/79/426629979.db2.gz NYJLXSDTYHOWIK-CYBMUJFWSA-N 1 0 324.421 2.794 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000290161393 426707537 /nfs/dbraw/zinc/70/75/37/426707537.db2.gz LXKQEWJLMLORBZ-KZULUSFZSA-N 1 0 317.385 2.621 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000290093058 426692468 /nfs/dbraw/zinc/69/24/68/426692468.db2.gz HCSZYOHBYZKZEH-AWEZNQCLSA-N 1 0 303.333 2.633 20 10 DFCDRO Nc1ccc(CC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000237887536 426696669 /nfs/dbraw/zinc/69/66/69/426696669.db2.gz SLTUTIZEIBPYOF-UHFFFAOYSA-N 1 0 323.440 2.546 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)cc1 ZINC000280975763 426698407 /nfs/dbraw/zinc/69/84/07/426698407.db2.gz LPINNOVKXSYDBV-AWEZNQCLSA-N 1 0 324.490 2.761 20 10 DFCDRO COc1cc(Cl)cc(C[N@H+](C)CCCn2ccnc2)c1O ZINC000290512891 426782063 /nfs/dbraw/zinc/78/20/63/426782063.db2.gz PRHCRMYYIPGKJR-UHFFFAOYSA-N 1 0 309.797 2.773 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281764725 426760766 /nfs/dbraw/zinc/76/07/66/426760766.db2.gz LSWZSKQTDORETA-HOTGVXAUSA-N 1 0 305.324 2.978 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cnn(CCOC)c2)cc1 ZINC000282475222 426915825 /nfs/dbraw/zinc/91/58/25/426915825.db2.gz GUYONSBBPUQDPX-OAHLLOKOSA-N 1 0 316.449 2.836 20 10 DFCDRO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(=O)NCCF ZINC000282650473 426920254 /nfs/dbraw/zinc/92/02/54/426920254.db2.gz LBFWLNWOSKABCZ-ZDUSSCGKSA-N 1 0 316.376 2.623 20 10 DFCDRO COc1cc(Cl)cc(CNCc2ncnn2C(C)(C)C)c1O ZINC000282745050 426926508 /nfs/dbraw/zinc/92/65/08/426926508.db2.gz NOJPABUAVFEVRO-UHFFFAOYSA-N 1 0 324.812 2.691 20 10 DFCDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(N(C)C)cc3)[C@@H]2C1 ZINC000247289450 426923941 /nfs/dbraw/zinc/92/39/41/426923941.db2.gz ZAXUPRYQGZNJCV-KURKYZTESA-N 1 0 304.434 2.521 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(O)c1 ZINC000247287881 426924921 /nfs/dbraw/zinc/92/49/21/426924921.db2.gz YYUTVSIOUWCEPO-QZTJIDSGSA-N 1 0 321.417 2.561 20 10 DFCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1[C@@H]1CCCO1 ZINC000291001078 426872072 /nfs/dbraw/zinc/87/20/72/426872072.db2.gz AVKRFDLPXCENDD-BBRMVZONSA-N 1 0 305.374 2.510 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(O)c1 ZINC000246856660 426872192 /nfs/dbraw/zinc/87/21/92/426872192.db2.gz SHPRJXDXHHDWQA-WBVHZDCISA-N 1 0 323.458 2.887 20 10 DFCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291189844 426880995 /nfs/dbraw/zinc/88/09/95/426880995.db2.gz GMEDHWKJRGRYBK-ZDUSSCGKSA-N 1 0 322.206 2.798 20 10 DFCDRO COc1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1C ZINC000282329846 426884053 /nfs/dbraw/zinc/88/40/53/426884053.db2.gz LNZMJMRUPIGLIG-IBGZPJMESA-N 1 0 313.397 2.764 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)cc1OC ZINC000291463194 426888243 /nfs/dbraw/zinc/88/82/43/426888243.db2.gz DHPQJPHHKFCKCS-JTQLQIEISA-N 1 0 301.333 2.887 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c(O)c1 ZINC000319803971 426964822 /nfs/dbraw/zinc/96/48/22/426964822.db2.gz HUSZMLBAVPSPCA-XJKSGUPXSA-N 1 0 315.417 2.618 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@H](C)[C@@H]3CCOC3)cc2)CC1 ZINC000295856474 427019153 /nfs/dbraw/zinc/01/91/53/427019153.db2.gz XWUKWNXRLRAYNE-NVXWUHKLSA-N 1 0 318.461 2.816 20 10 DFCDRO Cc1ccc(C(=O)NCC[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296006848 427043630 /nfs/dbraw/zinc/04/36/30/427043630.db2.gz ORJVCGUVEHNVMF-INIZCTEOSA-N 1 0 310.397 2.708 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)c1O ZINC000248815534 427044906 /nfs/dbraw/zinc/04/49/06/427044906.db2.gz IIZYAVGGWSQRRI-NOLJZWGESA-N 1 0 319.401 2.564 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1O ZINC000292177447 427122079 /nfs/dbraw/zinc/12/20/79/427122079.db2.gz QCODZWBBMKEZRF-OAHLLOKOSA-N 1 0 321.392 2.982 20 10 DFCDRO CC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000268830087 427132904 /nfs/dbraw/zinc/13/29/04/427132904.db2.gz KDTJGSNWSXSADO-LJQANCHMSA-N 1 0 319.493 2.640 20 10 DFCDRO CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268866365 427133593 /nfs/dbraw/zinc/13/35/93/427133593.db2.gz SVIIILSHRNGKMK-KGLIPLIRSA-N 1 0 310.413 2.738 20 10 DFCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268837703 427135029 /nfs/dbraw/zinc/13/50/29/427135029.db2.gz HBXOQFAGQATOQC-LJISPDSOSA-N 1 0 324.440 2.952 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCN(CCOC)C1)c1ccc(N(C)C)cc1 ZINC000268941353 427136828 /nfs/dbraw/zinc/13/68/28/427136828.db2.gz STMCDHDRTLZLCZ-SJLPKXTDSA-N 1 0 305.466 2.514 20 10 DFCDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268925611 427136852 /nfs/dbraw/zinc/13/68/52/427136852.db2.gz XXGGPNJUTNCDHD-KSSFIOAISA-N 1 0 324.440 2.864 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249985717 427153652 /nfs/dbraw/zinc/15/36/52/427153652.db2.gz ZDEHUJCXSAKBMO-SCRDCRAPSA-N 1 0 312.207 2.812 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H]2C)c1O ZINC000292773253 427198460 /nfs/dbraw/zinc/19/84/60/427198460.db2.gz KQPWKEWGTDPDLW-BXKDBHETSA-N 1 0 300.196 2.730 20 10 DFCDRO Cc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1N(C)C ZINC000292829386 427201379 /nfs/dbraw/zinc/20/13/79/427201379.db2.gz OPWBRTPGTRHMIR-DLBZAZTESA-N 1 0 306.475 2.767 20 10 DFCDRO COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183519549 427284558 /nfs/dbraw/zinc/28/45/58/427284558.db2.gz WRULNFFDCJIWOS-XIKOKIGWSA-N 1 0 317.385 2.794 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c1O ZINC000296789873 427236279 /nfs/dbraw/zinc/23/62/79/427236279.db2.gz SRJFBDKLVIOJNC-GFCCVEGCSA-N 1 0 320.408 2.650 20 10 DFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccccc1O ZINC000183498023 427281702 /nfs/dbraw/zinc/28/17/02/427281702.db2.gz FFZJNQZDQCDMEF-RYUDHWBXSA-N 1 0 323.339 2.761 20 10 DFCDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1O ZINC000183505452 427282000 /nfs/dbraw/zinc/28/20/00/427282000.db2.gz XWSPJOIJJGJACP-PBHICJAKSA-N 1 0 312.413 2.742 20 10 DFCDRO COc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cc1C ZINC000269897724 427301315 /nfs/dbraw/zinc/30/13/15/427301315.db2.gz DYLZQFGYLPUNNU-QZTJIDSGSA-N 1 0 315.413 2.578 20 10 DFCDRO Cc1cc(O)c(C[NH2+]C2CCN(c3cccnn3)CC2)cc1C ZINC000277781114 427315449 /nfs/dbraw/zinc/31/54/49/427315449.db2.gz ZDSYSMIYYQDCIN-UHFFFAOYSA-N 1 0 312.417 2.558 20 10 DFCDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(C)ccc3O)C2)n(C)n1 ZINC000277695593 427288557 /nfs/dbraw/zinc/28/85/57/427288557.db2.gz KYXPOZUQEAKLEU-INIZCTEOSA-N 1 0 314.433 2.501 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1NC(=O)OC(C)(C)C ZINC000278132375 427412847 /nfs/dbraw/zinc/41/28/47/427412847.db2.gz CIPDADJDNMCJNT-BXUZGUMPSA-N 1 0 324.396 2.876 20 10 DFCDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000278779722 427449680 /nfs/dbraw/zinc/44/96/80/427449680.db2.gz VKJJSQXRZXPJDI-QGZVFWFLSA-N 1 0 309.406 2.536 20 10 DFCDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000278784905 427451789 /nfs/dbraw/zinc/45/17/89/427451789.db2.gz ZPTSDQGBICXDJJ-KUHUBIRLSA-N 1 0 313.397 2.689 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC000278795752 427454562 /nfs/dbraw/zinc/45/45/62/427454562.db2.gz YXRAEENEHYOIBB-CABCVRRESA-N 1 0 322.449 2.552 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1 ZINC000271167587 427428052 /nfs/dbraw/zinc/42/80/52/427428052.db2.gz SYRXYAYDHXTGFS-OAHLLOKOSA-N 1 0 304.434 2.827 20 10 DFCDRO COc1cccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1O ZINC000271167658 427428726 /nfs/dbraw/zinc/42/87/26/427428726.db2.gz TXEWQACFAHOWJL-UHFFFAOYSA-N 1 0 321.417 2.955 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1O ZINC000271170797 427430451 /nfs/dbraw/zinc/43/04/51/427430451.db2.gz FAPOKCGOEDLCPO-MAUKXSAKSA-N 1 0 305.418 2.918 20 10 DFCDRO COCCSCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000278552823 427442580 /nfs/dbraw/zinc/44/25/80/427442580.db2.gz UIFGKJXHBOQWNI-UHFFFAOYSA-N 1 0 324.490 2.587 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccccc1O ZINC000278545981 427442918 /nfs/dbraw/zinc/44/29/18/427442918.db2.gz VHRGRYPBXYWSRK-HOCLYGCPSA-N 1 0 314.433 2.835 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000294010168 427521539 /nfs/dbraw/zinc/52/15/39/427521539.db2.gz MVIZXPDFNPDBQI-ZWKOTPCHSA-N 1 0 303.402 2.934 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCCn2nc(COC)nc21)c1ccccc1O ZINC000185213933 427613718 /nfs/dbraw/zinc/61/37/18/427613718.db2.gz JMSIOXGRLOTETO-UONOGXRCSA-N 1 0 316.405 2.706 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000192815801 427616550 /nfs/dbraw/zinc/61/65/50/427616550.db2.gz SUGRXFXDRXEEGE-GJZGRUSLSA-N 1 0 312.417 2.810 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c(O)c1 ZINC000184915693 427565573 /nfs/dbraw/zinc/56/55/73/427565573.db2.gz UHHPVVSSJPVAIB-RDJZCZTQSA-N 1 0 306.450 2.708 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)cc1 ZINC000271515148 427565622 /nfs/dbraw/zinc/56/56/22/427565622.db2.gz PNGSJCHTOPNZDV-KBXCAEBGSA-N 1 0 306.450 2.581 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000294149000 427567410 /nfs/dbraw/zinc/56/74/10/427567410.db2.gz RBUBWYJXNISYJN-DOTOQJQBSA-N 1 0 303.450 2.667 20 10 DFCDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000271688615 427582200 /nfs/dbraw/zinc/58/22/00/427582200.db2.gz JVLVPAXHBBMIMW-INIZCTEOSA-N 1 0 319.426 2.907 20 10 DFCDRO COc1cc(O)c(C[NH2+]CC2([C@@H](C)CCO)CCC2)cc1OC ZINC000271857527 427592548 /nfs/dbraw/zinc/59/25/48/427592548.db2.gz VAXZMUKTZNFTSK-ZDUSSCGKSA-N 1 0 323.433 2.688 20 10 DFCDRO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185098484 427594992 /nfs/dbraw/zinc/59/49/92/427594992.db2.gz QOWCRUQXHMCUJD-BDJLRTHQSA-N 1 0 305.349 2.924 20 10 DFCDRO Cc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1O ZINC000271919758 427597992 /nfs/dbraw/zinc/59/79/92/427597992.db2.gz RRXMDODDJXQBBH-HNNXBMFYSA-N 1 0 303.377 2.781 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c(O)c1 ZINC000185127843 427600369 /nfs/dbraw/zinc/60/03/69/427600369.db2.gz LGXGAOFDYBJUPD-ZFWWWQNUSA-N 1 0 319.376 2.930 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c1 ZINC000185127608 427600415 /nfs/dbraw/zinc/60/04/15/427600415.db2.gz RXWOBUUUQQWZBE-ZFWWWQNUSA-N 1 0 319.376 2.930 20 10 DFCDRO CCCn1ncnc1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000279344926 427644857 /nfs/dbraw/zinc/64/48/57/427644857.db2.gz FBSKPLKQGVQRBO-UHFFFAOYSA-N 1 0 313.449 2.919 20 10 DFCDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185389020 427646274 /nfs/dbraw/zinc/64/62/74/427646274.db2.gz BYRJZESWGYLXFO-TVQRCGJNSA-N 1 0 302.212 2.966 20 10 DFCDRO C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(F)ccc1O ZINC000185444429 427654580 /nfs/dbraw/zinc/65/45/80/427654580.db2.gz LXXJUOMGUMOQEW-LBPRGKRZSA-N 1 0 308.397 2.831 20 10 DFCDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185462783 427656464 /nfs/dbraw/zinc/65/64/64/427656464.db2.gz HLBRAUJNJZJGAG-TVQRCGJNSA-N 1 0 302.212 2.822 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc2c(cc1O)CCCC2 ZINC000185502755 427664722 /nfs/dbraw/zinc/66/47/22/427664722.db2.gz FVTWFQNSOJRBHE-DOMZBBRYSA-N 1 0 302.418 2.542 20 10 DFCDRO COc1ccc(O)c(C[NH2+]Cc2cnc(OC)c(Cl)c2)c1 ZINC000295007103 427670024 /nfs/dbraw/zinc/67/00/24/427670024.db2.gz LUDZMZOQAHXNNW-UHFFFAOYSA-N 1 0 308.765 2.748 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000295101769 427692222 /nfs/dbraw/zinc/69/22/22/427692222.db2.gz KLSFKRRPKJNADG-UHFFFAOYSA-N 1 0 305.418 2.918 20 10 DFCDRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000186027597 427740634 /nfs/dbraw/zinc/74/06/34/427740634.db2.gz GTVYCRMUQZVZHX-JTQLQIEISA-N 1 0 319.854 2.910 20 10 DFCDRO COc1ccc(O)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000194415349 427741715 /nfs/dbraw/zinc/74/17/15/427741715.db2.gz VZIRZPRYVUVPDE-UHFFFAOYSA-N 1 0 302.330 2.641 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2OCO3)c1 ZINC000194401302 427741970 /nfs/dbraw/zinc/74/19/70/427741970.db2.gz SEERZFHCDOWVKR-NSHDSACASA-N 1 0 301.342 2.980 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@]2(CCCOC2)O1 ZINC000369874680 428080106 /nfs/dbraw/zinc/08/01/06/428080106.db2.gz QNLVHUAPOQIONR-RBUKOAKNSA-N 1 0 318.461 2.913 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1O ZINC000359977112 428101393 /nfs/dbraw/zinc/10/13/93/428101393.db2.gz VNXFFJDLMPYAPA-RISCZKNCSA-N 1 0 310.825 2.580 20 10 DFCDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000370766691 428295051 /nfs/dbraw/zinc/29/50/51/428295051.db2.gz NRTFSHVOZAWCJH-IBGZPJMESA-N 1 0 323.440 2.544 20 10 DFCDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2O)n1 ZINC000371410027 428389386 /nfs/dbraw/zinc/38/93/86/428389386.db2.gz QRLWQRZSKPCGJY-INIZCTEOSA-N 1 0 300.406 2.574 20 10 DFCDRO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)n1 ZINC000371414866 428389441 /nfs/dbraw/zinc/38/94/41/428389441.db2.gz MSTCXADRTGUCEP-INIZCTEOSA-N 1 0 300.406 2.746 20 10 DFCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ccccn3)CC1)OCO2 ZINC000371319036 428381454 /nfs/dbraw/zinc/38/14/54/428381454.db2.gz MTGVEJPNYRSXQL-UHFFFAOYSA-N 1 0 312.369 2.896 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCN2C)c1 ZINC000371383587 428384671 /nfs/dbraw/zinc/38/46/71/428384671.db2.gz ORLXGXUOHLJPPW-IAGOWNOFSA-N 1 0 304.434 2.850 20 10 DFCDRO Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC000360793414 428442777 /nfs/dbraw/zinc/44/27/77/428442777.db2.gz OLWAANPFYRROAH-MRXNPFEDSA-N 1 0 300.406 2.746 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)cc1F ZINC000372129482 428415992 /nfs/dbraw/zinc/41/59/92/428415992.db2.gz XKEFUJJDBFNAQQ-UHFFFAOYSA-N 1 0 322.424 2.663 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1O ZINC000372134228 428416477 /nfs/dbraw/zinc/41/64/77/428416477.db2.gz OSJMQSFULQOVEA-UHFFFAOYSA-N 1 0 321.417 2.562 20 10 DFCDRO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cc(F)ccc1O)CC2 ZINC000372813910 428502439 /nfs/dbraw/zinc/50/24/39/428502439.db2.gz WXPGSEYRVDFMIY-HNNXBMFYSA-N 1 0 303.381 2.956 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1O ZINC000373217013 428524154 /nfs/dbraw/zinc/52/41/54/428524154.db2.gz PJYYAAQQKANYMJ-SWLSCSKDSA-N 1 0 322.836 2.845 20 10 DFCDRO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2O)n1 ZINC000373226907 428525014 /nfs/dbraw/zinc/52/50/14/428525014.db2.gz DMMOKQXTSWVTSF-QGZVFWFLSA-N 1 0 314.433 2.964 20 10 DFCDRO Cc1ccc(N2CCC[C@H]([N@H+](C)Cc3ccccc3O)C2)nn1 ZINC000361050368 428532081 /nfs/dbraw/zinc/53/20/81/428532081.db2.gz GZGSFDWZBKCBAS-INIZCTEOSA-N 1 0 312.417 2.591 20 10 DFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc3c(c2)CCN3C)oc1C ZINC000373533045 428599435 /nfs/dbraw/zinc/59/94/35/428599435.db2.gz YIEKEZRHZMIZMT-UHFFFAOYSA-N 1 0 314.385 2.657 20 10 DFCDRO OC[C@]1([NH2+]Cc2cc(Cl)ccc2O)CCOc2ccccc21 ZINC000374135038 428665228 /nfs/dbraw/zinc/66/52/28/428665228.db2.gz DWEVLBCWXQFPPR-QGZVFWFLSA-N 1 0 319.788 2.806 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000374256024 428670531 /nfs/dbraw/zinc/67/05/31/428670531.db2.gz UCWRNBKZYFJUFR-RBUKOAKNSA-N 1 0 316.445 2.667 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)c1ccccc1O ZINC000374673766 428728275 /nfs/dbraw/zinc/72/82/75/428728275.db2.gz AYJDIHOAJNJKJR-KYHPRHEASA-N 1 0 318.461 2.932 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1 ZINC000362293847 428692025 /nfs/dbraw/zinc/69/20/25/428692025.db2.gz PUDIMTGWZINARG-KXBFYZLASA-N 1 0 317.477 2.657 20 10 DFCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CCCCO3)CC2)cc1 ZINC000363301200 428900807 /nfs/dbraw/zinc/90/08/07/428900807.db2.gz GGPBXSKKRINTRF-GOSISDBHSA-N 1 0 304.434 2.776 20 10 DFCDRO C[C@H]1Oc2c(cccc2F)[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000363532145 428936564 /nfs/dbraw/zinc/93/65/64/428936564.db2.gz GISBDODLDBHNRX-JDNHERCYSA-N 1 0 317.316 2.872 20 10 DFCDRO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(F)ccc1O ZINC000363868440 429132383 /nfs/dbraw/zinc/13/23/83/429132383.db2.gz SCLMLLAIQKZYDU-LBPRGKRZSA-N 1 0 312.348 2.963 20 10 DFCDRO c1ncn([C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000364514824 429217486 /nfs/dbraw/zinc/21/74/86/429217486.db2.gz ZIXDJSSMILNHSS-SFHVURJKSA-N 1 0 311.433 2.715 20 10 DFCDRO Cc1ccc2ncc(C[NH2+]Cc3ccc4c(c3)CCN4C)n2c1 ZINC000364444058 429204081 /nfs/dbraw/zinc/20/40/81/429204081.db2.gz MFWFKORQYKMFBC-UHFFFAOYSA-N 1 0 306.413 2.925 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCc3nccn3C2)cc1F ZINC000364670270 429245769 /nfs/dbraw/zinc/24/57/69/429245769.db2.gz HHHVEOCETYHPBD-HNNXBMFYSA-N 1 0 316.424 2.783 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000365524456 429334616 /nfs/dbraw/zinc/33/46/16/429334616.db2.gz ANBZNZZTVALIOT-ZBFHGGJFSA-N 1 0 316.405 2.528 20 10 DFCDRO CC(C)C(=O)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000295994203 275557936 /nfs/dbraw/zinc/55/79/36/275557936.db2.gz NVZUWTDXCXHNEY-HNNXBMFYSA-N 1 0 302.418 2.616 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000367472802 429657132 /nfs/dbraw/zinc/65/71/32/429657132.db2.gz WBDMCTOLZXTBKM-AWEZNQCLSA-N 1 0 315.417 2.904 20 10 DFCDRO Cc1cccc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1O ZINC000367956342 429751136 /nfs/dbraw/zinc/75/11/36/429751136.db2.gz NBXCBIQBOABYEO-RDJZCZTQSA-N 1 0 305.418 2.500 20 10 DFCDRO Cc1cccc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)c1O ZINC000367956341 429751446 /nfs/dbraw/zinc/75/14/46/429751446.db2.gz NBXCBIQBOABYEO-NVXWUHKLSA-N 1 0 305.418 2.500 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc(Cl)ccc1O ZINC000368331493 429830921 /nfs/dbraw/zinc/83/09/21/429830921.db2.gz JYISWNFWSIHGQV-XVMOGABASA-N 1 0 308.809 2.706 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(c3ccncn3)C2)c1 ZINC000368330591 429831597 /nfs/dbraw/zinc/83/15/97/429831597.db2.gz GWKKWAZLHJAZET-GJZGRUSLSA-N 1 0 312.417 2.810 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)OC[C@@H]3C)cc2)CC1 ZINC000296661486 277194616 /nfs/dbraw/zinc/19/46/16/277194616.db2.gz YMPJPWMTJSUIAV-JKSUJKDBSA-N 1 0 318.461 2.911 20 10 DFCDRO COc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c(OC)n1 ZINC000297409367 277898540 /nfs/dbraw/zinc/89/85/40/277898540.db2.gz TWZJTWZUTFTPQW-CYBMUJFWSA-N 1 0 300.358 2.582 20 10 DFCDRO CC[C@@H]([NH2+][C@H](C)[C@@H](C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000134136789 280196160 /nfs/dbraw/zinc/19/61/60/280196160.db2.gz CSAKOGWGNRQQQZ-GPMSIDNRSA-N 1 0 319.493 2.903 20 10 DFCDRO OC[C@@]1([NH2+]Cc2cc(Cl)ccc2O)COc2ccccc2C1 ZINC000527768929 300687420 /nfs/dbraw/zinc/68/74/20/300687420.db2.gz HMOLKJLZJUUEKW-QGZVFWFLSA-N 1 0 319.788 2.501 20 10 DFCDRO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc2ccccc2c1O ZINC000527958320 300718965 /nfs/dbraw/zinc/71/89/65/300718965.db2.gz VARRNZPSRDKLMB-AFAVFJNCSA-N 1 0 301.386 2.736 20 10 DFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2CC(O)C2)c1O ZINC000528018752 300728779 /nfs/dbraw/zinc/72/87/79/300728779.db2.gz PEEULGWEQFOWEF-GRZMOONWSA-N 1 0 314.223 2.885 20 10 DFCDRO C[C@H]([NH2+]CC1CC(O)C1)c1cc(Br)ccc1O ZINC000528019965 300729183 /nfs/dbraw/zinc/72/91/83/300729183.db2.gz VZIDMOYJVAZJFA-SILCLGDVSA-N 1 0 300.196 2.576 20 10 DFCDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000237691988 332385098 /nfs/dbraw/zinc/38/50/98/332385098.db2.gz BSPCMWPNULTGHB-MRXNPFEDSA-N 1 0 315.392 2.797 20 10 DFCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000122953103 332416401 /nfs/dbraw/zinc/41/64/01/332416401.db2.gz PCEXYEGAZHTLCM-HNNXBMFYSA-N 1 0 317.477 2.806 20 10 DFCDRO OCCOCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293576365 335109213 /nfs/dbraw/zinc/10/92/13/335109213.db2.gz DRHZYEVYZYNQDA-SFHVURJKSA-N 1 0 315.413 2.665 20 10 DFCDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cccnc1 ZINC000293666042 335114651 /nfs/dbraw/zinc/11/46/51/335114651.db2.gz OKIYTGDNHAWTQE-INIZCTEOSA-N 1 0 304.365 2.776 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000178712265 333142494 /nfs/dbraw/zinc/14/24/94/333142494.db2.gz DDSMDDAFZRRAHC-UHFFFAOYSA-N 1 0 311.429 2.922 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000185414317 333208579 /nfs/dbraw/zinc/20/85/79/333208579.db2.gz ZUXKXKBHVDTLAU-HZPDHXFCSA-N 1 0 306.450 2.588 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000185414338 333208666 /nfs/dbraw/zinc/20/86/66/333208666.db2.gz ZUXKXKBHVDTLAU-JKSUJKDBSA-N 1 0 306.450 2.588 20 10 DFCDRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc2c(cc1O)CCCC2 ZINC000185639020 333211318 /nfs/dbraw/zinc/21/13/18/333211318.db2.gz PRZSGRKQLYNXRG-SJKOYZFVSA-N 1 0 307.459 2.790 20 10 DFCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](CO)c2ccccc2)c1 ZINC000294937851 335128995 /nfs/dbraw/zinc/12/89/95/335128995.db2.gz BZPXDDJIQUUWJU-QGZVFWFLSA-N 1 0 301.386 2.956 20 10 DFCDRO COc1cccc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1O ZINC000295193838 335130954 /nfs/dbraw/zinc/13/09/54/335130954.db2.gz XPDYEBMZZOEOGA-UHFFFAOYSA-N 1 0 305.418 2.918 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1F ZINC000295155136 335132879 /nfs/dbraw/zinc/13/28/79/335132879.db2.gz RNJJPRBRPDLFKB-INIZCTEOSA-N 1 0 320.383 2.724 20 10 DFCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184677929 333363682 /nfs/dbraw/zinc/36/36/82/333363682.db2.gz DHVKDBSOLBGWGW-AWEZNQCLSA-N 1 0 312.841 2.970 20 10 DFCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000186223792 333372379 /nfs/dbraw/zinc/37/23/79/333372379.db2.gz JGFREIDXQVZWLL-GFCCVEGCSA-N 1 0 300.402 2.968 20 10 DFCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295904019 335138398 /nfs/dbraw/zinc/13/83/98/335138398.db2.gz IUECYSFPOPSLKP-RDJZCZTQSA-N 1 0 313.397 2.717 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC3(CCOCC3)[C@@H]1O)CC2 ZINC000296476061 335142202 /nfs/dbraw/zinc/14/22/02/335142202.db2.gz OUFRMFQSUHKXOF-HDMKZQKVSA-N 1 0 317.429 2.537 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000296278999 335143080 /nfs/dbraw/zinc/14/30/80/335143080.db2.gz DYKCWOLOPZWSGT-UONOGXRCSA-N 1 0 324.440 2.862 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(Br)cc1O ZINC000296579429 335146470 /nfs/dbraw/zinc/14/64/70/335146470.db2.gz UEPIPIWLBKTKQA-FOGDFJRCSA-N 1 0 314.223 2.966 20 10 DFCDRO OC[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297070552 335148974 /nfs/dbraw/zinc/14/89/74/335148974.db2.gz WJBOUQKVDKGIKT-HZPDHXFCSA-N 1 0 301.361 2.712 20 10 DFCDRO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000297300330 335152483 /nfs/dbraw/zinc/15/24/83/335152483.db2.gz MHCOUVMLPZOGOM-XHDPSFHLSA-N 1 0 307.340 2.925 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000273471482 334047752 /nfs/dbraw/zinc/04/77/52/334047752.db2.gz SBLZCEHCPMJRIY-CYBMUJFWSA-N 1 0 320.433 2.561 20 10 DFCDRO COC(=O)[C@@H](NCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000276424121 334077810 /nfs/dbraw/zinc/07/78/10/334077810.db2.gz GOFLOYDZEUAYEZ-KRWDZBQOSA-N 1 0 302.418 2.718 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277600199 334089337 /nfs/dbraw/zinc/08/93/37/334089337.db2.gz OQLJUFNDTZSJFK-INIZCTEOSA-N 1 0 317.433 2.551 20 10 DFCDRO CC[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(C)cc1O ZINC000280193668 334114979 /nfs/dbraw/zinc/11/49/79/334114979.db2.gz SJUNNHAUBMDKNQ-RDJZCZTQSA-N 1 0 306.450 2.588 20 10 DFCDRO OC1(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000285416872 334147763 /nfs/dbraw/zinc/14/77/63/334147763.db2.gz GJSVJZABVCPXPK-UHFFFAOYSA-N 1 0 318.461 2.698 20 10 DFCDRO CCC1([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)CCCC1 ZINC000298081186 334246109 /nfs/dbraw/zinc/24/61/09/334246109.db2.gz HPBPPRWXXIIXQT-UHFFFAOYSA-N 1 0 303.450 2.681 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1 ZINC000366929322 335375096 /nfs/dbraw/zinc/37/50/96/335375096.db2.gz ZCISQBWKNFFPQW-LJQANCHMSA-N 1 0 312.413 2.513 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)c1O ZINC000367347810 336675654 /nfs/dbraw/zinc/67/56/54/336675654.db2.gz BHRQATMVZYANRS-KBPBESRZSA-N 1 0 308.809 2.597 20 10 DFCDRO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc2c(c1)CCN2C ZINC000370429275 336884818 /nfs/dbraw/zinc/88/48/18/336884818.db2.gz YRLTWJHDWFJBFH-UHFFFAOYSA-N 1 0 304.825 2.664 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c1 ZINC000371420574 336903582 /nfs/dbraw/zinc/90/35/82/336903582.db2.gz ZSLGGWALJFNHGH-UHFFFAOYSA-N 1 0 302.418 2.581 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c(O)c1 ZINC000371835317 336914255 /nfs/dbraw/zinc/91/42/55/336914255.db2.gz RZDXACKOPBYYTF-RYQLBKOJSA-N 1 0 318.461 2.995 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000375301254 337007394 /nfs/dbraw/zinc/00/73/94/337007394.db2.gz FTVPEQZYWDNXMS-BOFPYLFWSA-N 1 0 315.461 2.851 20 10 DFCDRO CCC(=O)CC[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000375434491 337011043 /nfs/dbraw/zinc/01/10/43/337011043.db2.gz FDUISBYORZUQHU-UHFFFAOYSA-N 1 0 304.434 2.965 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCn3ccnc32)c1 ZINC000375843838 337021141 /nfs/dbraw/zinc/02/11/41/337021141.db2.gz BRXSAIXUWUCWTR-CHWSQXEVSA-N 1 0 301.390 2.826 20 10 DFCDRO CCc1nnc2n1C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)CC2 ZINC000375852818 337021392 /nfs/dbraw/zinc/02/13/92/337021392.db2.gz XVHCTUXHTMKUIF-CMPLNLGQSA-N 1 0 320.824 2.865 20 10 DFCDRO CCc1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)CC2 ZINC000375853398 337021515 /nfs/dbraw/zinc/02/15/15/337021515.db2.gz YZEPXCKBIZIDEI-CHWSQXEVSA-N 1 0 300.406 2.520 20 10 DFCDRO Cc1noc([C@@H]([NH2+]Cc2cccc(C)c2O)C2CCOCC2)n1 ZINC000375888984 337022163 /nfs/dbraw/zinc/02/21/63/337022163.db2.gz GUFXTKBKVZYPPH-HNNXBMFYSA-N 1 0 317.389 2.650 20 10 DFCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cc(F)ccc1O ZINC000376005655 337025078 /nfs/dbraw/zinc/02/50/78/337025078.db2.gz WVPVNYBPTXTYJK-GUTXKFCHSA-N 1 0 320.408 2.973 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cc(F)ccc1O ZINC000376029134 337025568 /nfs/dbraw/zinc/02/55/68/337025568.db2.gz NBQKMUSCMZKWPC-JSGCOSHPSA-N 1 0 318.396 2.584 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(CCCCO3)C1)OCO2 ZINC000376480544 337034440 /nfs/dbraw/zinc/03/44/40/337034440.db2.gz ZPFZRBWLDVSLLS-QGZVFWFLSA-N 1 0 305.374 2.656 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000377659824 337057773 /nfs/dbraw/zinc/05/77/73/337057773.db2.gz QQUQRDHFYXLCFA-WMZOPIPTSA-N 1 0 310.397 2.928 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@H+](C)C[C@@H]2CCc3nccn3C2)c1 ZINC000377687668 337058338 /nfs/dbraw/zinc/05/83/38/337058338.db2.gz ALVGWGXUTZDZCW-KBPBESRZSA-N 1 0 315.417 2.853 20 10 DFCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@H]1CCn2ccnc2C1 ZINC000377862804 337062868 /nfs/dbraw/zinc/06/28/68/337062868.db2.gz ZEVJLYAPAIEUEM-LBPRGKRZSA-N 1 0 305.809 2.937 20 10 DFCDRO Oc1cc2c(cc1C[NH2+][C@H]1COc3c1cccc3Cl)OCO2 ZINC000378089540 337066343 /nfs/dbraw/zinc/06/63/43/337066343.db2.gz JLKVVUMOLWUPPM-LBPRGKRZSA-N 1 0 319.744 2.998 20 10 DFCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)ccc1OC ZINC000378310121 337069741 /nfs/dbraw/zinc/06/97/41/337069741.db2.gz GVKXLZTXQZDKDU-FUHWJXTLSA-N 1 0 305.418 2.889 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1N1CCOCC1 ZINC000378341809 337070335 /nfs/dbraw/zinc/07/03/35/337070335.db2.gz MDRWQJIEIQHOES-CJNGLKHVSA-N 1 0 324.852 2.588 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2C)c1 ZINC000378441795 337072805 /nfs/dbraw/zinc/07/28/05/337072805.db2.gz IBDCYTIKMJBBRP-MRXNPFEDSA-N 1 0 301.390 2.780 20 10 DFCDRO COc1ccc(O)c(C[NH2+]Cc2nc(C)n3c2CCCC3)c1 ZINC000378521358 337075122 /nfs/dbraw/zinc/07/51/22/337075122.db2.gz UXKGVIVMBRAOAK-UHFFFAOYSA-N 1 0 301.390 2.532 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCCN(C3CC3)CC2)c(O)c1 ZINC000179732082 337169151 /nfs/dbraw/zinc/16/91/51/337169151.db2.gz MMHHQNQVRCTHHH-UHFFFAOYSA-N 1 0 304.434 2.851 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]CC1(O)CCCC1 ZINC000225806119 337194440 /nfs/dbraw/zinc/19/44/40/337194440.db2.gz CBBXZPLQRBBEEQ-UHFFFAOYSA-N 1 0 300.196 2.549 20 10 DFCDRO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(F)ccc1O ZINC000184989099 337202224 /nfs/dbraw/zinc/20/22/24/337202224.db2.gz NXJCGIQPXPPKLF-LBPRGKRZSA-N 1 0 312.348 2.963 20 10 DFCDRO CCOc1ccc(O)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000092047357 337899167 /nfs/dbraw/zinc/89/91/67/337899167.db2.gz UBLXTEFBWCQLET-MRXNPFEDSA-N 1 0 304.434 2.851 20 10 DFCDRO CC1(N2CCOCC2)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000529661625 340766988 /nfs/dbraw/zinc/76/69/88/340766988.db2.gz AGDVLMUZMGFNOU-UHFFFAOYSA-N 1 0 324.852 2.732 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000134228928 341210134 /nfs/dbraw/zinc/21/01/34/341210134.db2.gz QKVXLYFDTFBLMT-GFCCVEGCSA-N 1 0 305.399 2.647 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)c1O ZINC000124588323 518278190 /nfs/dbraw/zinc/27/81/90/518278190.db2.gz JJZVPZZNOIMQNH-BONVTDFDSA-N 1 0 310.825 2.630 20 10 DFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180017330 519874442 /nfs/dbraw/zinc/87/44/42/519874442.db2.gz LRJSEPGCVQASJY-CYBMUJFWSA-N 1 0 308.397 2.660 20 10 DFCDRO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000124283549 519875869 /nfs/dbraw/zinc/87/58/69/519875869.db2.gz QAYIBEUQLPJGGB-GFCCVEGCSA-N 1 0 310.825 2.926 20 10 DFCDRO CCOCc1cc(C[NH2+]C[C@H](O)c2ccc(C)o2)ccc1OC ZINC000265917668 520186709 /nfs/dbraw/zinc/18/67/09/520186709.db2.gz BPAMUHSMDLKUMJ-INIZCTEOSA-N 1 0 319.401 2.956 20 10 DFCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000188897739 520199745 /nfs/dbraw/zinc/19/97/45/520199745.db2.gz RYOFZZSVOUAADQ-CYBMUJFWSA-N 1 0 309.429 2.628 20 10 DFCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000189402114 520202274 /nfs/dbraw/zinc/20/22/74/520202274.db2.gz GWURXRTYSGVEOV-QWHCGFSZSA-N 1 0 304.434 2.788 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(CCOC)C2)cc1 ZINC000268919695 520289333 /nfs/dbraw/zinc/28/93/33/520289333.db2.gz OOOXKEAXVQUEPM-RDJZCZTQSA-N 1 0 305.466 2.514 20 10 DFCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCOCC2 ZINC000186306397 520549991 /nfs/dbraw/zinc/54/99/91/520549991.db2.gz SAPDLZCHOWEDMZ-MSOLQXFVSA-N 1 0 317.429 2.685 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000236911964 520900173 /nfs/dbraw/zinc/90/01/73/520900173.db2.gz PERKWRNDSZSHPT-CABCVRRESA-N 1 0 321.440 2.806 20 10 DFCDRO CC[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000182942144 521121849 /nfs/dbraw/zinc/12/18/49/521121849.db2.gz MEFXCNWQEBJSML-UHFFFAOYSA-N 1 0 301.386 2.785 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000131945520 521142720 /nfs/dbraw/zinc/14/27/20/521142720.db2.gz RPWMHXHWAZYAQE-INIZCTEOSA-N 1 0 301.390 2.862 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)c1O ZINC000191677679 521346410 /nfs/dbraw/zinc/34/64/10/521346410.db2.gz IIZYAVGGWSQRRI-DUVNUKRYSA-N 1 0 319.401 2.564 20 10 DFCDRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccccc2O)n1 ZINC000191561280 521589122 /nfs/dbraw/zinc/58/91/22/521589122.db2.gz GCUGRZCOVNDZMC-LLVKDONJSA-N 1 0 320.414 2.919 20 10 DFCDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178673776 522205608 /nfs/dbraw/zinc/20/56/08/522205608.db2.gz SLWLUFBFJKPQDX-UONOGXRCSA-N 1 0 310.413 2.595 20 10 DFCDRO COC[C@@H](C)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000124558455 522219048 /nfs/dbraw/zinc/21/90/48/522219048.db2.gz NFTZTZIZJGCTAZ-SNVBAGLBSA-N 1 0 302.212 2.930 20 10 DFCDRO COc1cc(O)c(C[NH2+]C(C)(C)c2nccs2)cc1OC ZINC000182213342 522776521 /nfs/dbraw/zinc/77/65/21/522776521.db2.gz FOGFVWCJLWUBDH-UHFFFAOYSA-N 1 0 308.403 2.891 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)cc1OC ZINC000182489630 522782113 /nfs/dbraw/zinc/78/21/13/522782113.db2.gz DFUXNGCDLKNGMO-RDJZCZTQSA-N 1 0 309.406 2.703 20 10 DFCDRO CC[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000119107270 522829451 /nfs/dbraw/zinc/82/94/51/522829451.db2.gz SKUMBSQOIJBDDI-QZTJIDSGSA-N 1 0 306.450 2.989 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)CCN1CC(F)F ZINC000180543271 523448709 /nfs/dbraw/zinc/44/87/09/523448709.db2.gz INOOXUOTVWVTKG-CYBMUJFWSA-N 1 0 314.376 2.562 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1O ZINC000368460682 524389676 /nfs/dbraw/zinc/38/96/76/524389676.db2.gz BKNQHCOCUCHRLA-INIZCTEOSA-N 1 0 302.418 2.678 20 10 DFCDRO COc1ccc(O)c(CNc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000237207670 524755301 /nfs/dbraw/zinc/75/53/01/524755301.db2.gz VJXBRHGGXKHWSI-UHFFFAOYSA-N 1 0 316.401 2.953 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000264946714 525345406 /nfs/dbraw/zinc/34/54/06/525345406.db2.gz JCJYMCWAFSKFMG-UHFFFAOYSA-N 1 0 302.340 2.817 20 10 DFCDRO C[C@@]1(O)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183116594 525885800 /nfs/dbraw/zinc/88/58/00/525885800.db2.gz PRMMQTUAMZUKQO-LJQANCHMSA-N 1 0 313.397 2.928 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1O ZINC000237209041 526021027 /nfs/dbraw/zinc/02/10/27/526021027.db2.gz BKQXXUDXBOMDRG-CQSZACIVSA-N 1 0 307.777 2.877 20 10 DFCDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297468765 526681757 /nfs/dbraw/zinc/68/17/57/526681757.db2.gz YJXNINRZTDPJFT-OGHNNQOOSA-N 1 0 302.418 2.662 20 10 DFCDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469364 185172874 /nfs/dbraw/zinc/17/28/74/185172874.db2.gz SPLLYGZKXWDWJF-AWEZNQCLSA-N 1 0 322.424 2.898 20 10 DFCDRO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092708609 185335306 /nfs/dbraw/zinc/33/53/06/185335306.db2.gz FQTILMRDONFXNK-HNNXBMFYSA-N 1 0 320.433 2.672 20 10 DFCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092734344 185337236 /nfs/dbraw/zinc/33/72/36/185337236.db2.gz UMPSZPYTLJKQQH-CQSZACIVSA-N 1 0 320.433 2.529 20 10 DFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000068596538 398515598 /nfs/dbraw/zinc/51/55/98/398515598.db2.gz IBRXTRJIISXCTA-HNNXBMFYSA-N 1 0 320.481 2.624 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000092073544 398556400 /nfs/dbraw/zinc/55/64/00/398556400.db2.gz MVVSAZPKGXYCGM-ZDUSSCGKSA-N 1 0 301.390 2.894 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1O ZINC000092072341 398556944 /nfs/dbraw/zinc/55/69/44/398556944.db2.gz ITDIVEUVIIZTEN-CQSZACIVSA-N 1 0 301.390 2.894 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1O ZINC000093455403 398638057 /nfs/dbraw/zinc/63/80/57/398638057.db2.gz DOUFRSCJMWSDIC-KRWDZBQOSA-N 1 0 313.397 2.883 20 10 DFCDRO COC[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000093528523 398640676 /nfs/dbraw/zinc/64/06/76/398640676.db2.gz WFWVTHZGNNBDRE-GOSISDBHSA-N 1 0 313.397 2.906 20 10 DFCDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(C)c(O)c1O ZINC000286097675 283248755 /nfs/dbraw/zinc/24/87/55/283248755.db2.gz FBUBCVPDGAMSDN-UHFFFAOYSA-N 1 0 320.433 2.744 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000184850352 299308558 /nfs/dbraw/zinc/30/85/58/299308558.db2.gz QIAYRNHBZVGAAE-ONGXEEELSA-N 1 0 300.196 2.984 20 10 DFCDRO CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CN(CC)CC3)c1O ZINC000091892531 193122958 /nfs/dbraw/zinc/12/29/58/193122958.db2.gz XCTFSHBCYMQWOF-CVEARBPZSA-N 1 0 304.434 2.850 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370972 299380693 /nfs/dbraw/zinc/38/06/93/299380693.db2.gz CJWFGNUPUSKCOO-XQQFMLRXSA-N 1 0 307.394 2.824 20 10 DFCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000093415659 193247090 /nfs/dbraw/zinc/24/70/90/193247090.db2.gz JEWDLNXCTLSFNA-INIZCTEOSA-N 1 0 317.385 2.575 20 10 DFCDRO CCCCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106701962 194244645 /nfs/dbraw/zinc/24/46/45/194244645.db2.gz SRGHRELBOAGDKE-UHFFFAOYSA-N 1 0 321.440 2.774 20 10 DFCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000172071861 285154483 /nfs/dbraw/zinc/15/44/83/285154483.db2.gz WTVGDTKNIFCXSC-GOSISDBHSA-N 1 0 306.450 2.554 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1O ZINC000272486488 130034787 /nfs/dbraw/zinc/03/47/87/130034787.db2.gz DBFGLTNYEJQKLT-GHMZBOCLSA-N 1 0 314.223 2.666 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1O ZINC000272486496 130035462 /nfs/dbraw/zinc/03/54/62/130035462.db2.gz DBFGLTNYEJQKLT-QWRGUYRKSA-N 1 0 314.223 2.666 20 10 DFCDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000273361016 130110422 /nfs/dbraw/zinc/11/04/22/130110422.db2.gz AGZILJKSPPTKIP-WMLDXEAASA-N 1 0 318.461 2.642 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c(O)c1 ZINC000273367742 130112099 /nfs/dbraw/zinc/11/20/99/130112099.db2.gz BVQZKLLVZOURCA-MRXNPFEDSA-N 1 0 318.461 2.996 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370969 130113022 /nfs/dbraw/zinc/11/30/22/130113022.db2.gz CJWFGNUPUSKCOO-RWMBFGLXSA-N 1 0 307.394 2.824 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c(O)c1C ZINC000273388096 130116152 /nfs/dbraw/zinc/11/61/52/130116152.db2.gz KDAZEFHSRQZPHI-HZPDHXFCSA-N 1 0 306.450 2.506 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCC(O)CC2)c(O)c1C ZINC000273387079 130116351 /nfs/dbraw/zinc/11/63/51/130116351.db2.gz JTZSSCYTTWBGKO-HNNXBMFYSA-N 1 0 306.450 2.506 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000273470880 130125475 /nfs/dbraw/zinc/12/54/75/130125475.db2.gz JTCYQKFUGCNLTK-OCCSQVGLSA-N 1 0 307.390 2.737 20 10 DFCDRO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc2ccccc2c1O ZINC000273502160 130129427 /nfs/dbraw/zinc/12/94/27/130129427.db2.gz QKHXAEQKFJGGLC-SJKOYZFVSA-N 1 0 311.385 2.663 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000273504045 130129612 /nfs/dbraw/zinc/12/96/12/130129612.db2.gz QSZPGRVXCBAJDI-BZNIZROVSA-N 1 0 305.349 2.924 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC000273550398 130134951 /nfs/dbraw/zinc/13/49/51/130134951.db2.gz FTJOQFHDFNGTDY-SOUVJXGZSA-N 1 0 304.434 2.998 20 10 DFCDRO CNC(=O)C1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273607913 130143177 /nfs/dbraw/zinc/14/31/77/130143177.db2.gz UTRXKRCYAUHOOH-WLYUNCDWSA-N 1 0 304.434 2.964 20 10 DFCDRO C[C@H]([NH2+]Cc1cccc(CO)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615754 130145389 /nfs/dbraw/zinc/14/53/89/130145389.db2.gz XHPFFJYTBJRNAA-NSHDSACASA-N 1 0 302.330 2.644 20 10 DFCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000273623324 130147063 /nfs/dbraw/zinc/14/70/63/130147063.db2.gz ZUSRIOZULHUCQM-GXTWGEPZSA-N 1 0 300.406 2.575 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274458444 130237642 /nfs/dbraw/zinc/23/76/42/130237642.db2.gz ZXPXXDUXAOUXCS-LLVKDONJSA-N 1 0 319.430 2.596 20 10 DFCDRO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O)C1CC1 ZINC000275482285 130326711 /nfs/dbraw/zinc/32/67/11/130326711.db2.gz BDEHFLJNNGXULP-KRWDZBQOSA-N 1 0 302.418 2.676 20 10 DFCDRO COc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)cc1C ZINC000275618022 130350434 /nfs/dbraw/zinc/35/04/34/130350434.db2.gz RJDGQLQRICJQGK-MAUKXSAKSA-N 1 0 315.417 2.605 20 10 DFCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000282860818 130944056 /nfs/dbraw/zinc/94/40/56/130944056.db2.gz UPIRGKFMRKGHMM-QWHCGFSZSA-N 1 0 323.868 2.930 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)c(O)c1 ZINC000284151247 131054223 /nfs/dbraw/zinc/05/42/23/131054223.db2.gz PHAOXHGQNAJQQW-OAHLLOKOSA-N 1 0 306.450 2.770 20 10 DFCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccccc2O)cc1 ZINC000284197742 131058726 /nfs/dbraw/zinc/05/87/26/131058726.db2.gz YSZVKVJNDFGMMD-KRWDZBQOSA-N 1 0 300.402 2.793 20 10 DFCDRO Cc1cccc(C[NH2+][C@H](c2nccn2C)C2CCOCC2)c1O ZINC000284699447 131104313 /nfs/dbraw/zinc/10/43/13/131104313.db2.gz QNSYJGRZURPMFQ-INIZCTEOSA-N 1 0 315.417 2.692 20 10 DFCDRO CCn1ccnc1[C@H]([NH2+]Cc1ccccc1O)C1CCOCC1 ZINC000284876983 131118116 /nfs/dbraw/zinc/11/81/16/131118116.db2.gz ZBRCQZGGSLCCRR-QGZVFWFLSA-N 1 0 315.417 2.866 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c(O)c1 ZINC000285098982 131137418 /nfs/dbraw/zinc/13/74/18/131137418.db2.gz KFHSVDWGNHNAOH-CQSZACIVSA-N 1 0 300.402 2.867 20 10 DFCDRO Oc1cc2c(cc1CN1CCC[C@@H]1C[NH+]1CCCCC1)OCO2 ZINC000151961617 542672840 /nfs/dbraw/zinc/67/28/40/542672840.db2.gz FHSQBSZSKRKDAF-OAHLLOKOSA-N 1 0 318.417 2.571 20 10 DFCDRO CCOC1CC(C[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000285219937 131149006 /nfs/dbraw/zinc/14/90/06/131149006.db2.gz PSXSJOQIWNOUFN-UHFFFAOYSA-N 1 0 304.434 2.632 20 10 DFCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)ccc1OC ZINC000285422319 131166817 /nfs/dbraw/zinc/16/68/17/131166817.db2.gz GVSNQEIIQBFSOQ-HOCLYGCPSA-N 1 0 307.434 2.994 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c(O)c1 ZINC000285609542 131186415 /nfs/dbraw/zinc/18/64/15/131186415.db2.gz JCDXCQKNQHOPLS-CYBMUJFWSA-N 1 0 311.447 2.709 20 10 DFCDRO CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000286363333 131232817 /nfs/dbraw/zinc/23/28/17/131232817.db2.gz ZHVYFEMOUHAGLH-KRWDZBQOSA-N 1 0 323.456 2.598 20 10 DFCDRO C[C@H]([NH2+]CC1=CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000286980308 131259120 /nfs/dbraw/zinc/25/91/20/131259120.db2.gz IZNPKCULWRPNOH-AWEZNQCLSA-N 1 0 320.408 2.660 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000287236444 131270517 /nfs/dbraw/zinc/27/05/17/131270517.db2.gz YLAYHZAQCSEYJK-RHSMWYFYSA-N 1 0 324.490 2.618 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)cc1OC ZINC000289195805 131364709 /nfs/dbraw/zinc/36/47/09/131364709.db2.gz BCIVNODGXJXWHP-ZFWWWQNUSA-N 1 0 323.433 2.925 20 10 DFCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(N(C)C)c(F)c1 ZINC000289247818 131368286 /nfs/dbraw/zinc/36/82/86/131368286.db2.gz DZXBULDWNWWTJV-LGEZUQEUSA-N 1 0 304.409 2.747 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CCC(=O)NC)c1 ZINC000289243120 131368874 /nfs/dbraw/zinc/36/88/74/131368874.db2.gz DTJOFRFRBCLIFN-HNNXBMFYSA-N 1 0 320.433 2.672 20 10 DFCDRO CN(C)c1ccc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000289329277 131374589 /nfs/dbraw/zinc/37/45/89/131374589.db2.gz HLSUTAFIOUDLPS-SFHVURJKSA-N 1 0 321.440 2.581 20 10 DFCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000289336191 131375521 /nfs/dbraw/zinc/37/55/21/131375521.db2.gz HFBSXWYEHGINBY-OAHLLOKOSA-N 1 0 306.406 2.801 20 10 DFCDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccco2)c1O ZINC000289476992 131389702 /nfs/dbraw/zinc/38/97/02/131389702.db2.gz QAARBQPMSRRBPL-UHFFFAOYSA-N 1 0 304.390 2.558 20 10 DFCDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000295310997 131896596 /nfs/dbraw/zinc/89/65/96/131896596.db2.gz YKKGHSVLCGWDGI-INIZCTEOSA-N 1 0 317.477 2.927 20 10 DFCDRO O=C(NCc1ccccc1O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000299600309 132112814 /nfs/dbraw/zinc/11/28/14/132112814.db2.gz VNXJTLWYSHCJBB-SFHVURJKSA-N 1 0 324.424 2.921 20 10 DFCDRO CO[C@@H](C[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000293052749 543019152 /nfs/dbraw/zinc/01/91/52/543019152.db2.gz RRHBWVVOFJCLTB-ZDUSSCGKSA-N 1 0 300.196 2.669 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000092076071 292164472 /nfs/dbraw/zinc/16/44/72/292164472.db2.gz QOOQKYYOIHDNJM-KRWDZBQOSA-N 1 0 310.397 2.764 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000273510232 292166118 /nfs/dbraw/zinc/16/61/18/292166118.db2.gz RNCUDIZURILRAP-URLQWDBASA-N 1 0 315.413 2.836 20 10 DFCDRO COc1cc(O)c(C[N@H+](CCO)C2CCCCC2)cc1OC ZINC000183375796 286238949 /nfs/dbraw/zinc/23/89/49/286238949.db2.gz VPQVKSZTYOEMBE-UHFFFAOYSA-N 1 0 309.406 2.536 20 10 DFCDRO CC[C@@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000134136432 286920674 /nfs/dbraw/zinc/92/06/74/286920674.db2.gz CSAKOGWGNRQQQZ-FRQCXROJSA-N 1 0 319.493 2.903 20 10 DFCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000273614777 292543074 /nfs/dbraw/zinc/54/30/74/292543074.db2.gz XATJYQZNWVPTTI-HOCLYGCPSA-N 1 0 314.429 2.917 20 10 DFCDRO CCOCc1ccccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000063255993 425900360 /nfs/dbraw/zinc/90/03/60/425900360.db2.gz WTSLRHMEOKHNIL-UHFFFAOYSA-N 1 0 315.369 2.947 20 10 DFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000069751455 425956584 /nfs/dbraw/zinc/95/65/84/425956584.db2.gz BKBAUWYTLSWPNI-UHFFFAOYSA-N 1 0 304.365 2.854 20 10 DFCDRO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000111236466 426039435 /nfs/dbraw/zinc/03/94/35/426039435.db2.gz WPIFGUOGGOEJQR-KRWDZBQOSA-N 1 0 315.413 2.881 20 10 DFCDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000113327767 426112436 /nfs/dbraw/zinc/11/24/36/426112436.db2.gz OATSOSGVWUUNFQ-CYBMUJFWSA-N 1 0 321.804 2.884 20 10 DFCDRO CCC(=O)N1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000128728208 426130062 /nfs/dbraw/zinc/13/00/62/426130062.db2.gz DZEXSGAQAFCSPM-UHFFFAOYSA-N 1 0 312.413 2.990 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)N(C)C3CC3)CC2)cc1 ZINC000130957122 426163855 /nfs/dbraw/zinc/16/38/55/426163855.db2.gz NEBRVKASOGZAFS-HNNXBMFYSA-N 1 0 317.477 2.736 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000132617697 426169699 /nfs/dbraw/zinc/16/96/99/426169699.db2.gz VPZGIYMBLUIWPU-AWEZNQCLSA-N 1 0 317.820 2.921 20 10 DFCDRO CCN1CCC[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000133027766 426171241 /nfs/dbraw/zinc/17/12/41/426171241.db2.gz JMHUZKXRAICESO-QGZVFWFLSA-N 1 0 317.477 2.738 20 10 DFCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCCO1 ZINC000132960688 426171347 /nfs/dbraw/zinc/17/13/47/426171347.db2.gz LLYCJPGLFMXQFC-LBPRGKRZSA-N 1 0 300.196 2.766 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)CCOC)cc1F ZINC000172672313 426229193 /nfs/dbraw/zinc/22/91/93/426229193.db2.gz AKXQXGLZCJBNBT-KRWDZBQOSA-N 1 0 312.429 2.549 20 10 DFCDRO CC[C@@H]([NH2+]CC[C@@H](C)O)c1cc(Br)ccc1O ZINC000085981940 426255697 /nfs/dbraw/zinc/25/56/97/426255697.db2.gz NCWOTFGSODOGFL-BXKDBHETSA-N 1 0 302.212 2.966 20 10 DFCDRO CC[N@H+](Cc1cc(Br)ccc1O)CC(C)(C)O ZINC000174425268 426256113 /nfs/dbraw/zinc/25/61/13/426256113.db2.gz MKBLVOOWVYUJAL-UHFFFAOYSA-N 1 0 302.212 2.748 20 10 DFCDRO O=C1OCC[C@H]1CCN1CCCc2cc(OC(F)F)ccc21 ZINC000120232327 426308158 /nfs/dbraw/zinc/30/81/58/426308158.db2.gz FDXBBUOVURRFQQ-LLVKDONJSA-N 1 0 311.328 2.994 20 10 DFCDRO Cc1ccc(O)c(C[N@H+](C)C[C@H]2CCCN2c2cccnn2)c1 ZINC000120401713 426311276 /nfs/dbraw/zinc/31/12/76/426311276.db2.gz NPWSKGZNGVBORO-MRXNPFEDSA-N 1 0 312.417 2.591 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000175709335 426322636 /nfs/dbraw/zinc/32/26/36/426322636.db2.gz HYKKJCYRBTTYTF-AWEZNQCLSA-N 1 0 320.408 2.652 20 10 DFCDRO CCC[N@H+](CC)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000175769501 426327203 /nfs/dbraw/zinc/32/72/03/426327203.db2.gz AQTOMLMQTJYPET-UHFFFAOYSA-N 1 0 320.481 2.626 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@@](C)(CCO)COC)cc1F ZINC000175855031 426334868 /nfs/dbraw/zinc/33/48/68/426334868.db2.gz ATJXEWXTLYCWNT-KRWDZBQOSA-N 1 0 312.429 2.549 20 10 DFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089125832 426280025 /nfs/dbraw/zinc/28/00/25/426280025.db2.gz JDCVSHPLUADGQW-OALUTQOASA-N 1 0 313.397 2.925 20 10 DFCDRO Cn1cc(C[N@H+](C)Cc2ccccc2O)c(-c2ccncc2)n1 ZINC000091974618 426346915 /nfs/dbraw/zinc/34/69/15/426346915.db2.gz BTTNUQLCQZVQOX-UHFFFAOYSA-N 1 0 308.385 2.820 20 10 DFCDRO COc1cccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1O ZINC000093712822 426357388 /nfs/dbraw/zinc/35/73/88/426357388.db2.gz NJOVRTPPLVELFA-JOCHJYFZSA-N 1 0 319.426 2.770 20 10 DFCDRO COC(=O)N1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000152986138 426364854 /nfs/dbraw/zinc/36/48/54/426364854.db2.gz OPYYPGLKLFKDTA-CYBMUJFWSA-N 1 0 305.422 2.634 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)c2cccs2)cc1F ZINC000153024275 426367016 /nfs/dbraw/zinc/36/70/16/426367016.db2.gz JJWDCTBFPBJFQV-INIZCTEOSA-N 1 0 308.422 2.951 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1O ZINC000123062702 426412069 /nfs/dbraw/zinc/41/20/69/426412069.db2.gz NRTJANDMTYONHW-OAHLLOKOSA-N 1 0 301.390 2.743 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1C ZINC000154915166 426459067 /nfs/dbraw/zinc/45/90/67/426459067.db2.gz QMSHGTFXZDZWKW-OAHLLOKOSA-N 1 0 300.406 2.513 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(C)cc1O ZINC000280146921 426507615 /nfs/dbraw/zinc/50/76/15/426507615.db2.gz PYDWLSACSHCOPN-ZBFHGGJFSA-N 1 0 321.417 2.663 20 10 DFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccc(C)cc2O)C1 ZINC000280214417 426521942 /nfs/dbraw/zinc/52/19/42/426521942.db2.gz UIBOCIZCTWEHON-DZGCQCFKSA-N 1 0 305.422 2.545 20 10 DFCDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186539602 426546039 /nfs/dbraw/zinc/54/60/39/426546039.db2.gz KVDSPGMUHXYRGY-KSRUKNBBSA-N 1 0 320.252 2.572 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@H+](C)CCc2ccncc2)c1O ZINC000194824848 426493028 /nfs/dbraw/zinc/49/30/28/426493028.db2.gz UWLMFLCKTHRTLU-UHFFFAOYSA-N 1 0 302.349 2.803 20 10 DFCDRO C[C@H](O)CC[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280092923 426502388 /nfs/dbraw/zinc/50/23/88/426502388.db2.gz AVDXHTDEFUTMEO-NSHDSACASA-N 1 0 304.356 2.974 20 10 DFCDRO Cc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c(O)c1O ZINC000177675306 426504492 /nfs/dbraw/zinc/50/44/92/426504492.db2.gz IVBDATFSHGWESE-UHFFFAOYSA-N 1 0 320.433 2.600 20 10 DFCDRO OCCCCCC[NH2+]Cc1cc(Br)ccc1O ZINC000224955142 426594116 /nfs/dbraw/zinc/59/41/16/426594116.db2.gz ZLRVKSIRUAWTOV-UHFFFAOYSA-N 1 0 302.212 2.797 20 10 DFCDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186816939 426597094 /nfs/dbraw/zinc/59/70/94/426597094.db2.gz BBXQKQWABUVDDN-AWEZNQCLSA-N 1 0 321.440 2.945 20 10 DFCDRO C[C@H]([NH2+]CC1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178282470 426600015 /nfs/dbraw/zinc/60/00/15/426600015.db2.gz XQXIBUQTOAVHQD-AWEZNQCLSA-N 1 0 322.424 2.740 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000186953125 426614152 /nfs/dbraw/zinc/61/41/52/426614152.db2.gz FAWQYIYCPWUWCH-UHFFFAOYSA-N 1 0 315.461 2.587 20 10 DFCDRO CSC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000187712119 426687146 /nfs/dbraw/zinc/68/71/46/426687146.db2.gz ZKGIIIVALNXVNT-KRWDZBQOSA-N 1 0 308.491 2.833 20 10 DFCDRO OC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1C(F)(F)F ZINC000289643744 426670323 /nfs/dbraw/zinc/67/03/23/426670323.db2.gz MLTABMWYXKBUMO-ZYHUDNBSSA-N 1 0 307.287 2.524 20 10 DFCDRO OC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1C(F)(F)F ZINC000289643732 426671297 /nfs/dbraw/zinc/67/12/97/426671297.db2.gz MLTABMWYXKBUMO-CMPLNLGQSA-N 1 0 307.287 2.524 20 10 DFCDRO CCOCc1cc(C[NH2+]CCc2nnc(C)s2)ccc1OC ZINC000289751162 426673738 /nfs/dbraw/zinc/67/37/38/426673738.db2.gz HLWOTVBASCIYEU-UHFFFAOYSA-N 1 0 321.446 2.724 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000290023555 426678939 /nfs/dbraw/zinc/67/89/39/426678939.db2.gz SYKBXCADLCYZBU-RHSMWYFYSA-N 1 0 303.450 2.537 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227690132 426629353 /nfs/dbraw/zinc/62/93/53/426629353.db2.gz PTFMPRIWDCMYCJ-VXGBXAGGSA-N 1 0 324.421 2.965 20 10 DFCDRO CC[C@@H](C[NH2+]Cc1cc(OC)ccc1O)NC(=O)OC(C)(C)C ZINC000227720688 426630855 /nfs/dbraw/zinc/63/08/55/426630855.db2.gz NYJLXSDTYHOWIK-ZDUSSCGKSA-N 1 0 324.421 2.794 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c(O)c1C ZINC000280943184 426690960 /nfs/dbraw/zinc/69/09/60/426690960.db2.gz JAFSUGOEFRUCMS-CYBMUJFWSA-N 1 0 311.447 2.627 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H](CN(C)C)c2ccccc2)c1 ZINC000237205865 426689065 /nfs/dbraw/zinc/68/90/65/426689065.db2.gz QTJVPBYEWNBCIU-KRWDZBQOSA-N 1 0 300.402 2.793 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000187884089 426702772 /nfs/dbraw/zinc/70/27/72/426702772.db2.gz INDDGNBZNADYOT-OWQGQXMQSA-N 1 0 322.424 2.616 20 10 DFCDRO CC(=O)c1cc(F)cc(CN(C)CCC[NH+]2CCCC2)c1O ZINC000281202102 426704314 /nfs/dbraw/zinc/70/43/14/426704314.db2.gz CODNIGAOQGQRRA-UHFFFAOYSA-N 1 0 308.397 2.652 20 10 DFCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)OCO2 ZINC000281296492 426709872 /nfs/dbraw/zinc/70/98/72/426709872.db2.gz PKXMAHCRDNPFRG-RRFJBIMHSA-N 1 0 319.401 2.636 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)N1CCCC1 ZINC000281411994 426718861 /nfs/dbraw/zinc/71/88/61/426718861.db2.gz QHYGFGPTSRPOIS-INIZCTEOSA-N 1 0 315.461 2.777 20 10 DFCDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000237490129 426692426 /nfs/dbraw/zinc/69/24/26/426692426.db2.gz FQEUYGFTTWNENF-GFCCVEGCSA-N 1 0 315.369 2.937 20 10 DFCDRO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000281565686 426723660 /nfs/dbraw/zinc/72/36/60/426723660.db2.gz KBIPIMHOACWULL-GDBMZVCRSA-N 1 0 324.440 2.864 20 10 DFCDRO CC[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCNC1=O ZINC000281653945 426737198 /nfs/dbraw/zinc/73/71/98/426737198.db2.gz BVKZCHYTKNAPPK-QGZVFWFLSA-N 1 0 310.397 2.770 20 10 DFCDRO COc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000245653481 426759679 /nfs/dbraw/zinc/75/96/79/426759679.db2.gz IEWGAICJSPJRNV-CVEARBPZSA-N 1 0 304.434 2.848 20 10 DFCDRO COc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1O ZINC000245719419 426764579 /nfs/dbraw/zinc/76/45/79/426764579.db2.gz HQRIWTTYISZUHH-CVEARBPZSA-N 1 0 304.434 2.848 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1O ZINC000245719547 426766027 /nfs/dbraw/zinc/76/60/27/426766027.db2.gz DFFWUQXDXWVRIU-BZUAXINKSA-N 1 0 321.417 2.559 20 10 DFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1O ZINC000179662429 426809349 /nfs/dbraw/zinc/80/93/49/426809349.db2.gz LHFGDVJLDVXUHH-UHFFFAOYSA-N 1 0 322.836 2.845 20 10 DFCDRO CNC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000179821544 426819312 /nfs/dbraw/zinc/81/93/12/426819312.db2.gz YFPZCDSYYUYKDZ-UHFFFAOYSA-N 1 0 315.461 2.635 20 10 DFCDRO CC[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccccc1O ZINC000274921015 426856691 /nfs/dbraw/zinc/85/66/91/426856691.db2.gz PBKFNYUHIKNPGJ-VDZJLULYSA-N 1 0 315.413 2.918 20 10 DFCDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000282473232 426915377 /nfs/dbraw/zinc/91/53/77/426915377.db2.gz UVUVKQITTDHZIA-FZKQIMNGSA-N 1 0 310.397 2.673 20 10 DFCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000282473242 426915874 /nfs/dbraw/zinc/91/58/74/426915874.db2.gz UVUVKQITTDHZIA-UGSOOPFHSA-N 1 0 310.397 2.673 20 10 DFCDRO COCC1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000295216908 426866648 /nfs/dbraw/zinc/86/66/48/426866648.db2.gz BDNKSZXQORVQCU-UHFFFAOYSA-N 1 0 318.461 2.818 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000291001137 426872896 /nfs/dbraw/zinc/87/28/96/426872896.db2.gz AWWOIMMGTJZYEJ-HKUYNNGSSA-N 1 0 313.397 2.657 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c1O ZINC000290957399 426873240 /nfs/dbraw/zinc/87/32/40/426873240.db2.gz RGSJWPFFTHYGSG-HNNXBMFYSA-N 1 0 301.390 2.743 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H]2CCOC)cc1 ZINC000291351846 426882983 /nfs/dbraw/zinc/88/29/83/426882983.db2.gz XICXTWVUBNUPGZ-SFHVURJKSA-N 1 0 306.450 2.770 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCC(=O)NC23CCC3)c1O ZINC000282834346 426925404 /nfs/dbraw/zinc/92/54/04/426925404.db2.gz CAPWWYKGSSLAIV-ZDUSSCGKSA-N 1 0 308.809 2.645 20 10 DFCDRO C[C@H](C[NH2+]Cc1cc(F)ccc1O)N(C)C(=O)OC(C)(C)C ZINC000283147826 426964921 /nfs/dbraw/zinc/96/49/21/426964921.db2.gz XGCBEVHQJDKHHI-LLVKDONJSA-N 1 0 312.385 2.876 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)c1 ZINC000248866965 427055689 /nfs/dbraw/zinc/05/56/89/427055689.db2.gz TWEJGVJLGHGYTD-XGWLTEMNSA-N 1 0 319.401 2.564 20 10 DFCDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)n1-c1ccccc1 ZINC000248594923 427018509 /nfs/dbraw/zinc/01/85/09/427018509.db2.gz HXIRLGINLGOUIG-SNRMKQJTSA-N 1 0 323.440 2.903 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC000292065972 427076922 /nfs/dbraw/zinc/07/69/22/427076922.db2.gz DCNOYOPVBOUOTL-KRWDZBQOSA-N 1 0 322.836 2.776 20 10 DFCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296225054 427119139 /nfs/dbraw/zinc/11/91/39/427119139.db2.gz AEHOLBBFKSTEGZ-DGCLKSJQSA-N 1 0 306.406 2.882 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000276767392 427119196 /nfs/dbraw/zinc/11/91/96/427119196.db2.gz HTWAPFUHYWIAFB-SFHVURJKSA-N 1 0 315.461 2.730 20 10 DFCDRO CO[C@H](C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268866371 427133835 /nfs/dbraw/zinc/13/38/35/427133835.db2.gz SVIIILSHRNGKMK-ZIAGYGMSSA-N 1 0 310.413 2.738 20 10 DFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C(C)C ZINC000268832872 427134097 /nfs/dbraw/zinc/13/40/97/427134097.db2.gz LCNUQMBFNOPYSX-LJQANCHMSA-N 1 0 320.477 2.656 20 10 DFCDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269015762 427145742 /nfs/dbraw/zinc/14/57/42/427145742.db2.gz ODNUYPBRIWRLOT-WBVHZDCISA-N 1 0 306.450 2.725 20 10 DFCDRO C[C@H](C(=O)NCc1ccc(N(C)C)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249926425 427149168 /nfs/dbraw/zinc/14/91/68/427149168.db2.gz ZZZVWGXKLOJPQC-QLFBSQMISA-N 1 0 303.450 2.630 20 10 DFCDRO CCN(C)C(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000269296298 427162774 /nfs/dbraw/zinc/16/27/74/427162774.db2.gz WSTIZULVSIHNEB-UHFFFAOYSA-N 1 0 305.466 2.831 20 10 DFCDRO Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296485756 427194018 /nfs/dbraw/zinc/19/40/18/427194018.db2.gz QGIIHPKNZXFRON-LJQANCHMSA-N 1 0 323.440 2.911 20 10 DFCDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000292626777 427195960 /nfs/dbraw/zinc/19/59/60/427195960.db2.gz JFTMBKCUMBRHON-CYBMUJFWSA-N 1 0 309.429 2.534 20 10 DFCDRO NC(=O)c1ccc(C[N@H+](Cc2ccccc2O)C2CC2)c(F)c1 ZINC000292844578 427201431 /nfs/dbraw/zinc/20/14/31/427201431.db2.gz SOMCANBAKTUQBW-UHFFFAOYSA-N 1 0 314.360 2.795 20 10 DFCDRO CCCOc1ccc(C[NH2+]CCc2nccnc2C)c(O)c1 ZINC000292974403 427209502 /nfs/dbraw/zinc/20/95/02/427209502.db2.gz KOGAPDLTWBDTLR-UHFFFAOYSA-N 1 0 301.390 2.612 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000183338275 427249697 /nfs/dbraw/zinc/24/96/97/427249697.db2.gz WBUQMOIQQKCWDQ-GDBMZVCRSA-N 1 0 322.424 2.882 20 10 DFCDRO COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(OC)ccc1O ZINC000183386962 427259709 /nfs/dbraw/zinc/25/97/09/427259709.db2.gz YGNJPCITBDESDA-UHOFOFEASA-N 1 0 319.401 2.707 20 10 DFCDRO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC000183654117 427310987 /nfs/dbraw/zinc/31/09/87/427310987.db2.gz LFOGSZXXQASFAO-QWHCGFSZSA-N 1 0 300.406 2.773 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@]2(O)CCc3ccccc32)c1O ZINC000269845234 427288333 /nfs/dbraw/zinc/28/83/33/427288333.db2.gz WMWDTJSLCQOTSE-LJQANCHMSA-N 1 0 313.397 2.715 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCOCC3)[C@@H]1C1CC1)OCO2 ZINC000293590941 427372775 /nfs/dbraw/zinc/37/27/75/427372775.db2.gz IMIVLXDTPGEKIS-KRWDZBQOSA-N 1 0 317.385 2.512 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](C)[C@H]3CCOC3)cc2)CC1 ZINC000297330304 427401481 /nfs/dbraw/zinc/40/14/81/427401481.db2.gz AERLFHWOBUIUAJ-KRWDZBQOSA-N 1 0 304.434 2.523 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278131095 427413307 /nfs/dbraw/zinc/41/33/07/427413307.db2.gz CFGLDQPNGJKEDF-GXTWGEPZSA-N 1 0 303.324 2.836 20 10 DFCDRO Cc1cc(C(=O)NC(C)(C)C[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000262495865 427360155 /nfs/dbraw/zinc/36/01/55/427360155.db2.gz CVZJVXHEDHXNQB-UHFFFAOYSA-N 1 0 303.381 2.700 20 10 DFCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000293754148 427426351 /nfs/dbraw/zinc/42/63/51/427426351.db2.gz QQBWSURCROVUAY-HUUCEWRRSA-N 1 0 305.466 2.956 20 10 DFCDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297698148 427431928 /nfs/dbraw/zinc/43/19/28/427431928.db2.gz MFOQLLVCYXYSIE-QLFBSQMISA-N 1 0 302.418 2.616 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)c1 ZINC000271180034 427436454 /nfs/dbraw/zinc/43/64/54/427436454.db2.gz KXVLFMGWJFJGBD-HNNXBMFYSA-N 1 0 319.401 2.566 20 10 DFCDRO CCCOc1ccc(C[N@H+](C)CCc2noc(C)n2)c(O)c1 ZINC000271189462 427437507 /nfs/dbraw/zinc/43/75/07/427437507.db2.gz ROOVIUTUEWMPCW-UHFFFAOYSA-N 1 0 305.378 2.547 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC000278424842 427439919 /nfs/dbraw/zinc/43/99/19/427439919.db2.gz GJAQBIZQTKDJRB-CVEARBPZSA-N 1 0 306.450 2.852 20 10 DFCDRO COc1c([O-])c(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278483253 427442405 /nfs/dbraw/zinc/44/24/05/427442405.db2.gz JQVICCKLAJTZFB-GXTWGEPZSA-N 1 0 324.377 2.602 20 10 DFCDRO OCC[C@]1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOC1 ZINC000278507232 427443807 /nfs/dbraw/zinc/44/38/07/427443807.db2.gz PAOFWPZAAGCYTQ-IBGZPJMESA-N 1 0 313.397 2.690 20 10 DFCDRO Cn1nncc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293978001 427509773 /nfs/dbraw/zinc/50/97/73/427509773.db2.gz BDSYAWPSIYQIID-SFHVURJKSA-N 1 0 322.412 2.984 20 10 DFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000184654197 427510536 /nfs/dbraw/zinc/51/05/36/427510536.db2.gz OSJUTQCATNRMDZ-CQSZACIVSA-N 1 0 303.450 2.537 20 10 DFCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1nnc2n1CCC2 ZINC000263654644 427530455 /nfs/dbraw/zinc/53/04/55/427530455.db2.gz FKRYNZFNGCYEGD-UHFFFAOYSA-N 1 0 320.396 2.887 20 10 DFCDRO C[C@H](O)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000279086735 427552111 /nfs/dbraw/zinc/55/21/11/427552111.db2.gz NCUTZMWFANRMNR-UWVGGRQHSA-N 1 0 302.212 2.966 20 10 DFCDRO C[C@@H](O)CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000279086730 427552932 /nfs/dbraw/zinc/55/29/32/427552932.db2.gz NCUTZMWFANRMNR-NXEZZACHSA-N 1 0 302.212 2.966 20 10 DFCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000279091672 427556298 /nfs/dbraw/zinc/55/62/98/427556298.db2.gz NMVGTLJXRXUKJO-SNVBAGLBSA-N 1 0 303.337 2.736 20 10 DFCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cn1 ZINC000279126073 427568336 /nfs/dbraw/zinc/56/83/36/427568336.db2.gz QOILINRCOFPWIB-SNVBAGLBSA-N 1 0 303.337 2.736 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1 ZINC000271759345 427585437 /nfs/dbraw/zinc/58/54/37/427585437.db2.gz YDEZIQXIYPYUMO-CQSZACIVSA-N 1 0 320.433 2.528 20 10 DFCDRO COc1cc(O)c(C[NH2+]CC2([C@H](C)CCO)CCC2)cc1OC ZINC000271857524 427590963 /nfs/dbraw/zinc/59/09/63/427590963.db2.gz VAXZMUKTZNFTSK-CYBMUJFWSA-N 1 0 323.433 2.688 20 10 DFCDRO CO[C@H](C)c1noc(CN(C)Cc2cccc(Cl)c2[O-])n1 ZINC000271868727 427592586 /nfs/dbraw/zinc/59/25/86/427592586.db2.gz RSCBVMJUFFSSTO-SECBINFHSA-N 1 0 311.769 2.768 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000271853990 427592826 /nfs/dbraw/zinc/59/28/26/427592826.db2.gz RYDODBFDEWFDBK-ZFWWWQNUSA-N 1 0 301.386 2.655 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c(O)c1 ZINC000185127878 427598496 /nfs/dbraw/zinc/59/84/96/427598496.db2.gz LGXGAOFDYBJUPD-DZGCQCFKSA-N 1 0 319.376 2.930 20 10 DFCDRO CCOC(=O)c1cc(C[N@H+](C)Cc2ccccc2O)[nH]c1C ZINC000294676684 427648537 /nfs/dbraw/zinc/64/85/37/427648537.db2.gz CZHAWSGXHSHQIG-UHFFFAOYSA-N 1 0 302.374 2.837 20 10 DFCDRO C[C@H](CCCO)C[NH2+]Cc1cc(Br)ccc1O ZINC000294734837 427649913 /nfs/dbraw/zinc/64/99/13/427649913.db2.gz GPPHWWKHTRMEFK-SNVBAGLBSA-N 1 0 302.212 2.653 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294861495 427664207 /nfs/dbraw/zinc/66/42/07/427664207.db2.gz TWVDUDVHROZSBD-AWEZNQCLSA-N 1 0 304.434 2.814 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@@H]3CCOC3)cc2)CC1 ZINC000294975563 427669249 /nfs/dbraw/zinc/66/92/49/427669249.db2.gz LZRKNCCBPBDLJN-KRWDZBQOSA-N 1 0 318.461 2.770 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]CCc2cnc3c(Cl)cnn3c2)c1 ZINC000295048608 427672368 /nfs/dbraw/zinc/67/23/68/427672368.db2.gz FMXHFLNQIUAYHH-UHFFFAOYSA-N 1 0 316.792 2.729 20 10 DFCDRO CC(C)OC[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000298721330 427687419 /nfs/dbraw/zinc/68/74/19/427687419.db2.gz LJECDQPLKNVFRO-SFHVURJKSA-N 1 0 308.466 2.749 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c(O)c1C ZINC000279561818 427703755 /nfs/dbraw/zinc/70/37/55/427703755.db2.gz RYZLHOYVGXRBLE-CQSZACIVSA-N 1 0 300.402 2.867 20 10 DFCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000295131215 427705073 /nfs/dbraw/zinc/70/50/73/427705073.db2.gz ONIQDVUQAILOAC-SNVBAGLBSA-N 1 0 321.295 2.568 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000279594308 427710307 /nfs/dbraw/zinc/71/03/07/427710307.db2.gz HVINABCPSHTNPH-ZDUSSCGKSA-N 1 0 302.340 2.992 20 10 DFCDRO CCOCc1cc(C[NH2+][C@H](CO)CC2CCC2)ccc1OC ZINC000279781694 427718742 /nfs/dbraw/zinc/71/87/42/427718742.db2.gz LLMFVEMWYQKGQF-KRWDZBQOSA-N 1 0 307.434 2.872 20 10 DFCDRO CC[C@H]([NH2+][C@H](C)[C@@H](C)N1CCOCC1)c1ccc(C)cc1O ZINC000280011170 427727178 /nfs/dbraw/zinc/72/71/78/427727178.db2.gz GSHPFPAUYKPYFZ-INMHGKMJSA-N 1 0 306.450 2.851 20 10 DFCDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1=O ZINC000186048364 427744403 /nfs/dbraw/zinc/74/44/03/427744403.db2.gz OQDYMFQWABEXEC-GUYCJALGSA-N 1 0 316.445 2.931 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@]2(CCOC2)O1 ZINC000369545196 427995678 /nfs/dbraw/zinc/99/56/78/427995678.db2.gz DOEBFDFEHZWQOP-ZBFHGGJFSA-N 1 0 311.809 2.816 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000359910087 428073519 /nfs/dbraw/zinc/07/35/19/428073519.db2.gz ZRWILMFMPSJQOB-ZBFHGGJFSA-N 1 0 304.434 2.821 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@]2(CCCOC2)O1 ZINC000369874679 428079248 /nfs/dbraw/zinc/07/92/48/428079248.db2.gz QNLVHUAPOQIONR-OALUTQOASA-N 1 0 318.461 2.913 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@]2(CCCOC2)O1 ZINC000369874681 428080038 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MBNCMLVBJVGCMM-ZOBUZTSGSA-N 1 0 304.434 2.686 20 10 DFCDRO Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000373142210 428518187 /nfs/dbraw/zinc/51/81/87/428518187.db2.gz SVQCKXWNSCMGKY-OAHLLOKOSA-N 1 0 304.369 2.577 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000373225544 428524728 /nfs/dbraw/zinc/52/47/28/428524728.db2.gz AOQDRUNPRINYAB-CYBMUJFWSA-N 1 0 301.390 2.514 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCN([C@@H]2CCSC2)CC1 ZINC000372601006 428473302 /nfs/dbraw/zinc/47/33/02/428473302.db2.gz QGCNYJVUSHAODE-GDBMZVCRSA-N 1 0 306.475 2.966 20 10 DFCDRO C[NH2+]CCc1ccccc1C(=O)N1CCN(C)c2ccccc21 ZINC000391379980 428477838 /nfs/dbraw/zinc/47/78/38/428477838.db2.gz VUGSUVBVAAUWQL-UHFFFAOYSA-N 1 0 309.413 2.545 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c1 ZINC000362043235 428612589 /nfs/dbraw/zinc/61/25/89/428612589.db2.gz DRZZKMLQRJZWNJ-INIZCTEOSA-N 1 0 301.390 2.780 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000373633877 428624285 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Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C2 ZINC000363854787 429000297 /nfs/dbraw/zinc/00/02/97/429000297.db2.gz ADVIEVZWWLQCIP-IINYFYTJSA-N 1 0 301.365 2.838 20 10 DFCDRO C[NH2+]CCc1ccccc1C(=O)N1CCc2cc(OC)ccc21 ZINC000423105045 429054200 /nfs/dbraw/zinc/05/42/00/429054200.db2.gz MXGNEPYRIYRTLL-UHFFFAOYSA-N 1 0 310.397 2.660 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c(O)c1 ZINC000363935477 429143644 /nfs/dbraw/zinc/14/36/44/429143644.db2.gz BGTRVLKDJFFYEI-CQSZACIVSA-N 1 0 301.390 2.551 20 10 DFCDRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000364290210 429176809 /nfs/dbraw/zinc/17/68/09/429176809.db2.gz LSEMAJKYIDPEIC-HNNXBMFYSA-N 1 0 300.406 2.692 20 10 DFCDRO CN1CCc2cc(CN[C@@H](c3ncc[nH]3)c3ccncc3)ccc21 ZINC000364383279 429194903 /nfs/dbraw/zinc/19/49/03/429194903.db2.gz IESKHOZXBIKADQ-GOSISDBHSA-N 1 0 319.412 2.676 20 10 DFCDRO COC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1cc(OC)ccc1O)C2 ZINC000364630384 429238731 /nfs/dbraw/zinc/23/87/31/429238731.db2.gz HCLGRXWFIGSECV-VBHSOAQHSA-N 1 0 319.401 2.737 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNc1nc(N(C)C)cc(C)[nH+]1 ZINC000490016727 429273354 /nfs/dbraw/zinc/27/33/54/429273354.db2.gz ZGDYNALEKPWRLY-UHFFFAOYSA-N 1 0 309.417 3.263 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)C[C@H]3CCOC3)CC2)cc1 ZINC000365720178 429364571 /nfs/dbraw/zinc/36/45/71/429364571.db2.gz SZZVVBAOQTZXRO-OAHLLOKOSA-N 1 0 304.434 2.632 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000367309886 429618766 /nfs/dbraw/zinc/61/87/66/429618766.db2.gz YWKMWNAQYDMXFG-NVXWUHKLSA-N 1 0 304.434 2.640 20 10 DFCDRO COC(=O)[C@H]1C[N@@H+]([C@H](C)c2cc(OC)ccc2O)CC12CCC2 ZINC000367371709 429635217 /nfs/dbraw/zinc/63/52/17/429635217.db2.gz QUGXZSJQQBUTMZ-IUODEOHRSA-N 1 0 319.401 2.737 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1O ZINC000367457444 429653024 /nfs/dbraw/zinc/65/30/24/429653024.db2.gz GMVWCRDMSDNXJU-HOTGVXAUSA-N 1 0 307.365 2.877 20 10 DFCDRO FC(F)(F)Oc1ccc(N2CCC([NH2+]C3COC3)CC2)cc1 ZINC000367268582 429609346 /nfs/dbraw/zinc/60/93/46/429609346.db2.gz AGMVCQLACCCWBC-UHFFFAOYSA-N 1 0 316.323 2.542 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000367667734 429695151 /nfs/dbraw/zinc/69/51/51/429695151.db2.gz CZRHCYOBGRXTOE-YQQAZPJKSA-N 1 0 304.434 2.638 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c(O)c1C ZINC000368329754 429831986 /nfs/dbraw/zinc/83/19/86/429831986.db2.gz DXHXIKFKIVRACS-HOCLYGCPSA-N 1 0 304.434 2.523 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000368586789 429871686 /nfs/dbraw/zinc/87/16/86/429871686.db2.gz ZPFYARURNSKXHX-DLBZAZTESA-N 1 0 310.397 2.756 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1F ZINC000194009902 276884032 /nfs/dbraw/zinc/88/40/32/276884032.db2.gz CODFUMHDRARXQB-KBRIMQKVSA-N 1 0 304.409 2.939 20 10 DFCDRO CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287628466 288038066 /nfs/dbraw/zinc/03/80/66/288038066.db2.gz KDACBSMCHWIVAA-AWEZNQCLSA-N 1 0 312.841 2.543 20 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CCOc1ccc(O)c(C[N@@H+]2CCCNC(=O)[C@H]2CC(C)C)c1 ZINC000293821912 335117913 /nfs/dbraw/zinc/11/79/13/335117913.db2.gz FVDLFEJHFIBPNY-MRXNPFEDSA-N 1 0 320.433 2.528 20 10 DFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000294766848 335127624 /nfs/dbraw/zinc/12/76/24/335127624.db2.gz YVYZOHSQQQXIAV-GOEBONIOSA-N 1 0 304.434 2.692 20 10 DFCDRO CC[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@H](O)C(F)F ZINC000295042920 335130007 /nfs/dbraw/zinc/13/00/07/335130007.db2.gz MSPKNMGEUDMYKF-KOLCDFICSA-N 1 0 324.165 2.649 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+](C)CC(C)(C)CO)c1O ZINC000294905858 335130411 /nfs/dbraw/zinc/13/04/11/335130411.db2.gz XQFHVOZIXAVFIM-UHFFFAOYSA-N 1 0 316.239 2.913 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)[C@H](CO)c2ccccc2)cc1OC ZINC000295132815 335132500 /nfs/dbraw/zinc/13/25/00/335132500.db2.gz YJISHHULIQXQQQ-OAHLLOKOSA-N 1 0 317.385 2.575 20 10 DFCDRO COC(=O)C1(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000295579450 335135915 /nfs/dbraw/zinc/13/59/15/335135915.db2.gz RXPRRRKWUBNJDS-UHFFFAOYSA-N 1 0 302.418 2.670 20 10 DFCDRO COc1cc(Cl)cc(C[N@H+](C)CC2CC[NH+](C)CC2)c1O ZINC000184688818 333363882 /nfs/dbraw/zinc/36/38/82/333363882.db2.gz MBBYMKXGTUHYIP-UHFFFAOYSA-N 1 0 312.841 2.828 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCNC(=O)CC2)C2CC2)cc1 ZINC000295609340 335136232 /nfs/dbraw/zinc/13/62/32/335136232.db2.gz VDTQNUKDRVJDEQ-MRXNPFEDSA-N 1 0 315.461 2.633 20 10 DFCDRO CN(C)[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000063255908 333446907 /nfs/dbraw/zinc/44/69/07/333446907.db2.gz PVCOGPQPDRPZKB-OAHLLOKOSA-N 1 0 314.385 2.513 20 10 DFCDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296471950 335142210 /nfs/dbraw/zinc/14/22/10/335142210.db2.gz NVQDBIFFTIGOMP-WODVXLOZSA-N 1 0 305.378 2.576 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCC3(CCOCC3)[C@H]1O)CC2 ZINC000296476074 335142293 /nfs/dbraw/zinc/14/22/93/335142293.db2.gz OUFRMFQSUHKXOF-RKVPGOIHSA-N 1 0 317.429 2.537 20 10 DFCDRO 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/nfs/dbraw/zinc/03/45/66/334034566.db2.gz OQJWZXQHULRHKM-ZDUSSCGKSA-N 1 0 316.380 2.906 20 10 DFCDRO C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1O ZINC000273463347 334047333 /nfs/dbraw/zinc/04/73/33/334047333.db2.gz INLLQLHYZPNNTC-NHYWBVRUSA-N 1 0 307.340 2.925 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276594598 334083033 /nfs/dbraw/zinc/08/30/33/334083033.db2.gz AMFYQMMRXXWXMY-UHFFFAOYSA-N 1 0 319.449 2.656 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1 ZINC000283018053 334138649 /nfs/dbraw/zinc/13/86/49/334138649.db2.gz MABHLDQVEGDJKW-GOSISDBHSA-N 1 0 301.386 2.841 20 10 DFCDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CCc3cccc(O)c31)C2 ZINC000296833280 334237086 /nfs/dbraw/zinc/23/70/86/334237086.db2.gz MQRNXJQBYLKAKX-ZBFHGGJFSA-N 1 0 311.381 2.981 20 10 DFCDRO CCn1nccc1CC[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000367120339 336029468 /nfs/dbraw/zinc/02/94/68/336029468.db2.gz FLCNYMKSZYQKNQ-UHFFFAOYSA-N 1 0 310.445 2.911 20 10 DFCDRO 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CCc1nnc2n1C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)CC2 ZINC000375852821 337021397 /nfs/dbraw/zinc/02/13/97/337021397.db2.gz XVHCTUXHTMKUIF-ZYHUDNBSSA-N 1 0 320.824 2.865 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000375972000 337024412 /nfs/dbraw/zinc/02/44/12/337024412.db2.gz CTIWZLPRUTUMJV-HOCLYGCPSA-N 1 0 300.406 2.847 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000375972001 337024417 /nfs/dbraw/zinc/02/44/17/337024417.db2.gz CTIWZLPRUTUMJV-ZBFHGGJFSA-N 1 0 300.406 2.847 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CCc3cc(C)no3)CC2)cc1 ZINC000376053922 337025898 /nfs/dbraw/zinc/02/58/98/337025898.db2.gz FYSDAVGEJKVYDB-UHFFFAOYSA-N 1 0 315.417 2.793 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+][C@H](CC)c1ccccc1O)CC2 ZINC000376317627 337031274 /nfs/dbraw/zinc/03/12/74/337031274.db2.gz ACQOHLIAXHIYFG-GXTWGEPZSA-N 1 0 300.406 2.602 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)c1 ZINC000376895030 337043347 /nfs/dbraw/zinc/04/33/47/337043347.db2.gz UYVZZRLPMVKMKF-XHSDSOJGSA-N 1 0 304.434 2.605 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000377684881 337058326 /nfs/dbraw/zinc/05/83/26/337058326.db2.gz YPFCSYKDVVQCEZ-CRAIPNDOSA-N 1 0 302.418 2.788 20 10 DFCDRO CCN(CC)c1ccc(CN2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000377693747 337058803 /nfs/dbraw/zinc/05/88/03/337058803.db2.gz HSDACLFUUUSKDD-RBUKOAKNSA-N 1 0 318.461 2.913 20 10 DFCDRO COCCCN1CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000378349294 337070580 /nfs/dbraw/zinc/07/05/80/337070580.db2.gz JEGMNFRDILVTGN-UHFFFAOYSA-N 1 0 306.450 2.553 20 10 DFCDRO CCc1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000378474230 337073733 /nfs/dbraw/zinc/07/37/33/337073733.db2.gz MFPZNLZSOZEDOZ-DZGCQCFKSA-N 1 0 313.449 2.572 20 10 DFCDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000378490566 337074217 /nfs/dbraw/zinc/07/42/17/337074217.db2.gz DUGMVCQJTJUUAB-HZPDHXFCSA-N 1 0 306.381 2.507 20 10 DFCDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]2)c(C)n1-c1cccc(C)c1 ZINC000178764300 337165076 /nfs/dbraw/zinc/16/50/76/337165076.db2.gz MEGNMORESOKRGI-MRXNPFEDSA-N 1 0 311.429 2.884 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1O ZINC000179590560 337170434 /nfs/dbraw/zinc/17/04/34/337170434.db2.gz IRDQWFCHNYCLJK-UHFFFAOYSA-N 1 0 316.445 2.925 20 10 DFCDRO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)no1 ZINC000180048899 337173424 /nfs/dbraw/zinc/17/34/24/337173424.db2.gz PVQHNVPCHVLYRH-LBPRGKRZSA-N 1 0 305.353 2.677 20 10 DFCDRO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000180621957 337176781 /nfs/dbraw/zinc/17/67/81/337176781.db2.gz MHKCCCAIRQIBRZ-DZGCQCFKSA-N 1 0 313.449 2.572 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)cc1 ZINC000184806435 337200319 /nfs/dbraw/zinc/20/03/19/337200319.db2.gz BWNNJSZBSOJMRE-UHFFFAOYSA-N 1 0 310.445 2.860 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c(O)c1 ZINC000186051285 337253038 /nfs/dbraw/zinc/25/30/38/337253038.db2.gz YCQJIISQFAGSQS-CABCVRRESA-N 1 0 312.417 2.810 20 10 DFCDRO CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Cl)ccc2O)C1 ZINC000190146132 337285176 /nfs/dbraw/zinc/28/51/76/337285176.db2.gz ONWNNEPQVKQBPW-QWHCGFSZSA-N 1 0 323.780 2.699 20 10 DFCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)COc2ccccc2O1 ZINC000527737542 337759522 /nfs/dbraw/zinc/75/95/22/337759522.db2.gz WABLQPMBGXRIOM-LJQANCHMSA-N 1 0 311.381 2.941 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000528016715 337784032 /nfs/dbraw/zinc/78/40/32/337784032.db2.gz UQDLLPPJDOZCEJ-CYBMUJFWSA-N 1 0 320.433 2.700 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c1 ZINC000529636478 340765853 /nfs/dbraw/zinc/76/58/53/340765853.db2.gz CSCGLRLZHFXFEM-SFHVURJKSA-N 1 0 315.369 2.721 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000246098073 341325232 /nfs/dbraw/zinc/32/52/32/341325232.db2.gz ALEXGLAPTSWCEX-AWEZNQCLSA-N 1 0 308.809 2.528 20 10 DFCDRO CCCNC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000158290015 519880048 /nfs/dbraw/zinc/88/00/48/519880048.db2.gz ZCWNKYVEABGMDB-AWEZNQCLSA-N 1 0 321.440 2.993 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c1 ZINC000266143613 521151934 /nfs/dbraw/zinc/15/19/34/521151934.db2.gz HWFIIJLIKGLNNY-GOSISDBHSA-N 1 0 319.401 2.998 20 10 DFCDRO CCOc1cccc(CN(CCOC)CC[NH+](CC)CC)c1O ZINC000271155408 521332538 /nfs/dbraw/zinc/33/25/38/521332538.db2.gz HRLDFYBNTDDNEU-UHFFFAOYSA-N 1 0 324.465 2.581 20 10 DFCDRO CC[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000119107183 522585633 /nfs/dbraw/zinc/58/56/33/522585633.db2.gz SKUMBSQOIJBDDI-MSOLQXFVSA-N 1 0 306.450 2.989 20 10 DFCDRO COc1cc(O)c(C[NH+]2CC(C)(C)OC(C)(C)C2)cc1OC ZINC000190413998 522774137 /nfs/dbraw/zinc/77/41/37/522774137.db2.gz WZWPFSJUXLMYRL-UHFFFAOYSA-N 1 0 309.406 2.799 20 10 DFCDRO COc1cc(O)c(C[NH2+]CC2(O)CCCCCC2)cc1OC ZINC000182397634 522778904 /nfs/dbraw/zinc/77/89/04/522778904.db2.gz KUNBZDNXLLQANG-UHFFFAOYSA-N 1 0 309.406 2.584 20 10 DFCDRO CCn1cc([C@H]2C[N@H+](Cc3cc(C)c(C)cc3O)CCO2)cn1 ZINC000189851173 523481859 /nfs/dbraw/zinc/48/18/59/523481859.db2.gz STISYQVIHUBEII-GOSISDBHSA-N 1 0 315.417 2.799 20 10 DFCDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000159303166 523611089 /nfs/dbraw/zinc/61/10/89/523611089.db2.gz PFGCILZKHSGEDV-QGZVFWFLSA-N 1 0 319.493 2.906 20 10 DFCDRO COCCO[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000188917224 524036864 /nfs/dbraw/zinc/03/68/64/524036864.db2.gz VZDBWGPQJQELBR-HNNXBMFYSA-N 1 0 301.386 2.783 20 10 DFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1C ZINC000237327710 524084566 /nfs/dbraw/zinc/08/45/66/524084566.db2.gz HFAIVFCUUBHACK-MRXNPFEDSA-N 1 0 312.417 2.552 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000366358957 524217035 /nfs/dbraw/zinc/21/70/35/524217035.db2.gz UIFQMJBNBUANAL-HKUYNNGSSA-N 1 0 323.440 2.918 20 10 DFCDRO Cc1cccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000182101778 524440585 /nfs/dbraw/zinc/44/05/85/524440585.db2.gz BFYGOBGVANBONT-IERDGZPVSA-N 1 0 303.427 2.910 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000180719897 524745142 /nfs/dbraw/zinc/74/51/42/524745142.db2.gz SVTULUAIWURACR-CJNGLKHVSA-N 1 0 301.390 2.680 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000182101078 524755359 /nfs/dbraw/zinc/75/53/59/524755359.db2.gz OIKBWYKGOZHXNT-OPAMFIHVSA-N 1 0 319.426 2.610 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000180406583 524864207 /nfs/dbraw/zinc/86/42/07/524864207.db2.gz KSGYRXBZKQUVGH-LBPRGKRZSA-N 1 0 309.715 2.853 20 10 DFCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1O ZINC000180655656 524866538 /nfs/dbraw/zinc/86/65/38/524866538.db2.gz WJKHDVJEUDEWSM-CZUORRHYSA-N 1 0 324.852 2.507 20 10 DFCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cccc(C)c2O)cc1 ZINC000180253237 525190355 /nfs/dbraw/zinc/19/03/55/525190355.db2.gz AEBRGTBLYCAQGP-QGZVFWFLSA-N 1 0 301.386 2.875 20 10 DFCDRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000181289158 525409388 /nfs/dbraw/zinc/40/93/88/525409388.db2.gz VYVTWQHTLBEJNB-OAHLLOKOSA-N 1 0 315.461 2.854 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(N2CCCCC2)cc1 ZINC000180491667 525419925 /nfs/dbraw/zinc/41/99/25/525419925.db2.gz LWXUJLQTOJDOTQ-LPHOPBHVSA-N 1 0 317.477 2.658 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)c1cccc(F)c1 ZINC000267160762 525450245 /nfs/dbraw/zinc/45/02/45/525450245.db2.gz FUHZRSYYXOGPLI-SGTLLEGYSA-N 1 0 301.361 2.972 20 10 DFCDRO Cc1cc(C(=O)NC2CC[NH2+]CC2)c(C)n1-c1cccc(C)c1 ZINC000262522389 526265040 /nfs/dbraw/zinc/26/50/40/526265040.db2.gz YDMUVEUCWXZJNH-UHFFFAOYSA-N 1 0 311.429 2.884 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000236544988 526341621 /nfs/dbraw/zinc/34/16/21/526341621.db2.gz RETJTGLLFABIRF-TZMCWYRMSA-N 1 0 314.223 2.938 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCSC1 ZINC000228731275 526342376 /nfs/dbraw/zinc/34/23/76/526342376.db2.gz ZWGQCEHFTIPBTP-SECBINFHSA-N 1 0 302.237 2.997 20 10 DFCDRO Oc1cccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000179891843 526365948 /nfs/dbraw/zinc/36/59/48/526365948.db2.gz HEKAHLXOHZTBNI-UHFFFAOYSA-N 1 0 302.349 2.559 20 10 DFCDRO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)n1 ZINC000180120510 526763081 /nfs/dbraw/zinc/76/30/81/526763081.db2.gz AOVHWFZENNYJIU-INIZCTEOSA-N 1 0 314.433 2.821 20 10 DFCDRO O=C1CCCCN1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180215179 526971162 /nfs/dbraw/zinc/97/11/62/526971162.db2.gz DDRQYRCBAKMKPW-UHFFFAOYSA-N 1 0 306.381 2.508 20 10 DFCDRO Nc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000163848938 527477043 /nfs/dbraw/zinc/47/70/43/527477043.db2.gz OVGWSSGDKCJMEQ-UHFFFAOYSA-N 1 0 323.440 2.724 20 10 DFCDRO CC(C)[N@H+](CCc1ccnn1C)Cc1ccc(N(C)C)cc1 ZINC000284126508 535074021 /nfs/dbraw/zinc/07/40/21/535074021.db2.gz VGCFYPRLRRSOFV-UHFFFAOYSA-N 1 0 300.450 2.939 20 10 DFCDRO CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[NH+](C)C ZINC000298180673 535401065 /nfs/dbraw/zinc/40/10/65/535401065.db2.gz GMWDJQAEVVIUPF-KRWDZBQOSA-N 1 0 303.450 2.584 20 10 DFCDRO COc1ccc(N2CC[NH+](CCOC3CCC3)CC2)cc1F ZINC000287775423 536699031 /nfs/dbraw/zinc/69/90/31/536699031.db2.gz NDCQERRXHVAYNZ-UHFFFAOYSA-N 1 0 308.397 2.525 20 10 DFCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(OC)c1O ZINC000273438729 536769601 /nfs/dbraw/zinc/76/96/01/536769601.db2.gz MLFFAXBDCIFMNM-DYVFJYSZSA-N 1 0 307.390 2.612 20 10 DFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737271643 599102262 /nfs/dbraw/zinc/10/22/62/599102262.db2.gz XJEFHPMLVUYVQM-UHFFFAOYSA-N 1 0 322.416 2.531 20 10 DFCDRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC000820431588 606996270 /nfs/dbraw/zinc/99/62/70/606996270.db2.gz GUFQMPLOIXYGDF-CYBMUJFWSA-N 1 0 322.416 2.784 20 10 DFCDRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1O ZINC000824293271 608870844 /nfs/dbraw/zinc/87/08/44/608870844.db2.gz IWCJQRXOGHGAHG-UHFFFAOYSA-N 1 0 323.400 2.983 20 10 DFCDRO COCCOc1ncccc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000273439462 536742918 /nfs/dbraw/zinc/74/29/18/536742918.db2.gz XZHZHRLRGAHUMQ-LBPRGKRZSA-N 1 0 320.364 2.802 20 10 DFCDRO COc1ccc(C[N@H+](C)Cc2cccc(OC)c2O)cc1O ZINC000092405120 185316580 /nfs/dbraw/zinc/31/65/80/185316580.db2.gz RCJNNSYKYUNYMH-UHFFFAOYSA-N 1 0 303.358 2.747 20 10 DFCDRO CCN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccc(F)cc1 ZINC000592480720 398431922 /nfs/dbraw/zinc/43/19/22/398431922.db2.gz KCOJNUQGOGQLCB-LBPRGKRZSA-N 1 0 316.380 2.525 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)cc1 ZINC000090057035 398477088 /nfs/dbraw/zinc/47/70/88/398477088.db2.gz PNGSJCHTOPNZDV-KDOFPFPSSA-N 1 0 306.450 2.581 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000090917690 398496767 /nfs/dbraw/zinc/49/67/67/398496767.db2.gz RUYSEBYIKFAGEP-KFKAGJAMSA-N 1 0 317.477 2.657 20 10 DFCDRO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000090951064 398498191 /nfs/dbraw/zinc/49/81/91/398498191.db2.gz LSFWDNCASRWPMO-MAUKXSAKSA-N 1 0 306.450 2.725 20 10 DFCDRO Nc1ccc(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000071700414 191010126 /nfs/dbraw/zinc/01/01/26/191010126.db2.gz NXLIZSRFCZSRSQ-LJQANCHMSA-N 1 0 323.440 2.765 20 10 DFCDRO COC[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000093528521 398640563 /nfs/dbraw/zinc/64/05/63/398640563.db2.gz WFWVTHZGNNBDRE-SFHVURJKSA-N 1 0 313.397 2.906 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ncccc3F)CC2)c1 ZINC000093687629 398642362 /nfs/dbraw/zinc/64/23/62/398642362.db2.gz KBVAKSRVPPBHHA-UHFFFAOYSA-N 1 0 301.365 2.557 20 10 DFCDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000074723172 398761932 /nfs/dbraw/zinc/76/19/32/398761932.db2.gz GYJABXHPKSUWTR-QGZVFWFLSA-N 1 0 303.333 2.632 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1 ZINC000093016314 193194476 /nfs/dbraw/zinc/19/44/76/193194476.db2.gz QZDDMYSQPLBFJE-UHFFFAOYSA-N 1 0 317.458 2.865 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000093272695 193222709 /nfs/dbraw/zinc/22/27/09/193222709.db2.gz UCIUQWUVBJZOOP-UHFFFAOYSA-N 1 0 312.417 2.591 20 10 DFCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000093415235 193246736 /nfs/dbraw/zinc/24/67/36/193246736.db2.gz FANNISBHTKCQQS-IBGZPJMESA-N 1 0 314.429 2.927 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H]2COc3c(cccc3OC)C2)c1 ZINC000019635408 182134175 /nfs/dbraw/zinc/13/41/75/182134175.db2.gz FVNJIIAPJOLZQA-CQSZACIVSA-N 1 0 315.369 2.503 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Br)ccc1O ZINC000042544453 183283272 /nfs/dbraw/zinc/28/32/72/183283272.db2.gz INSANUNAYGSGPU-YPMHNXCESA-N 1 0 313.239 2.900 20 10 DFCDRO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000052086454 542446486 /nfs/dbraw/zinc/44/64/86/542446486.db2.gz RGKODQNQUXRXNQ-KRWDZBQOSA-N 1 0 310.397 2.788 20 10 DFCDRO Cc1csc([C@@H]2CN(Cc3cccc(F)c3O)CCO2)n1 ZINC000272223625 130009056 /nfs/dbraw/zinc/00/90/56/130009056.db2.gz CLYKVISDBFOTKS-ZDUSSCGKSA-N 1 0 308.378 2.870 20 10 DFCDRO [O-]c1c(F)cccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000272241934 130011652 /nfs/dbraw/zinc/01/16/52/130011652.db2.gz GSTSOGWUKCQUTG-UHFFFAOYSA-N 1 0 322.424 2.608 20 10 DFCDRO O=C(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)NCC1CC1 ZINC000272388818 130026273 /nfs/dbraw/zinc/02/62/73/130026273.db2.gz ZHCPVLVBHKEHSB-UHFFFAOYSA-N 1 0 310.397 2.675 20 10 DFCDRO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccccc1O ZINC000272900295 130072049 /nfs/dbraw/zinc/07/20/49/130072049.db2.gz UYBXQDUZOVIEAD-AWEZNQCLSA-N 1 0 319.426 2.658 20 10 DFCDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000273077329 130088279 /nfs/dbraw/zinc/08/82/79/130088279.db2.gz PRWXLQRHZROZHO-YEJXKQKISA-N 1 0 303.427 2.916 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c(O)c1C ZINC000273387083 130116416 /nfs/dbraw/zinc/11/64/16/130116416.db2.gz JTZSSCYTTWBGKO-OAHLLOKOSA-N 1 0 306.450 2.506 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000273470874 130124975 /nfs/dbraw/zinc/12/49/75/130124975.db2.gz JTCYQKFUGCNLTK-GXTWGEPZSA-N 1 0 307.390 2.737 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c(O)c1 ZINC000273476758 130126294 /nfs/dbraw/zinc/12/62/94/130126294.db2.gz KYWAZBXIRGGEGC-QILLFSRXSA-N 1 0 315.413 2.836 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC000273550396 130134908 /nfs/dbraw/zinc/13/49/08/130134908.db2.gz FTJOQFHDFNGTDY-KKUMJFAQSA-N 1 0 304.434 2.998 20 10 DFCDRO C[C@H](CCO)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273587160 130140744 /nfs/dbraw/zinc/14/07/44/130140744.db2.gz OCOWWPNGCRRQEO-ZJUUUORDSA-N 1 0 302.212 2.824 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1cc(Br)ccc1O ZINC000273587158 130140931 /nfs/dbraw/zinc/14/09/31/130140931.db2.gz OCOWWPNGCRRQEO-VHSXEESVSA-N 1 0 302.212 2.824 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)c(O)c1 ZINC000274415956 130232463 /nfs/dbraw/zinc/23/24/63/130232463.db2.gz SNQRSRNHYUIPOZ-LBPRGKRZSA-N 1 0 303.431 2.896 20 10 DFCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000274596575 130249629 /nfs/dbraw/zinc/24/96/29/130249629.db2.gz GMAFRJDUEMBCBC-UONOGXRCSA-N 1 0 306.406 2.890 20 10 DFCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCCO[C@@H]1c1ccncc1 ZINC000275448106 130320574 /nfs/dbraw/zinc/32/05/74/130320574.db2.gz GISFQANHSSMRDZ-DOTOQJQBSA-N 1 0 302.349 2.936 20 10 DFCDRO Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000275713246 130369062 /nfs/dbraw/zinc/36/90/62/130369062.db2.gz YMYOUFHOPLNEOD-BZNIZROVSA-N 1 0 321.808 2.789 20 10 DFCDRO CC[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000278536911 130700159 /nfs/dbraw/zinc/70/01/59/130700159.db2.gz UQUICPRKEWVCDL-GOSISDBHSA-N 1 0 317.477 2.658 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C)c1O ZINC000284649698 131101077 /nfs/dbraw/zinc/10/10/77/131101077.db2.gz OQMXUGBKQUCSJC-BBRMVZONSA-N 1 0 321.808 2.707 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cc(F)ccc1O ZINC000285644000 131188781 /nfs/dbraw/zinc/18/87/81/131188781.db2.gz LCYLDWMVBQGEQO-CKUKBARFSA-N 1 0 308.397 2.875 20 10 DFCDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000285646469 131189602 /nfs/dbraw/zinc/18/96/02/131189602.db2.gz YCFLHOPSRCRFNH-MNOVXSKESA-N 1 0 314.223 2.917 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000285668751 131191564 /nfs/dbraw/zinc/19/15/64/131191564.db2.gz UDEYMVRFNOABAR-MLGOLLRUSA-N 1 0 320.408 2.793 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000285668754 131192011 /nfs/dbraw/zinc/19/20/11/131192011.db2.gz UDEYMVRFNOABAR-WBMJQRKESA-N 1 0 320.408 2.793 20 10 DFCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000286342595 131231760 /nfs/dbraw/zinc/23/17/60/131231760.db2.gz GOFKOEDUXHLKEO-QGZVFWFLSA-N 1 0 303.450 2.633 20 10 DFCDRO COc1cccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)c1O ZINC000288654025 131333840 /nfs/dbraw/zinc/33/38/40/131333840.db2.gz VHECGFMVFFCOGO-CQSZACIVSA-N 1 0 303.333 2.633 20 10 DFCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)cc(OC)c1O ZINC000289220692 131366781 /nfs/dbraw/zinc/36/67/81/131366781.db2.gz XMEXJRCSQJSLLF-UHFFFAOYSA-N 1 0 303.358 2.747 20 10 DFCDRO COc1cccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1O ZINC000289464513 131388880 /nfs/dbraw/zinc/38/88/80/131388880.db2.gz OTDXNGWCLFJIPT-PWSUYJOCSA-N 1 0 305.296 2.600 20 10 DFCDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccccc2O)C1 ZINC000299506198 132108682 /nfs/dbraw/zinc/10/86/82/132108682.db2.gz MSEDGFHSBXUYQJ-OAHLLOKOSA-N 1 0 319.449 2.704 20 10 DFCDRO COc1cccc(CNc2ccc(OCC[NH+](C)C)cc2)c1O ZINC000119679252 132135359 /nfs/dbraw/zinc/13/53/59/132135359.db2.gz BYXAEXJFSKIMTP-UHFFFAOYSA-N 1 0 316.401 2.953 20 10 DFCDRO CC[C@H](C)N(C)CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000230934338 542893459 /nfs/dbraw/zinc/89/34/59/542893459.db2.gz IHOIGBPZHNSJIM-NSHDSACASA-N 1 0 300.830 2.874 20 10 DFCDRO Cc1cc(C[NH+]2CCC(C3OCCO3)CC2)ccc1N(C)C ZINC000293003503 543018255 /nfs/dbraw/zinc/01/82/55/543018255.db2.gz GWTGBKDXLIHKGS-UHFFFAOYSA-N 1 0 304.434 2.646 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000364450670 292164439 /nfs/dbraw/zinc/16/44/39/292164439.db2.gz WMDNMZXHDBMFSA-LJQANCHMSA-N 1 0 308.381 2.796 20 10 DFCDRO CC[C@@H]([NH2+]CCCCO)c1cc(Br)ccc1O ZINC000193275481 286906106 /nfs/dbraw/zinc/90/61/06/286906106.db2.gz UEESEBRANNFDDB-GFCCVEGCSA-N 1 0 302.212 2.968 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000152839031 287050259 /nfs/dbraw/zinc/05/02/59/287050259.db2.gz FBVVIGLIGAAUDT-VKJFTORMSA-N 1 0 304.434 2.741 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000292006632 287057832 /nfs/dbraw/zinc/05/78/32/287057832.db2.gz YEJYLWPYGHSTQP-KBRIMQKVSA-N 1 0 324.490 2.759 20 10 DFCDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1C ZINC000299332520 229056242 /nfs/dbraw/zinc/05/62/42/229056242.db2.gz LAOKURAGEVVPMH-GOSISDBHSA-N 1 0 324.424 2.894 20 10 DFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000066652531 425905655 /nfs/dbraw/zinc/90/56/55/425905655.db2.gz BJWBYCKLOADJJC-CQSZACIVSA-N 1 0 317.458 2.837 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@H]3CCO[C@]4(CCSC4)C3)ccc21 ZINC000125095755 425953454 /nfs/dbraw/zinc/95/34/54/425953454.db2.gz LNOYCBQVMGXWMU-FUHWJXTLSA-N 1 0 318.486 2.823 20 10 DFCDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000126680188 426032022 /nfs/dbraw/zinc/03/20/22/426032022.db2.gz RFRDNWCQVIEWFI-QGZVFWFLSA-N 1 0 310.445 2.970 20 10 DFCDRO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1O ZINC000109768897 426032525 /nfs/dbraw/zinc/03/25/25/426032525.db2.gz CPNYRMNCKWGCNA-RBSFLKMASA-N 1 0 304.434 2.717 20 10 DFCDRO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccccc1O ZINC000109768901 426032561 /nfs/dbraw/zinc/03/25/61/426032561.db2.gz UUFRWSXUKVITPV-FMKPAKJESA-N 1 0 304.434 2.907 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(NC(N)=O)cc1 ZINC000126992419 426045422 /nfs/dbraw/zinc/04/54/22/426045422.db2.gz UZWTXVOTRFOTEC-GFCCVEGCSA-N 1 0 311.385 2.963 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@H](c2ccco2)N(C)C)cc1F ZINC000113313149 426111794 /nfs/dbraw/zinc/11/17/94/426111794.db2.gz WQJCZLHOZZVDMQ-MRXNPFEDSA-N 1 0 305.397 2.877 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc1F ZINC000113337564 426112793 /nfs/dbraw/zinc/11/27/93/426112793.db2.gz CEFLNUKZWPYUKH-INIZCTEOSA-N 1 0 302.393 2.585 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000113343794 426112843 /nfs/dbraw/zinc/11/28/43/426112843.db2.gz RAMVZQWKMYSRKY-OAHLLOKOSA-N 1 0 319.449 2.852 20 10 DFCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)Cc1ccccc1O ZINC000077644848 426141502 /nfs/dbraw/zinc/14/15/02/426141502.db2.gz KBPZIJKCJGVVBG-MRXNPFEDSA-N 1 0 319.449 2.798 20 10 DFCDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131179661 426163867 /nfs/dbraw/zinc/16/38/67/426163867.db2.gz AMDHVJUYRIHKNK-QVKFZJNVSA-N 1 0 308.491 2.876 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)cc1 ZINC000151358961 426291897 /nfs/dbraw/zinc/29/18/97/426291897.db2.gz YUNKPXJRGPRRAR-MRXNPFEDSA-N 1 0 319.493 2.640 20 10 DFCDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1O ZINC000151352192 426291900 /nfs/dbraw/zinc/29/19/00/426291900.db2.gz LRYPOYMBRZDGCM-YOEHRIQHSA-N 1 0 323.458 2.935 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000151386254 426292804 /nfs/dbraw/zinc/29/28/04/426292804.db2.gz USUPQVYFMPIJPX-RHSMWYFYSA-N 1 0 323.458 2.935 20 10 DFCDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1c(O)cccc1Cl ZINC000120159158 426307453 /nfs/dbraw/zinc/30/74/53/426307453.db2.gz PPYMXMHAFFPRBF-UHFFFAOYSA-N 1 0 322.792 2.857 20 10 DFCDRO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)Cc1ccccc1O ZINC000121136928 426321658 /nfs/dbraw/zinc/32/16/58/426321658.db2.gz OGEDUUVCJGASBK-OAHLLOKOSA-N 1 0 324.424 2.797 20 10 DFCDRO Oc1ccc2ccccc2c1C[NH+]1CCC(n2cncn2)CC1 ZINC000152058309 426324453 /nfs/dbraw/zinc/32/44/53/426324453.db2.gz VDBYZLUGXNGOKF-UHFFFAOYSA-N 1 0 308.385 2.974 20 10 DFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070161 426346971 /nfs/dbraw/zinc/34/69/71/426346971.db2.gz FBDJFZWCGTVXCM-GFCCVEGCSA-N 1 0 306.797 2.549 20 10 DFCDRO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152601324 426347588 /nfs/dbraw/zinc/34/75/88/426347588.db2.gz NWZGFJCUDCEYKW-CQSZACIVSA-N 1 0 323.456 2.653 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000092662323 426351182 /nfs/dbraw/zinc/35/11/82/426351182.db2.gz RAQJSIXWPKDJCG-KRWDZBQOSA-N 1 0 305.418 2.861 20 10 DFCDRO C[C@](CO)([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000152772848 426353174 /nfs/dbraw/zinc/35/31/74/426353174.db2.gz NTLZAVFGCIFUPV-QGZVFWFLSA-N 1 0 307.390 2.542 20 10 DFCDRO CCN(CC)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152787386 426354469 /nfs/dbraw/zinc/35/44/69/426354469.db2.gz GEVOYYVOGPMZQV-HNNXBMFYSA-N 1 0 323.456 2.655 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1F ZINC000093808736 426357287 /nfs/dbraw/zinc/35/72/87/426357287.db2.gz IMVPGMYUFGVSJL-CQSZACIVSA-N 1 0 321.440 2.759 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1O ZINC000093691051 426357920 /nfs/dbraw/zinc/35/79/20/426357920.db2.gz FCGJIFBVQHWRJN-INIZCTEOSA-N 1 0 314.385 2.839 20 10 DFCDRO Cc1nsc(N2CCC[N@H+](Cc3cc(C)ccc3O)CC2)n1 ZINC000093717103 426358001 /nfs/dbraw/zinc/35/80/01/426358001.db2.gz MVIFRXGNOQBUPZ-UHFFFAOYSA-N 1 0 318.446 2.573 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1O ZINC000093691055 426358161 /nfs/dbraw/zinc/35/81/61/426358161.db2.gz FCGJIFBVQHWRJN-MRXNPFEDSA-N 1 0 314.385 2.839 20 10 DFCDRO COc1cccc(CN2CCC([N@@H+]3CCC[C@H]3C)CC2)c1O ZINC000093715919 426358723 /nfs/dbraw/zinc/35/87/23/426358723.db2.gz RCUOJSYRIZJCJL-CQSZACIVSA-N 1 0 304.434 2.850 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cc1 ZINC000153151834 426372210 /nfs/dbraw/zinc/37/22/10/426372210.db2.gz ITOGADOGXDXDJW-SJORKVTESA-N 1 0 319.493 2.762 20 10 DFCDRO CC[C@@H]([NH2+]C1CCN(CCOC)CC1)c1ccc(N(C)C)cc1 ZINC000154851727 426457786 /nfs/dbraw/zinc/45/77/86/426457786.db2.gz BUBCWKMHACVDSJ-LJQANCHMSA-N 1 0 319.493 2.904 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCc2ccccc2)c1 ZINC000186307385 426501987 /nfs/dbraw/zinc/50/19/87/426501987.db2.gz WEZVMDUNJWBZCO-HNNXBMFYSA-N 1 0 312.413 2.710 20 10 DFCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000280400521 426565961 /nfs/dbraw/zinc/56/59/61/426565961.db2.gz XSDPSLZUDRXRGX-LIRRHRJNSA-N 1 0 313.397 2.925 20 10 DFCDRO COc1ccc(O)c(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000224803833 426594970 /nfs/dbraw/zinc/59/49/70/426594970.db2.gz VCYNCBNXSUENOV-GFCCVEGCSA-N 1 0 324.421 2.794 20 10 DFCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000289641156 426671429 /nfs/dbraw/zinc/67/14/29/426671429.db2.gz MKALRMSAFMPJKA-BBRMVZONSA-N 1 0 324.852 2.649 20 10 DFCDRO CCOc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000289681320 426673444 /nfs/dbraw/zinc/67/34/44/426673444.db2.gz FAPBGAPYEKLBMG-WMLDXEAASA-N 1 0 304.434 2.850 20 10 DFCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000289866206 426675723 /nfs/dbraw/zinc/67/57/23/426675723.db2.gz GUIMTEPGYFFPFY-SJORKVTESA-N 1 0 303.450 2.537 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000289946237 426677488 /nfs/dbraw/zinc/67/74/88/426677488.db2.gz UPHAHJKMSSZYMX-QGZVFWFLSA-N 1 0 308.397 2.563 20 10 DFCDRO CCCC[N@H+](C)CC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000236709167 426678427 /nfs/dbraw/zinc/67/84/27/426678427.db2.gz AYBPLLJSHQWBDE-UHFFFAOYSA-N 1 0 317.477 2.782 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCCc3occc3C2)cc1OC ZINC000289998523 426678905 /nfs/dbraw/zinc/67/89/05/426678905.db2.gz CWKIDRNFAOHWPV-UHFFFAOYSA-N 1 0 303.358 2.951 20 10 DFCDRO COc1cc(C[NH2+]Cc2ccccc2O)cc(OC)c1OC ZINC000237122457 426689790 /nfs/dbraw/zinc/68/97/90/426689790.db2.gz SGSSVJKXDAVREQ-UHFFFAOYSA-N 1 0 303.358 2.708 20 10 DFCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)OCO2 ZINC000281296475 426708404 /nfs/dbraw/zinc/70/84/04/426708404.db2.gz PKXMAHCRDNPFRG-KFWWJZLASA-N 1 0 319.401 2.636 20 10 DFCDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000290210189 426717989 /nfs/dbraw/zinc/71/79/89/426717989.db2.gz PWHTVISVOKDZMA-QZTJIDSGSA-N 1 0 315.461 2.537 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000290093065 426692331 /nfs/dbraw/zinc/69/23/31/426692331.db2.gz HCSZYOHBYZKZEH-CQSZACIVSA-N 1 0 303.333 2.633 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)Cc2cnc(C)s2)cc1OC ZINC000179439349 426790191 /nfs/dbraw/zinc/79/01/91/426790191.db2.gz IUEMBTHBUYWEQQ-UHFFFAOYSA-N 1 0 308.403 2.806 20 10 DFCDRO CC[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCNC1=O ZINC000281653938 426737285 /nfs/dbraw/zinc/73/72/85/426737285.db2.gz BVKZCHYTKNAPPK-KRWDZBQOSA-N 1 0 310.397 2.770 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000179580241 426801351 /nfs/dbraw/zinc/80/13/51/426801351.db2.gz IBBYRIKARWPWAQ-SFHVURJKSA-N 1 0 306.450 2.506 20 10 DFCDRO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(OC)c1O ZINC000246124977 426801684 /nfs/dbraw/zinc/80/16/84/426801684.db2.gz ACRUJLXHPZRIHU-SNPRPXQTSA-N 1 0 319.401 2.707 20 10 DFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1O ZINC000179590469 426806087 /nfs/dbraw/zinc/80/60/87/426806087.db2.gz OPMUKTIQZMJQDD-UHFFFAOYSA-N 1 0 310.825 2.654 20 10 DFCDRO C[C@H](c1ccccc1)[N@H+](CCOCCO)Cc1ccccc1O ZINC000179643938 426809184 /nfs/dbraw/zinc/80/91/84/426809184.db2.gz XFGAMDVUAYZQGD-MRXNPFEDSA-N 1 0 315.413 2.964 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000179671440 426812309 /nfs/dbraw/zinc/81/23/09/426812309.db2.gz HDAPRXMDACYOST-MRXNPFEDSA-N 1 0 314.385 2.574 20 10 DFCDRO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1O ZINC000282521481 426918735 /nfs/dbraw/zinc/91/87/35/426918735.db2.gz TZSTUTYMWKMKIW-UHFFFAOYSA-N 1 0 318.377 2.799 20 10 DFCDRO CCCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](C)CC1 ZINC000282687893 426921437 /nfs/dbraw/zinc/92/14/37/426921437.db2.gz DRTJMZUCCOMZQH-UHFFFAOYSA-N 1 0 319.449 2.798 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@H]1[C@@H]1CCCO1)OCO2 ZINC000290947662 426871155 /nfs/dbraw/zinc/87/11/55/426871155.db2.gz QKQNXNLTYWBBNV-WMLDXEAASA-N 1 0 317.385 2.654 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c(O)c1 ZINC000291369155 426882251 /nfs/dbraw/zinc/88/22/51/426882251.db2.gz ZEKQBICUMVTRAS-HNNXBMFYSA-N 1 0 301.390 2.825 20 10 DFCDRO CC(=O)c1cc(F)cc(CN(C)[C@@H](CO)c2ccccc2)c1O ZINC000267485978 426883736 /nfs/dbraw/zinc/88/37/36/426883736.db2.gz LRFLMBRXJLDJMN-KRWDZBQOSA-N 1 0 317.360 2.899 20 10 DFCDRO CCCC[N@H+](Cc1ccc(OC)nn1)Cc1ccccc1O ZINC000282365982 426892434 /nfs/dbraw/zinc/89/24/34/426892434.db2.gz DQPQVNCGEOXRNA-UHFFFAOYSA-N 1 0 301.390 2.993 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1OC ZINC000291503081 426898348 /nfs/dbraw/zinc/89/83/48/426898348.db2.gz HPNUNXKHLNZYDW-PBHICJAKSA-N 1 0 321.417 2.799 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000282386685 426899107 /nfs/dbraw/zinc/89/91/07/426899107.db2.gz XSDPZQSBHHSPKX-UHFFFAOYSA-N 1 0 303.431 2.916 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1O ZINC000283065996 426945788 /nfs/dbraw/zinc/94/57/88/426945788.db2.gz UINSCZIYXNIIKJ-CQSZACIVSA-N 1 0 301.390 2.692 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](CCO)C2CCOCC2)cc1 ZINC000276085520 426981715 /nfs/dbraw/zinc/98/17/15/426981715.db2.gz XMTTYEQDNAOLFY-UHFFFAOYSA-N 1 0 306.450 2.506 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](CCO)C2CCOCC2)cc1F ZINC000276090786 426982294 /nfs/dbraw/zinc/98/22/94/426982294.db2.gz XYGXNHCNYBMBNA-UHFFFAOYSA-N 1 0 324.440 2.645 20 10 DFCDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(C)ccc1O ZINC000282849767 426929426 /nfs/dbraw/zinc/92/94/26/426929426.db2.gz DIQKOABOWMQASU-UHFFFAOYSA-N 1 0 318.442 2.900 20 10 DFCDRO COc1cccc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1O ZINC000282971215 426934423 /nfs/dbraw/zinc/93/44/23/426934423.db2.gz LHYWCAPLHVEFPD-INIZCTEOSA-N 1 0 301.386 2.841 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000283005324 426936993 /nfs/dbraw/zinc/93/69/93/426936993.db2.gz GORMPTXTRAUOND-MPGHIAIKSA-N 1 0 319.445 2.919 20 10 DFCDRO Cc1cc([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)[nH]n1 ZINC000283038913 426937239 /nfs/dbraw/zinc/93/72/39/426937239.db2.gz NUGZMQKSIYWLGK-LBPRGKRZSA-N 1 0 315.373 2.532 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000295551794 427003685 /nfs/dbraw/zinc/00/36/85/427003685.db2.gz PLOITOKNOLZOQC-GOSISDBHSA-N 1 0 318.461 2.913 20 10 DFCDRO CN(C)C(=O)c1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000295914966 427016633 /nfs/dbraw/zinc/01/66/33/427016633.db2.gz JLFXVVNXHSWSON-INIZCTEOSA-N 1 0 310.397 2.871 20 10 DFCDRO CN(CCC[NH2+][C@@H]1CCc2cccc(O)c21)CC(F)(F)F ZINC000295950015 427022877 /nfs/dbraw/zinc/02/28/77/427022877.db2.gz LINPCAHHZQBDJH-GFCCVEGCSA-N 1 0 302.340 2.853 20 10 DFCDRO O=C(NCC[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1F ZINC000295982102 427036080 /nfs/dbraw/zinc/03/60/80/427036080.db2.gz NFSSLHLHZINMRR-HNNXBMFYSA-N 1 0 314.360 2.538 20 10 DFCDRO COC[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268841157 427135961 /nfs/dbraw/zinc/13/59/61/427135961.db2.gz IDCONWBBOFARCG-MCIONIFRSA-N 1 0 310.413 2.564 20 10 DFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C(C)C ZINC000268832869 427136219 /nfs/dbraw/zinc/13/62/19/427136219.db2.gz LCNUQMBFNOPYSX-IBGZPJMESA-N 1 0 320.477 2.656 20 10 DFCDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268943520 427139104 /nfs/dbraw/zinc/13/91/04/427139104.db2.gz ATLPOWGMPZHVGB-KKUMJFAQSA-N 1 0 324.440 2.720 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268895679 427139599 /nfs/dbraw/zinc/13/95/99/427139599.db2.gz PBZHHJVOCVNZCE-CXAGYDPISA-N 1 0 324.440 2.720 20 10 DFCDRO CCc1nocc1CN(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000293289833 427273789 /nfs/dbraw/zinc/27/37/89/427273789.db2.gz DEIZBDWTOGFXOQ-UHFFFAOYSA-N 1 0 306.337 2.916 20 10 DFCDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000277656374 427275657 /nfs/dbraw/zinc/27/56/57/427275657.db2.gz DZPBHSMITLWCIS-CABZTGNLSA-N 1 0 300.196 2.669 20 10 DFCDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(C)ccc3O)C2)n(C)n1 ZINC000277695598 427288843 /nfs/dbraw/zinc/28/88/43/427288843.db2.gz KYXPOZUQEAKLEU-MRXNPFEDSA-N 1 0 314.433 2.501 20 10 DFCDRO CCOCC[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000278109184 427406588 /nfs/dbraw/zinc/40/65/88/427406588.db2.gz KVCSYQHUDNIRSZ-IBGZPJMESA-N 1 0 320.477 2.896 20 10 DFCDRO CCOCc1cc(C[NH2+]C[C@](C)(O)C(F)(F)F)ccc1OC ZINC000270551042 427364890 /nfs/dbraw/zinc/36/48/90/427364890.db2.gz MKZFEPPXCMMRJR-AWEZNQCLSA-N 1 0 321.339 2.635 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H](CC)[C@H](O)C(F)(F)F)c1O ZINC000270863273 427366907 /nfs/dbraw/zinc/36/69/07/427366907.db2.gz DQXFROYIRMIRCF-GWCFXTLKSA-N 1 0 307.312 2.582 20 10 DFCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(C)n1-c1ccccc1 ZINC000262739617 427368732 /nfs/dbraw/zinc/36/87/32/427368732.db2.gz IYHSLHCQLAOTEC-FZKQIMNGSA-N 1 0 311.429 2.822 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC000278795760 427456056 /nfs/dbraw/zinc/45/60/56/427456056.db2.gz YXRAEENEHYOIBB-LSDHHAIUSA-N 1 0 322.449 2.552 20 10 DFCDRO CC[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N(C)C)cc1 ZINC000293844326 427460342 /nfs/dbraw/zinc/46/03/42/427460342.db2.gz XYLXMZBOGSPETL-QGZVFWFLSA-N 1 0 301.438 2.555 20 10 DFCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCOC1 ZINC000271257155 427470884 /nfs/dbraw/zinc/47/08/84/427470884.db2.gz HHISTSQSTMCPJO-GFCCVEGCSA-N 1 0 300.196 2.766 20 10 DFCDRO CC(=O)N1CCN(Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000271176662 427431418 /nfs/dbraw/zinc/43/14/18/427431418.db2.gz JRIOBXLRVLUKOA-INIZCTEOSA-N 1 0 315.461 2.730 20 10 DFCDRO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Cl)ccc1O ZINC000278396632 427432186 /nfs/dbraw/zinc/43/21/86/427432186.db2.gz GHWCXAQLHGYRSI-LBPRGKRZSA-N 1 0 310.825 2.561 20 10 DFCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H]2CCCC2(C)C)cc1 ZINC000191858109 427435284 /nfs/dbraw/zinc/43/52/84/427435284.db2.gz NWWFAZURYBYEIK-INIZCTEOSA-N 1 0 303.450 2.537 20 10 DFCDRO COc1c([O-])c(C[NH2+]CCCCCSC)ccc1[N+](=O)[O-] ZINC000278533359 427443381 /nfs/dbraw/zinc/44/33/81/427443381.db2.gz VMASRYMMAVDCNM-UHFFFAOYSA-N 1 0 314.407 2.932 20 10 DFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278479993 427443431 /nfs/dbraw/zinc/44/34/31/427443431.db2.gz RUSMRSSZZYUDEI-SFHVURJKSA-N 1 0 315.461 2.728 20 10 DFCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)[nH]1 ZINC000271332299 427499896 /nfs/dbraw/zinc/49/98/96/427499896.db2.gz NHFORFUWJGMRNP-NSHDSACASA-N 1 0 306.797 2.852 20 10 DFCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](CO)C(C)(C)C)c1O ZINC000184701090 427520365 /nfs/dbraw/zinc/52/03/65/427520365.db2.gz RVXPWEQOTGBJHE-CYBMUJFWSA-N 1 0 301.814 2.893 20 10 DFCDRO CCOC(=O)C[C@](C)([NH2+]Cc1cccc(OC)c1O)C(C)C ZINC000185232640 427618222 /nfs/dbraw/zinc/61/82/22/427618222.db2.gz GPXPINIMHDXCDJ-KRWDZBQOSA-N 1 0 309.406 2.858 20 10 DFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279259104 427618633 /nfs/dbraw/zinc/61/86/33/427618633.db2.gz SVTJPPYZJHVCOK-RDJZCZTQSA-N 1 0 317.477 2.831 20 10 DFCDRO C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1cc(F)ccc1O ZINC000185252115 427618931 /nfs/dbraw/zinc/61/89/31/427618931.db2.gz IIDCBELJKNKJDI-ZDUSSCGKSA-N 1 0 308.397 2.975 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nnc3n2CCCC3)c(O)c1 ZINC000294132338 427557302 /nfs/dbraw/zinc/55/73/02/427557302.db2.gz LIXOECZNSMKGHE-ZDUSSCGKSA-N 1 0 300.406 2.788 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000271491434 427560906 /nfs/dbraw/zinc/56/09/06/427560906.db2.gz ZYVAQLURDJLOGY-OAHLLOKOSA-N 1 0 307.390 2.566 20 10 DFCDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000184949181 427567511 /nfs/dbraw/zinc/56/75/11/427567511.db2.gz VTAPUYIUVZNXPI-DIFFPNOSSA-N 1 0 305.349 2.924 20 10 DFCDRO C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccccc1O ZINC000271699027 427580951 /nfs/dbraw/zinc/58/09/51/427580951.db2.gz SZHAUSOSYSEKAL-CYBMUJFWSA-N 1 0 324.380 2.729 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]CCC[C@H](C)CO)c1O ZINC000271802921 427585313 /nfs/dbraw/zinc/58/53/13/427585313.db2.gz JDOBTGVDCUCNSF-JTQLQIEISA-N 1 0 316.239 2.961 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1O ZINC000271873151 427592755 /nfs/dbraw/zinc/59/27/55/427592755.db2.gz YMBCKVQFABSRCZ-WDEREUQCSA-N 1 0 314.223 2.978 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c1 ZINC000271867072 427593663 /nfs/dbraw/zinc/59/36/63/427593663.db2.gz WIUPXEZYFRNHQT-KRWDZBQOSA-N 1 0 305.374 2.608 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)c1 ZINC000185097744 427595113 /nfs/dbraw/zinc/59/51/13/427595113.db2.gz OOSIRJQFDGPZKR-SJKOYZFVSA-N 1 0 317.385 2.794 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c(O)c2)c1 ZINC000185300733 427631193 /nfs/dbraw/zinc/63/11/93/427631193.db2.gz ATZXCBRLHKNCHH-NSHDSACASA-N 1 0 303.358 2.966 20 10 DFCDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000192920430 427635174 /nfs/dbraw/zinc/63/51/74/427635174.db2.gz ZFNDWWVTPZTKKA-ZDUSSCGKSA-N 1 0 300.402 2.968 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1cc(Br)ccc1O ZINC000185386383 427642248 /nfs/dbraw/zinc/64/22/48/427642248.db2.gz XPXYFYRPRNFAGM-MWLCHTKSSA-N 1 0 300.196 2.984 20 10 DFCDRO C[C@H]([C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O)N1CCOCC1 ZINC000185375668 427643567 /nfs/dbraw/zinc/64/35/67/427643567.db2.gz GIQHOBGYYKDGGP-RWMBFGLXSA-N 1 0 312.841 2.805 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](c3cccnc3)C2)c1 ZINC000295000113 427668634 /nfs/dbraw/zinc/66/86/34/427668634.db2.gz LFVZQGMFHXOHHN-YJBOKZPZSA-N 1 0 314.385 2.806 20 10 DFCDRO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185682598 427691448 /nfs/dbraw/zinc/69/14/48/427691448.db2.gz WZDHUFHMTJAVJO-SMDDNHRTSA-N 1 0 316.405 2.740 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c(O)c1C ZINC000279561816 427704584 /nfs/dbraw/zinc/70/45/84/427704584.db2.gz RYZLHOYVGXRBLE-AWEZNQCLSA-N 1 0 300.402 2.867 20 10 DFCDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000185830156 427715474 /nfs/dbraw/zinc/71/54/74/427715474.db2.gz WYNFZCGVNYTLSB-QAVQXKDTSA-N 1 0 300.196 2.571 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2ccccc2c1O ZINC000185993992 427740475 /nfs/dbraw/zinc/74/04/75/427740475.db2.gz JHWJVZSMCOUNCC-JSGCOSHPSA-N 1 0 308.385 2.803 20 10 DFCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000186109394 427748173 /nfs/dbraw/zinc/74/81/73/427748173.db2.gz QVRBQODLCAUXQH-ZYHUDNBSSA-N 1 0 311.813 2.500 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)ccc1OC ZINC000370730528 428286229 /nfs/dbraw/zinc/28/62/29/428286229.db2.gz OTMYNECBYPRFRA-OAHLLOKOSA-N 1 0 315.417 2.602 20 10 DFCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CCOC3=O)CC2)c1O ZINC000371427531 428388699 /nfs/dbraw/zinc/38/86/99/428388699.db2.gz WUONQSCEXXARDF-UHFFFAOYSA-N 1 0 309.793 2.883 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064297 428413266 /nfs/dbraw/zinc/41/32/66/428413266.db2.gz BAEFRTKKOIQBHE-QYZOEREBSA-N 1 0 317.477 2.657 20 10 DFCDRO COc1ccc(O)c([C@H](C)N2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000372595917 428470276 /nfs/dbraw/zinc/47/02/76/428470276.db2.gz BWNTUYHHDAGPMX-UONOGXRCSA-N 1 0 322.474 2.585 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCN2C)c1O ZINC000372417906 428447200 /nfs/dbraw/zinc/44/72/00/428447200.db2.gz YZZSDAVUYBBFOJ-HZPDHXFCSA-N 1 0 304.434 2.850 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc1C ZINC000372417511 428447786 /nfs/dbraw/zinc/44/77/86/428447786.db2.gz WRUONEXKPDNERL-KRWDZBQOSA-N 1 0 316.445 2.986 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000372598404 428470722 /nfs/dbraw/zinc/47/07/22/428470722.db2.gz GYCGNXJJESCGSJ-UONOGXRCSA-N 1 0 315.417 2.760 20 10 DFCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1O ZINC000372636770 428479212 /nfs/dbraw/zinc/47/92/12/428479212.db2.gz GOWPZHFYFOOOME-KRWDZBQOSA-N 1 0 322.836 2.798 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000372721223 428492674 /nfs/dbraw/zinc/49/26/74/428492674.db2.gz VUBVGQFHTLDYNH-CQSZACIVSA-N 1 0 321.417 2.733 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000373633875 428624389 /nfs/dbraw/zinc/62/43/89/428624389.db2.gz COZATCGHTQTSCX-KDOFPFPSSA-N 1 0 321.417 2.561 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C)c1ccccc1O ZINC000374673767 428728291 /nfs/dbraw/zinc/72/82/91/428728291.db2.gz AYJDIHOAJNJKJR-LISAXSMJSA-N 1 0 318.461 2.932 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(N(C)C)cc1 ZINC000374525995 428693466 /nfs/dbraw/zinc/69/34/66/428693466.db2.gz DIMCVSSKDADOFR-LESCRADOSA-N 1 0 304.434 2.741 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000374808912 428755320 /nfs/dbraw/zinc/75/53/20/428755320.db2.gz OQTSIEDQUIPXGC-WMLDXEAASA-N 1 0 315.461 2.995 20 10 DFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000363520278 428935041 /nfs/dbraw/zinc/93/50/41/428935041.db2.gz PLJLTPDUUVADON-OAHLLOKOSA-N 1 0 308.385 2.802 20 10 DFCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H]3CCOC3)C2)cc1 ZINC000363991310 429152848 /nfs/dbraw/zinc/15/28/48/429152848.db2.gz UTLUGAYOKPWIPY-STQMWFEESA-N 1 0 312.360 2.635 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1O ZINC000363910107 429139515 /nfs/dbraw/zinc/13/95/15/429139515.db2.gz UGENOJRGMCGPKA-RYUDHWBXSA-N 1 0 311.809 2.913 20 10 DFCDRO Cc1csc(N2CCC[N@H+](Cc3ccccc3O)CC2)n1 ZINC000364301143 429178384 /nfs/dbraw/zinc/17/83/84/429178384.db2.gz KMPFFXUKBURTPE-UHFFFAOYSA-N 1 0 303.431 2.869 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1O ZINC000367039829 429564075 /nfs/dbraw/zinc/56/40/75/429564075.db2.gz AUIJWWMBFHMBKP-DOTOQJQBSA-N 1 0 324.424 2.886 20 10 DFCDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cc(OC)ccc2O)CC12CCC2 ZINC000367371708 429633650 /nfs/dbraw/zinc/63/36/50/429633650.db2.gz QUGXZSJQQBUTMZ-DOMZBBRYSA-N 1 0 319.401 2.737 20 10 DFCDRO O=C(NCc1ccccc1O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000367395329 429640520 /nfs/dbraw/zinc/64/05/20/429640520.db2.gz WMJBRSRLWOKDKU-MRXNPFEDSA-N 1 0 302.418 2.806 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(C3CC3)CCOCC2)c1O ZINC000367565051 429672564 /nfs/dbraw/zinc/67/25/64/429672564.db2.gz KPCSBRLCDYJLSR-UHFFFAOYSA-N 1 0 307.365 2.783 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(O)c1 ZINC000091856474 276267582 /nfs/dbraw/zinc/26/75/82/276267582.db2.gz SHPRJXDXHHDWQA-RDJZCZTQSA-N 1 0 323.458 2.887 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(Br)ccc1O ZINC000367686780 429699641 /nfs/dbraw/zinc/69/96/41/429699641.db2.gz JLNKHGPVNCEFRX-STRQVWJDSA-N 1 0 312.207 2.698 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000294122506 276341510 /nfs/dbraw/zinc/34/15/10/276341510.db2.gz PCOHGZKVWNCOFU-NVXWUHKLSA-N 1 0 303.450 2.524 20 10 DFCDRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3c(O)ccc4ccccc43)C2)n1 ZINC000367698974 429703423 /nfs/dbraw/zinc/70/34/23/429703423.db2.gz OUDCHZMHYMSMCV-OAHLLOKOSA-N 1 0 322.412 2.647 20 10 DFCDRO Cc1noc(C2(C)CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000367771057 429713850 /nfs/dbraw/zinc/71/38/50/429713850.db2.gz UCSDGPGSVQGXQO-UHFFFAOYSA-N 1 0 314.433 2.998 20 10 DFCDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000527783165 429797271 /nfs/dbraw/zinc/79/72/71/429797271.db2.gz GTNYZKCETMKRHD-OLZOCXBDSA-N 1 0 300.196 2.812 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000368024776 429770108 /nfs/dbraw/zinc/77/01/08/429770108.db2.gz UUYUGMSWJJWERW-MIGQKNRLSA-N 1 0 302.418 2.962 20 10 DFCDRO COc1cccc([C@@H](C[NH2+]Cc2cccc(OC)c2O)OC)c1 ZINC000527737398 429789632 /nfs/dbraw/zinc/78/96/32/429789632.db2.gz NHWJMRWPOLZXSO-QGZVFWFLSA-N 1 0 317.385 2.887 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)CC2 ZINC000527934549 429822660 /nfs/dbraw/zinc/82/26/60/429822660.db2.gz ROWZYZAORSPAPR-DGCLKSJQSA-N 1 0 311.307 2.969 20 10 DFCDRO C[C@@H]([NH2+]CC12CC(C1)CO2)c1ccc(Br)cc1O ZINC000527980051 429830696 /nfs/dbraw/zinc/83/06/96/429830696.db2.gz LNGIRABHMMYDQE-NAUIOFCNSA-N 1 0 312.207 2.984 20 10 DFCDRO Cc1ncccc1O[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000368977103 429905220 /nfs/dbraw/zinc/90/52/20/429905220.db2.gz BZDVASWIVVIKJW-HNNXBMFYSA-N 1 0 302.349 2.888 20 10 DFCDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c(O)c1O ZINC000529720241 430062995 /nfs/dbraw/zinc/06/29/95/430062995.db2.gz SBRKVESWJYDCGS-CQSZACIVSA-N 1 0 318.417 2.543 20 10 DFCDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000171405960 277505600 /nfs/dbraw/zinc/50/56/00/277505600.db2.gz PIEYMDDXIHTUBZ-AWEZNQCLSA-N 1 0 302.418 2.774 20 10 DFCDRO COc1cccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1O ZINC000092219016 278010455 /nfs/dbraw/zinc/01/04/55/278010455.db2.gz DFGFRKQJVGWXIR-MRXNPFEDSA-N 1 0 304.434 2.851 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)c1O ZINC000191137507 278244044 /nfs/dbraw/zinc/24/40/44/278244044.db2.gz UUJZCKJZJIBZCP-NXEZZACHSA-N 1 0 311.809 2.982 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1 ZINC000155292972 278363792 /nfs/dbraw/zinc/36/37/92/278363792.db2.gz UIYZLNUVVHCJDF-HLLBOEOZSA-N 1 0 304.434 2.599 20 10 DFCDRO CC[C@H]([NH2+]CCCCO)c1cc(Br)ccc1O ZINC000193275469 288039750 /nfs/dbraw/zinc/03/97/50/288039750.db2.gz UEESEBRANNFDDB-LBPRGKRZSA-N 1 0 302.212 2.968 20 10 DFCDRO C[C@@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc2O1 ZINC000662594354 431128655 /nfs/dbraw/zinc/12/86/55/431128655.db2.gz QBRSQDIOUKARPV-CYBMUJFWSA-N 1 0 308.381 2.760 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)cc1 ZINC000281218287 279170149 /nfs/dbraw/zinc/17/01/49/279170149.db2.gz CWJGATQOBPUIOX-HNNXBMFYSA-N 1 0 303.450 2.633 20 10 DFCDRO Cc1cc(N2CCC([NH2+][C@H]3CCc4cccc(O)c43)CC2)n[nH]1 ZINC000296418233 280546130 /nfs/dbraw/zinc/54/61/30/280546130.db2.gz LGPLUDBKABAUHZ-HNNXBMFYSA-N 1 0 312.417 2.670 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227690137 295168610 /nfs/dbraw/zinc/16/86/10/295168610.db2.gz PTFMPRIWDCMYCJ-NEPJUHHUSA-N 1 0 324.421 2.965 20 10 DFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)CO)c1O ZINC000187052210 301070591 /nfs/dbraw/zinc/07/05/91/301070591.db2.gz RZJCXJSGTLKVQT-PSASIEDQSA-N 1 0 302.212 2.742 20 10 DFCDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1C ZINC000299332524 533703486 /nfs/dbraw/zinc/70/34/86/533703486.db2.gz LAOKURAGEVVPMH-SFHVURJKSA-N 1 0 324.424 2.894 20 10 DFCDRO CCC([NH3+])(CC)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000236822579 332205259 /nfs/dbraw/zinc/20/52/59/332205259.db2.gz NNMDWRULZLZCRG-UHFFFAOYSA-N 1 0 314.433 2.736 20 10 DFCDRO CCOCc1cc(C[NH2+]C[C@]2(O)CCC[C@H]2C)ccc1OC ZINC000292889664 335097249 /nfs/dbraw/zinc/09/72/49/335097249.db2.gz CWOQHSCOUFCBQX-RDTXWAMCSA-N 1 0 307.434 2.872 20 10 DFCDRO COC[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293563375 335109216 /nfs/dbraw/zinc/10/92/16/335109216.db2.gz CYLQNARAWVORLC-WMZOPIPTSA-N 1 0 315.413 2.663 20 10 DFCDRO COc1cccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1O ZINC000185637168 333211038 /nfs/dbraw/zinc/21/10/38/333211038.db2.gz PJSYVOPCIIQQJP-UHFFFAOYSA-N 1 0 313.397 2.884 20 10 DFCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)O ZINC000294933913 335128792 /nfs/dbraw/zinc/12/87/92/335128792.db2.gz HQBLHUOZDVZEEI-DYVFJYSZSA-N 1 0 324.440 2.862 20 10 DFCDRO C[C@@H](O)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000187823373 333238440 /nfs/dbraw/zinc/23/84/40/333238440.db2.gz FUVYXAAKTDMFNA-CQSZACIVSA-N 1 0 301.386 2.784 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)c1O ZINC000294958451 335129201 /nfs/dbraw/zinc/12/92/01/335129201.db2.gz IDTDWRIGAIYTPT-GXFFZTMASA-N 1 0 314.223 2.808 20 10 DFCDRO CC[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H](O)C(F)F ZINC000295042916 335130220 /nfs/dbraw/zinc/13/02/20/335130220.db2.gz MSPKNMGEUDMYKF-GXSJLCMTSA-N 1 0 324.165 2.649 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294904324 335130450 /nfs/dbraw/zinc/13/04/50/335130450.db2.gz XNZGVIXGYJKRRN-CYBMUJFWSA-N 1 0 320.433 2.514 20 10 DFCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1C ZINC000295120810 335132341 /nfs/dbraw/zinc/13/23/41/335132341.db2.gz NGOMZOGYSWCNEJ-QGZVFWFLSA-N 1 0 303.377 2.841 20 10 DFCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H]2CCc3nccn3C2)c1 ZINC000364673761 333326063 /nfs/dbraw/zinc/32/60/63/333326063.db2.gz PWOCHGTZUARQGL-CQSZACIVSA-N 1 0 315.417 2.682 20 10 DFCDRO COC1CCN(c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000295501367 335135532 /nfs/dbraw/zinc/13/55/32/335135532.db2.gz KTVVANNFYZNRBK-UHFFFAOYSA-N 1 0 318.461 2.506 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C)(CO)CC2)c1O ZINC000186947564 333381852 /nfs/dbraw/zinc/38/18/52/333381852.db2.gz WOHVQMRAAWNJIQ-UHFFFAOYSA-N 1 0 311.809 2.843 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1O ZINC000296044816 335140869 /nfs/dbraw/zinc/14/08/69/335140869.db2.gz OFEQCYROOXNFHL-LBPRGKRZSA-N 1 0 324.852 2.970 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297214004 335151798 /nfs/dbraw/zinc/15/17/98/335151798.db2.gz GUQNKVJHUVFHEN-PKOBYXMFSA-N 1 0 319.493 2.640 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000192712954 336259011 /nfs/dbraw/zinc/25/90/11/336259011.db2.gz RFLMBGLHNAEGHW-AWEZNQCLSA-N 1 0 312.417 2.810 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c(O)c1 ZINC000192839357 336265555 /nfs/dbraw/zinc/26/55/55/336265555.db2.gz ZVTCDMXDALZMIS-CQSZACIVSA-N 1 0 304.434 2.998 20 10 DFCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000167909006 336278865 /nfs/dbraw/zinc/27/88/65/336278865.db2.gz LPGXAPACLKEDSP-HZPDHXFCSA-N 1 0 324.852 2.779 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(O)c1C ZINC000369901163 336873983 /nfs/dbraw/zinc/87/39/83/336873983.db2.gz FJASDIQPMCSMLK-MPGHIAIKSA-N 1 0 305.418 2.998 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000369921151 336874348 /nfs/dbraw/zinc/87/43/48/336874348.db2.gz UUNLKFLOUWRIRO-INIZCTEOSA-N 1 0 302.418 2.930 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1OC ZINC000373370822 336958367 /nfs/dbraw/zinc/95/83/67/336958367.db2.gz SCLGBYXQFGJNKJ-ROUUACIJSA-N 1 0 321.417 2.704 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCc2nnc(C)n2C1)c1ccc(C)cc1O ZINC000373853003 336974563 /nfs/dbraw/zinc/97/45/63/336974563.db2.gz WPFINXCKAFCLDO-ZFWWWQNUSA-N 1 0 300.406 2.656 20 10 DFCDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1)N1CCCC1 ZINC000373861257 336974844 /nfs/dbraw/zinc/97/48/44/336974844.db2.gz YEZVYQOYHIPPJH-SJORKVTESA-N 1 0 314.429 2.502 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000375301258 337007513 /nfs/dbraw/zinc/00/75/13/337007513.db2.gz FTVPEQZYWDNXMS-IXDGSTSKSA-N 1 0 315.461 2.851 20 10 DFCDRO CN1CCc2cc(C[NH2+]Cc3c[nH]nc3-c3cccnc3)ccc21 ZINC000375320277 337008069 /nfs/dbraw/zinc/00/80/69/337008069.db2.gz QBDAZYJBRIRWKX-UHFFFAOYSA-N 1 0 319.412 2.754 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000305228295 337020077 /nfs/dbraw/zinc/02/00/77/337020077.db2.gz PWQRFBCEORLMDR-QGZVFWFLSA-N 1 0 303.789 2.969 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000375845839 337021164 /nfs/dbraw/zinc/02/11/64/337021164.db2.gz HIJIYULMBHNONJ-KGLIPLIRSA-N 1 0 314.433 2.829 20 10 DFCDRO CCc1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000375845842 337021181 /nfs/dbraw/zinc/02/11/81/337021181.db2.gz HIJIYULMBHNONJ-ZIAGYGMSSA-N 1 0 314.433 2.829 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000375971999 337024459 /nfs/dbraw/zinc/02/44/59/337024459.db2.gz CTIWZLPRUTUMJV-GOEBONIOSA-N 1 0 300.406 2.847 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccncn2)C1)c1cc(F)ccc1O ZINC000376308465 337030989 /nfs/dbraw/zinc/03/09/89/337030989.db2.gz SKUZKFBQGMDJBI-OCCSQVGLSA-N 1 0 316.380 2.641 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccncn2)C1)c1cc(F)ccc1O ZINC000376308463 337031043 /nfs/dbraw/zinc/03/10/43/337031043.db2.gz SKUZKFBQGMDJBI-GXTWGEPZSA-N 1 0 316.380 2.641 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+][C@@H](CC)c1ccccc1O)CC2 ZINC000376317628 337031290 /nfs/dbraw/zinc/03/12/90/337031290.db2.gz ACQOHLIAXHIYFG-JSGCOSHPSA-N 1 0 300.406 2.602 20 10 DFCDRO Oc1ccc(F)cc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000376503804 337035272 /nfs/dbraw/zinc/03/52/72/337035272.db2.gz DAJAXONNSUIZQO-CYBMUJFWSA-N 1 0 309.381 2.549 20 10 DFCDRO COCCn1cc2c(n1)[C@H]([NH2+]Cc1cc(F)ccc1O)CCC2 ZINC000376613776 337038120 /nfs/dbraw/zinc/03/81/20/337038120.db2.gz AANNUIHMHLWCKB-OAHLLOKOSA-N 1 0 319.380 2.541 20 10 DFCDRO Cc1cccc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1O ZINC000377258764 337049723 /nfs/dbraw/zinc/04/97/23/337049723.db2.gz TWUBXOIBVMYIES-WMZOPIPTSA-N 1 0 311.429 2.878 20 10 DFCDRO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000377384475 337051411 /nfs/dbraw/zinc/05/14/11/337051411.db2.gz WVZDBRMHIRVSLJ-XYZCENFISA-N 1 0 317.316 2.872 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H]1CN1CCC[C@H]1CO ZINC000377616796 337056383 /nfs/dbraw/zinc/05/63/83/337056383.db2.gz QVBBOFGXSZBTLX-XYJFISCASA-N 1 0 318.461 2.764 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000377852434 337062593 /nfs/dbraw/zinc/06/25/93/337062593.db2.gz QGHRTHZQMNNLDC-GDBMZVCRSA-N 1 0 302.418 2.788 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1F ZINC000378369925 337071041 /nfs/dbraw/zinc/07/10/41/337071041.db2.gz MFECKDLMWYLZLI-HZPDHXFCSA-N 1 0 310.438 2.598 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CCCCCCO)CC2)cc1 ZINC000378458647 337073370 /nfs/dbraw/zinc/07/33/70/337073370.db2.gz XPKUTQOIIDONEW-UHFFFAOYSA-N 1 0 306.450 2.806 20 10 DFCDRO [O-]c1c(F)cccc1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000378500353 337074491 /nfs/dbraw/zinc/07/44/91/337074491.db2.gz UGRWYZYESIEVTP-UHFFFAOYSA-N 1 0 309.381 2.691 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000184806263 337200335 /nfs/dbraw/zinc/20/03/35/337200335.db2.gz QWTSQQRMWRXYMN-UHFFFAOYSA-N 1 0 313.401 2.508 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c(O)c1 ZINC000186051252 337253127 /nfs/dbraw/zinc/25/31/27/337253127.db2.gz YCQJIISQFAGSQS-HUUCEWRRSA-N 1 0 312.417 2.810 20 10 DFCDRO COc1cccc(C[NH+]2CCC(Cc3nccn3C)CC2)c1O ZINC000121790787 337396506 /nfs/dbraw/zinc/39/65/06/337396506.db2.gz XWVCOTMXPYLNOL-UHFFFAOYSA-N 1 0 315.417 2.589 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000471754788 339353147 /nfs/dbraw/zinc/35/31/47/339353147.db2.gz CDQJRFHNRFADDC-CYBMUJFWSA-N 1 0 316.449 2.626 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(C)(N3CCOCC3)CC2)cc1C ZINC000529664593 340767080 /nfs/dbraw/zinc/76/70/80/340767080.db2.gz RZOMZWSBXWOJCG-UHFFFAOYSA-N 1 0 318.461 2.696 20 10 DFCDRO C[C@H]([NH2+]Cc1ccccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000134228908 341210107 /nfs/dbraw/zinc/21/01/07/341210107.db2.gz QKVXLYFDTFBLMT-LBPRGKRZSA-N 1 0 305.399 2.647 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000248888053 341389498 /nfs/dbraw/zinc/38/94/98/341389498.db2.gz RIARCGSRYMQMQH-SWLSCSKDSA-N 1 0 324.852 2.970 20 10 DFCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000294741916 341712727 /nfs/dbraw/zinc/71/27/27/341712727.db2.gz QVOPWGGVSWBELL-DLBZAZTESA-N 1 0 324.490 2.718 20 10 DFCDRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc2ccccc2c1O ZINC000295802872 341715375 /nfs/dbraw/zinc/71/53/75/341715375.db2.gz AHHKCBZUHDJPMZ-AWEZNQCLSA-N 1 0 314.429 2.653 20 10 DFCDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180015382 518840266 /nfs/dbraw/zinc/84/02/66/518840266.db2.gz PRZXKLFVJXDYFH-ZDUSSCGKSA-N 1 0 310.369 2.630 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)cc1 ZINC000119057389 520285005 /nfs/dbraw/zinc/28/50/05/520285005.db2.gz HDAFWUOIIGZHPX-CRAIPNDOSA-N 1 0 306.450 2.989 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000270316083 520894899 /nfs/dbraw/zinc/89/48/99/520894899.db2.gz HDWYGZZCEIUQML-INIZCTEOSA-N 1 0 303.450 2.539 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000237048529 521149841 /nfs/dbraw/zinc/14/98/41/521149841.db2.gz VNQOORDEMATBML-KRWDZBQOSA-N 1 0 305.349 2.753 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)c2ccc(C)cc2)c1 ZINC000237048465 521152251 /nfs/dbraw/zinc/15/22/51/521152251.db2.gz CWHROVZTVNGLGM-SFHVURJKSA-N 1 0 301.386 2.923 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c1O ZINC000236935757 521365363 /nfs/dbraw/zinc/36/53/63/521365363.db2.gz YWWKLCBULFFPLY-CYBMUJFWSA-N 1 0 303.406 2.722 20 10 DFCDRO C[NH2+]CCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000237185612 521989107 /nfs/dbraw/zinc/98/91/07/521989107.db2.gz OZDTUTSAZREILU-UHFFFAOYSA-N 1 0 303.450 2.539 20 10 DFCDRO COC[C@@H](CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265735443 522297774 /nfs/dbraw/zinc/29/77/74/522297774.db2.gz CKJWBVARVRYSDK-QGZVFWFLSA-N 1 0 301.386 2.546 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1ccccc1O)CC2 ZINC000156506263 522526087 /nfs/dbraw/zinc/52/60/87/522526087.db2.gz OBVQFVJMIDMLCL-JSGCOSHPSA-N 1 0 300.406 2.602 20 10 DFCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](CC)c1ccccc1O ZINC000156437498 522672001 /nfs/dbraw/zinc/67/20/01/522672001.db2.gz ZRVWLWCUMUDWHV-AWEZNQCLSA-N 1 0 303.406 2.938 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(C)cc1O ZINC000366419197 522708586 /nfs/dbraw/zinc/70/85/86/522708586.db2.gz RJGSFJBQJZLYAK-XRGAULLZSA-N 1 0 302.418 2.751 20 10 DFCDRO COCCC[N@@H+]1CCCN([C@H](C)c2cc(OC)ccc2O)CC1 ZINC000364986564 523302603 /nfs/dbraw/zinc/30/26/03/523302603.db2.gz TWDNNPBRMCVIPV-OAHLLOKOSA-N 1 0 322.449 2.506 20 10 DFCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(Cl)cc1 ZINC000264755078 523384599 /nfs/dbraw/zinc/38/45/99/523384599.db2.gz XLLVIFNGWILGKK-HNNXBMFYSA-N 1 0 321.804 2.917 20 10 DFCDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000191636210 523444832 /nfs/dbraw/zinc/44/48/32/523444832.db2.gz WPTUJFNZHBNBFX-IHRRRGAJSA-N 1 0 310.413 2.736 20 10 DFCDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC000364559967 524128856 /nfs/dbraw/zinc/12/88/56/524128856.db2.gz JQKYVHSTVMCKIZ-MRXNPFEDSA-N 1 0 311.429 2.966 20 10 DFCDRO Cc1cc(C(=O)N[C@H](C[NH3+])C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000237770825 524146581 /nfs/dbraw/zinc/14/65/81/524146581.db2.gz MGSBPSYAIJKDNH-QGZVFWFLSA-N 1 0 315.392 2.700 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H](C)c3cnn(C)c3)CC2)cc1 ZINC000157405454 524402826 /nfs/dbraw/zinc/40/28/26/524402826.db2.gz DLJDFYVYHWBMQK-CQSZACIVSA-N 1 0 314.433 2.748 20 10 DFCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000267292324 524417434 /nfs/dbraw/zinc/41/74/34/524417434.db2.gz YDLLGYQOLLOJHK-AWEZNQCLSA-N 1 0 303.450 2.809 20 10 DFCDRO C[C@@H](C[N@H+](C)Cc1cc2c(cc1O)OCO2)c1nccs1 ZINC000182838968 524573959 /nfs/dbraw/zinc/57/39/59/524573959.db2.gz CAMMUELPYVHDOH-JTQLQIEISA-N 1 0 306.387 2.813 20 10 DFCDRO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131180110 524657847 /nfs/dbraw/zinc/65/78/47/524657847.db2.gz AMDHVJUYRIHKNK-VFNWGFHPSA-N 1 0 308.491 2.876 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c1 ZINC000181015095 524753448 /nfs/dbraw/zinc/75/34/48/524753448.db2.gz GEEKRFIQFOVMSU-MRXNPFEDSA-N 1 0 321.417 2.956 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000182387817 524763439 /nfs/dbraw/zinc/76/34/39/524763439.db2.gz YGYYKKAZRLTJMF-DIFFPNOSSA-N 1 0 305.349 2.924 20 10 DFCDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cc2ccc(N)cc2)C1 ZINC000237550936 524881987 /nfs/dbraw/zinc/88/19/87/524881987.db2.gz KXXXSUGXGIDCOA-HOTGVXAUSA-N 1 0 317.477 2.686 20 10 DFCDRO C[C@@H]([N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000267771181 524982231 /nfs/dbraw/zinc/98/22/31/524982231.db2.gz LCSFPTSZDLAFNM-OAHLLOKOSA-N 1 0 317.477 2.831 20 10 DFCDRO C[C@H]([NH2+]C1CCN(C)CC1)c1cc(Br)ccc1O ZINC000181007329 525293864 /nfs/dbraw/zinc/29/38/64/525293864.db2.gz HOWCAYCERDNVMV-JTQLQIEISA-N 1 0 313.239 2.900 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(Cn3ccnn3)CC2)cc1C ZINC000157047155 525314250 /nfs/dbraw/zinc/31/42/50/525314250.db2.gz WRHARGOZQZCOSC-UHFFFAOYSA-N 1 0 300.406 2.513 20 10 DFCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1C ZINC000369082051 525317976 /nfs/dbraw/zinc/31/79/76/525317976.db2.gz DDXVTVAWGNKPLQ-YJBOKZPZSA-N 1 0 305.418 2.779 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1C ZINC000369377397 525318338 /nfs/dbraw/zinc/31/83/38/525318338.db2.gz ALESPYWWIDANAK-RLFYNMQTSA-N 1 0 305.418 2.777 20 10 DFCDRO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000268897263 525379237 /nfs/dbraw/zinc/37/92/37/525379237.db2.gz PHAYEOFRUVCDIF-WMLDXEAASA-N 1 0 306.450 2.581 20 10 DFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1O ZINC000179902121 525409289 /nfs/dbraw/zinc/40/92/89/525409289.db2.gz IISWXKXFDWGCBA-JSGCOSHPSA-N 1 0 305.349 2.622 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(Br)ccc1O ZINC000189299782 525420353 /nfs/dbraw/zinc/42/03/53/525420353.db2.gz XRFVKVGFPTUMQK-NHCYSSNCSA-N 1 0 314.223 2.966 20 10 DFCDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162514818 525450206 /nfs/dbraw/zinc/45/02/06/525450206.db2.gz MXNSSQYBYZJVHK-OAHLLOKOSA-N 1 0 311.429 2.833 20 10 DFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCCC3)nc2)c1O ZINC000237395058 526023351 /nfs/dbraw/zinc/02/33/51/526023351.db2.gz OEFXKRQOBKRWDV-UHFFFAOYSA-N 1 0 313.401 2.686 20 10 DFCDRO Cc1cc(C(=O)NCCC[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000237588910 526266430 /nfs/dbraw/zinc/26/64/30/526266430.db2.gz UKSBAMFWXFSYIM-UHFFFAOYSA-N 1 0 305.809 2.826 20 10 DFCDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1)OCO2 ZINC000238060158 526335911 /nfs/dbraw/zinc/33/59/11/526335911.db2.gz ASGWGOHNGBDFEP-AWEZNQCLSA-N 1 0 321.760 2.598 20 10 DFCDRO Oc1ccccc1C[N@H+](CCOCC(F)F)C[C@@H]1CCCO1 ZINC000189661835 526372692 /nfs/dbraw/zinc/37/26/92/526372692.db2.gz SVBRMJPSZDLBRI-AWEZNQCLSA-N 1 0 315.360 2.655 20 10 DFCDRO COC(=O)CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C(C)C ZINC000273726132 536451550 /nfs/dbraw/zinc/45/15/50/536451550.db2.gz JIKIGSLKOCPGMT-UHFFFAOYSA-N 1 0 315.797 2.828 20 10 DFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000158067747 526891739 /nfs/dbraw/zinc/89/17/39/526891739.db2.gz IZHYPRRHGKWZEK-CQSZACIVSA-N 1 0 308.809 2.536 20 10 DFCDRO Cn1cc([C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)cn1 ZINC000267599310 527303327 /nfs/dbraw/zinc/30/33/27/527303327.db2.gz MNNJVQYGWRYOSF-IBGZPJMESA-N 1 0 323.396 2.852 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)[C@]12CCCO2 ZINC000273662451 535408695 /nfs/dbraw/zinc/40/86/95/535408695.db2.gz YEFDCZCVWPETBP-BZUAXINKSA-N 1 0 311.809 2.862 20 10 DFCDRO CC[NH+](CC)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000299211508 535487761 /nfs/dbraw/zinc/48/77/61/535487761.db2.gz FZGHMDOUAZTFNS-UHFFFAOYSA-N 1 0 317.477 2.977 20 10 DFCDRO CC[NH+](CC)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298442566 535487863 /nfs/dbraw/zinc/48/78/63/535487863.db2.gz DCGVVJDUVBHVLB-UHFFFAOYSA-N 1 0 303.450 2.585 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000286875346 535765208 /nfs/dbraw/zinc/76/52/08/535765208.db2.gz CAVNQLHMMKCFRF-LSDHHAIUSA-N 1 0 324.490 2.618 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1[O-] ZINC000287896190 535804570 /nfs/dbraw/zinc/80/45/70/535804570.db2.gz ZHUOGXWZSJGPKZ-IUODEOHRSA-N 1 0 312.841 2.543 20 10 DFCDRO CC[C@H]([NH2+]CCC1(O)CCOCC1)c1ccc(N(C)C)cc1 ZINC000287534512 535898813 /nfs/dbraw/zinc/89/88/13/535898813.db2.gz PATDZXJORBGYLM-KRWDZBQOSA-N 1 0 306.450 2.725 20 10 DFCDRO C[NH+](C)Cc1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000120132050 536039732 /nfs/dbraw/zinc/03/97/32/536039732.db2.gz NEJFGHWINYKIIQ-UHFFFAOYSA-N 1 0 300.358 2.795 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286263376 536147175 /nfs/dbraw/zinc/14/71/75/536147175.db2.gz BBCHTKANBMTUJH-HIFRSBDPSA-N 1 0 316.367 2.745 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000287887261 536147288 /nfs/dbraw/zinc/14/72/88/536147288.db2.gz TXNRDRSMBPLKBJ-IBGZPJMESA-N 1 0 311.429 2.939 20 10 DFCDRO COc1cc(O)c(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1OC ZINC000273208442 536856464 /nfs/dbraw/zinc/85/64/64/536856464.db2.gz SLWIGGRYBSNDOB-STQMWFEESA-N 1 0 309.406 2.704 20 10 DFCDRO Oc1ccccc1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826511156 608508295 /nfs/dbraw/zinc/50/82/95/608508295.db2.gz DYLXKTAGMISIMZ-INIZCTEOSA-N 1 0 321.384 2.740 20 10 DFCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000090410713 185294720 /nfs/dbraw/zinc/29/47/20/185294720.db2.gz ZSPIHICCCFEUKS-NVXWUHKLSA-N 1 0 318.465 2.597 20 10 DFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000090410715 185294897 /nfs/dbraw/zinc/29/48/97/185294897.db2.gz ZSPIHICCCFEUKS-DOTOQJQBSA-N 1 0 318.465 2.597 20 10 DFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092707849 185335552 /nfs/dbraw/zinc/33/55/52/185335552.db2.gz QZMQMBJRZVZPMC-CQSZACIVSA-N 1 0 320.433 2.529 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1 ZINC000092706479 185335013 /nfs/dbraw/zinc/33/50/13/185335013.db2.gz CXXNVYADGXLPLD-OAHLLOKOSA-N 1 0 304.434 2.685 20 10 DFCDRO C[C@@H]1Cc2ccccc2N(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592527511 398443062 /nfs/dbraw/zinc/44/30/62/398443062.db2.gz HMXNYQWQUZOAKB-UKRRQHHQSA-N 1 0 324.428 2.558 20 10 DFCDRO C[C@H]1Cc2ccccc2N(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592527506 398443159 /nfs/dbraw/zinc/44/31/59/398443159.db2.gz HMXNYQWQUZOAKB-DZGCQCFKSA-N 1 0 324.428 2.558 20 10 DFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[N@H+](C)C(C)C ZINC000299560925 534992756 /nfs/dbraw/zinc/99/27/56/534992756.db2.gz YARCISDSFUOTLC-UHFFFAOYSA-N 1 0 305.466 2.830 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2C)c1O ZINC000091967586 398550972 /nfs/dbraw/zinc/55/09/72/398550972.db2.gz PTXUZSMTTIHHGO-HNNXBMFYSA-N 1 0 301.390 2.780 20 10 DFCDRO COc1cccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1O ZINC000093387929 398635340 /nfs/dbraw/zinc/63/53/40/398635340.db2.gz VTBLODPGSJQEQA-QGZVFWFLSA-N 1 0 313.397 2.883 20 10 DFCDRO C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273437627 299291855 /nfs/dbraw/zinc/29/18/55/299291855.db2.gz XOHALLPLTWGJKA-ZDUSSCGKSA-N 1 0 307.394 2.827 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](OCCOCC)C2)c(O)c1 ZINC000092067522 193152660 /nfs/dbraw/zinc/15/26/60/193152660.db2.gz KMUNVFBDPWQSSG-KRWDZBQOSA-N 1 0 323.433 2.808 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1 ZINC000092103253 193159148 /nfs/dbraw/zinc/15/91/48/193159148.db2.gz BIARVUCSWLOMCG-GFCCVEGCSA-N 1 0 302.340 2.769 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(Br)cc1O ZINC000184851363 296133571 /nfs/dbraw/zinc/13/35/71/296133571.db2.gz DLNRBZSXMFWYNU-MWLCHTKSSA-N 1 0 300.196 2.984 20 10 DFCDRO COC(=O)C1([N@H+](C)Cc2cccc(OC)c2O)CCCCC1 ZINC000093359775 193237867 /nfs/dbraw/zinc/23/78/67/193237867.db2.gz JJUQHVCRQFFGAX-UHFFFAOYSA-N 1 0 307.390 2.709 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)cc1F ZINC000093360757 193238911 /nfs/dbraw/zinc/23/89/11/193238911.db2.gz IVVKSHFMVQEXTL-OAHLLOKOSA-N 1 0 321.440 2.630 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H](C)N1CCOCC1 ZINC000134042861 296150330 /nfs/dbraw/zinc/15/03/30/296150330.db2.gz NHYZLNCWONNFQD-OWCLPIDISA-N 1 0 305.466 2.512 20 10 DFCDRO Cc1cc(C(=O)N[C@](C)(C[NH3+])C(C)C)c(C)n1-c1ccccn1 ZINC000158247416 291779500 /nfs/dbraw/zinc/77/95/00/291779500.db2.gz RKEQHAGUDBGTHN-GOSISDBHSA-N 1 0 314.433 2.592 20 10 DFCDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000172071865 285182074 /nfs/dbraw/zinc/18/20/74/285182074.db2.gz WTVGDTKNIFCXSC-SFHVURJKSA-N 1 0 306.450 2.554 20 10 DFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000273204298 130097817 /nfs/dbraw/zinc/09/78/17/130097817.db2.gz JGPFYDAELOENJX-AWEZNQCLSA-N 1 0 305.466 2.878 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c(O)c1C ZINC000273388094 130115729 /nfs/dbraw/zinc/11/57/29/130115729.db2.gz KDAZEFHSRQZPHI-HOTGVXAUSA-N 1 0 306.450 2.506 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000273391981 130116171 /nfs/dbraw/zinc/11/61/71/130116171.db2.gz LAJQLBRXPJCBLC-ZIAGYGMSSA-N 1 0 320.433 2.561 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000273398299 130117295 /nfs/dbraw/zinc/11/72/95/130117295.db2.gz MKIDAIKDHGSKAE-NXEZZACHSA-N 1 0 300.196 2.842 20 10 DFCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1cc(F)ccc1O ZINC000273483370 130126406 /nfs/dbraw/zinc/12/64/06/130126406.db2.gz MSLBLAKTXYTKLD-WBHUJUFNSA-N 1 0 319.376 2.667 20 10 DFCDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc2ccccc2c1O ZINC000273515015 130131133 /nfs/dbraw/zinc/13/11/33/130131133.db2.gz SJQYMXAAXDXSTK-UGSOOPFHSA-N 1 0 315.413 2.984 20 10 DFCDRO C[C@H]([NH2+]Cc1nccn1C)c1cc(Br)ccc1O ZINC000273593473 130141719 /nfs/dbraw/zinc/14/17/19/130141719.db2.gz PYIHRCXMNPIICY-VIFPVBQESA-N 1 0 310.195 2.739 20 10 DFCDRO C[C@H]([NH2+]C[C@H](C)N(C)C)c1cc(Br)ccc1O ZINC000273621297 130145431 /nfs/dbraw/zinc/14/54/31/130145431.db2.gz ZBEGISQDVLLDTK-UWVGGRQHSA-N 1 0 301.228 2.755 20 10 DFCDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(C)c(O)c1O ZINC000274105334 130206972 /nfs/dbraw/zinc/20/69/72/130206972.db2.gz PTZOLELWFZBALO-UHFFFAOYSA-N 1 0 308.422 2.600 20 10 DFCDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(Br)cc1O ZINC000274773787 130261075 /nfs/dbraw/zinc/26/10/75/130261075.db2.gz IGEZRLCZMSRRFU-SECBINFHSA-N 1 0 302.212 2.966 20 10 DFCDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccc(Br)cc1O ZINC000274773789 130261112 /nfs/dbraw/zinc/26/11/12/130261112.db2.gz IGEZRLCZMSRRFU-VIFPVBQESA-N 1 0 302.212 2.966 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCO[C@@H]2c2ccncc2)c1 ZINC000275359303 130308098 /nfs/dbraw/zinc/30/80/98/130308098.db2.gz AWTAYRBAYFIZLR-FUHWJXTLSA-N 1 0 314.385 2.806 20 10 DFCDRO COc1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2ccncc2)c1O ZINC000275616084 130351118 /nfs/dbraw/zinc/35/11/18/130351118.db2.gz RHZYHVINCZBIHV-MAUKXSAKSA-N 1 0 314.385 2.806 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1O ZINC000277284751 130597789 /nfs/dbraw/zinc/59/77/89/130597789.db2.gz AFVUGQKFBKWRIU-GXFFZTMASA-N 1 0 314.223 2.978 20 10 DFCDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000283840987 131028500 /nfs/dbraw/zinc/02/85/00/131028500.db2.gz BQPVMJDLIAZDGC-INIZCTEOSA-N 1 0 304.434 2.890 20 10 DFCDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000284174644 131056080 /nfs/dbraw/zinc/05/60/80/131056080.db2.gz FOIFYNUYVUKAJU-ITDIGPHOSA-N 1 0 315.841 2.854 20 10 DFCDRO C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000284355665 131072952 /nfs/dbraw/zinc/07/29/52/131072952.db2.gz MQIWWIGHWPGFEW-AWEZNQCLSA-N 1 0 322.424 2.618 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000284954591 131125459 /nfs/dbraw/zinc/12/54/59/131125459.db2.gz HRROIEXVLLXDNF-KGLIPLIRSA-N 1 0 315.841 2.602 20 10 DFCDRO COc1ccc(O)c(C[NH2+]Cc2ccnc(OC(F)F)c2)c1 ZINC000284964391 131126848 /nfs/dbraw/zinc/12/68/48/131126848.db2.gz IBIRHBHKLDGBHW-UHFFFAOYSA-N 1 0 310.300 2.687 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c(O)c1 ZINC000285213870 131147687 /nfs/dbraw/zinc/14/76/87/131147687.db2.gz OPRMNEFPCKBTKD-CYBMUJFWSA-N 1 0 302.374 2.683 20 10 DFCDRO C[C@H]1CN(c2ccc(C[NH2+]CC3(C)COC3)cc2F)C[C@H](C)O1 ZINC000285350375 131159482 /nfs/dbraw/zinc/15/94/82/131159482.db2.gz DOFSHSZPTGFVAN-KBPBESRZSA-N 1 0 322.424 2.565 20 10 DFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000289527890 131393240 /nfs/dbraw/zinc/39/32/40/131393240.db2.gz VWCIKOOXTJLDRY-LJQANCHMSA-N 1 0 313.397 2.832 20 10 DFCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000289564013 131396175 /nfs/dbraw/zinc/39/61/75/131396175.db2.gz RZSQJRUHSRUZDZ-CQSZACIVSA-N 1 0 322.405 2.501 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1 ZINC000289704745 131409065 /nfs/dbraw/zinc/40/90/65/131409065.db2.gz KORTUCMQKSLAIP-SJORKVTESA-N 1 0 323.440 2.776 20 10 DFCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000289750098 131413183 /nfs/dbraw/zinc/41/31/83/131413183.db2.gz QONJLAGABNPQNK-CQSZACIVSA-N 1 0 317.307 2.628 20 10 DFCDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000290210190 131464496 /nfs/dbraw/zinc/46/44/96/131464496.db2.gz PWHTVISVOKDZMA-ROUUACIJSA-N 1 0 315.461 2.537 20 10 DFCDRO COCC1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCOCC1 ZINC000293709945 131761042 /nfs/dbraw/zinc/76/10/42/131761042.db2.gz OWPBBSZFVXYPPT-HNNXBMFYSA-N 1 0 306.450 2.846 20 10 DFCDRO C[C@H]([NH2+]CCc1cnc2c(Cl)cnn2c1)c1ccccc1O ZINC000297370710 132012602 /nfs/dbraw/zinc/01/26/02/132012602.db2.gz QLGFCJMRTPKSAE-NSHDSACASA-N 1 0 316.792 2.982 20 10 DFCDRO CCN(CC)C(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298718353 132074643 /nfs/dbraw/zinc/07/46/43/132074643.db2.gz NELXPBSPRMIZSU-UHFFFAOYSA-N 1 0 303.450 2.585 20 10 DFCDRO C[C@@H]([NH2+][C@H](C)[C@@H](C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000134043044 287063140 /nfs/dbraw/zinc/06/31/40/287063140.db2.gz NHYZLNCWONNFQD-BZUAXINKSA-N 1 0 305.466 2.512 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c(O)c1C ZINC000297381486 227092673 /nfs/dbraw/zinc/09/26/73/227092673.db2.gz RCKYRDFVGRNRJR-JKSUJKDBSA-N 1 0 306.450 2.506 20 10 DFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000157057606 425936983 /nfs/dbraw/zinc/93/69/83/425936983.db2.gz DLHATHBKODIFAC-QGZVFWFLSA-N 1 0 316.376 2.970 20 10 DFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000007114520 425637063 /nfs/dbraw/zinc/63/70/63/425637063.db2.gz WLWQSLYYGDEGMY-HNNXBMFYSA-N 1 0 311.429 2.720 20 10 DFCDRO COCCCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000103225804 425939071 /nfs/dbraw/zinc/93/90/71/425939071.db2.gz JKWIACYHAAAMHR-UHFFFAOYSA-N 1 0 306.450 2.772 20 10 DFCDRO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)Cc1ccccc1O ZINC000109769650 426032814 /nfs/dbraw/zinc/03/28/14/426032814.db2.gz CGOHPOCRGMNSEJ-BBBYJDLNSA-N 1 0 304.434 2.907 20 10 DFCDRO CCC[N@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1ccccc1O ZINC000076074005 426097702 /nfs/dbraw/zinc/09/77/02/426097702.db2.gz YWRJCQXREXAJFO-OAHLLOKOSA-N 1 0 304.434 2.863 20 10 DFCDRO C[C@H]1CN(CCC[NH2+]Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000113317008 426111767 /nfs/dbraw/zinc/11/17/67/426111767.db2.gz QUNXTYJOOCTBRJ-STQMWFEESA-N 1 0 312.841 2.635 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2)cc1F ZINC000114508369 426138439 /nfs/dbraw/zinc/13/84/39/426138439.db2.gz MYCHEDKDJNQLBI-GOSISDBHSA-N 1 0 302.393 2.889 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@](C)(O)c2ccsc2)c1O ZINC000077461032 426134026 /nfs/dbraw/zinc/13/40/26/426134026.db2.gz BNDPWJKBIJEPBR-INIZCTEOSA-N 1 0 307.415 2.850 20 10 DFCDRO CC[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(N(C)C)cc1 ZINC000168305623 426134897 /nfs/dbraw/zinc/13/48/97/426134897.db2.gz FQTUTSVQQYQRCV-SFHVURJKSA-N 1 0 319.493 2.904 20 10 DFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cccs1 ZINC000171112530 426170950 /nfs/dbraw/zinc/17/09/50/426170950.db2.gz ZGGIXZLJYGNXKE-CYBMUJFWSA-N 1 0 317.458 2.781 20 10 DFCDRO Cc1csc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC000133875881 426183515 /nfs/dbraw/zinc/18/35/15/426183515.db2.gz DWGWPFPOEAVIFC-UHFFFAOYSA-N 1 0 303.431 2.788 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1[O-] ZINC000175582873 426315327 /nfs/dbraw/zinc/31/53/27/426315327.db2.gz OLEDDVIOZDAJET-GFCCVEGCSA-N 1 0 307.365 2.735 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cc1 ZINC000121117697 426321765 /nfs/dbraw/zinc/32/17/65/426321765.db2.gz KIMFJJSJSOEQOI-UHFFFAOYSA-N 1 0 305.466 2.783 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000152338097 426338984 /nfs/dbraw/zinc/33/89/84/426338984.db2.gz OUUPIBDDQHJOGM-WBVHZDCISA-N 1 0 315.461 2.948 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CCCn3ccnc3)CC2)cc1 ZINC000151129452 426279110 /nfs/dbraw/zinc/27/91/10/426279110.db2.gz OOGCVSCNVBUUQS-UHFFFAOYSA-N 1 0 314.433 2.540 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000092098285 426346958 /nfs/dbraw/zinc/34/69/58/426346958.db2.gz ILHQPTLPLDPYIV-UHFFFAOYSA-N 1 0 306.797 2.549 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091978959 426347163 /nfs/dbraw/zinc/34/71/63/426347163.db2.gz NENDGIKVEAWEKD-RBUKOAKNSA-N 1 0 316.445 2.667 20 10 DFCDRO C[C@@H]1CN(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CCO1 ZINC000092079311 426347241 /nfs/dbraw/zinc/34/72/41/426347241.db2.gz MCAWIUVGGOVVEE-CYBMUJFWSA-N 1 0 324.852 2.731 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Nc3ccccc3)C1)OCO2 ZINC000092758275 426351018 /nfs/dbraw/zinc/35/10/18/426351018.db2.gz OGHNBQACSFAGFA-HNNXBMFYSA-N 1 0 312.369 2.807 20 10 DFCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(C)c(C)cc1O)CC2 ZINC000093613590 426358142 /nfs/dbraw/zinc/35/81/42/426358142.db2.gz IHCXDCVTWDUKNK-ROUUACIJSA-N 1 0 319.445 2.761 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152865585 426358497 /nfs/dbraw/zinc/35/84/97/426358497.db2.gz CUZLVJNUKBUJGC-GLJUWKHASA-N 1 0 322.424 2.880 20 10 DFCDRO O[C@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCSC1 ZINC000176757391 426411273 /nfs/dbraw/zinc/41/12/73/426411273.db2.gz ZWVIFHUQAZMEGA-KRWDZBQOSA-N 1 0 306.475 2.635 20 10 DFCDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000176986093 426431138 /nfs/dbraw/zinc/43/11/38/426431138.db2.gz OXUKXSPSUZFKDL-CYBMUJFWSA-N 1 0 316.376 2.920 20 10 DFCDRO Oc1ccc(F)cc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186459550 426530549 /nfs/dbraw/zinc/53/05/49/426530549.db2.gz PMPWUOMIGLMMCK-UHFFFAOYSA-N 1 0 316.376 2.846 20 10 DFCDRO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1O ZINC000194943849 426497006 /nfs/dbraw/zinc/49/70/06/426497006.db2.gz RCHGTUCZFWHQIT-CQSZACIVSA-N 1 0 316.405 2.529 20 10 DFCDRO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)CC2 ZINC000186294142 426501571 /nfs/dbraw/zinc/50/15/71/426501571.db2.gz ILKJCEMGFXFQFV-AAEUAGOBSA-N 1 0 318.396 2.912 20 10 DFCDRO Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c(O)c1O ZINC000177672493 426504426 /nfs/dbraw/zinc/50/44/26/426504426.db2.gz WVWWKXPNZAHTNP-CQSZACIVSA-N 1 0 320.433 2.791 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280404334 426568800 /nfs/dbraw/zinc/56/88/00/426568800.db2.gz YBEZTJFYZYBGMY-GOSISDBHSA-N 1 0 321.417 2.561 20 10 DFCDRO CCC[C@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000226251538 426618364 /nfs/dbraw/zinc/61/83/64/426618364.db2.gz IKINCCPITTYAOU-ZDUSSCGKSA-N 1 0 302.212 2.795 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)c2ccccc2)c1O ZINC000228674191 426634894 /nfs/dbraw/zinc/63/48/94/426634894.db2.gz UOSNNJPHALUHLK-AWEZNQCLSA-N 1 0 307.777 2.877 20 10 DFCDRO CN(C)C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000237019319 426686505 /nfs/dbraw/zinc/68/65/05/426686505.db2.gz PTZGMXXGNNNTME-OAHLLOKOSA-N 1 0 314.385 2.513 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]CC(C)(C)CCCO)c1O ZINC000230935481 426651192 /nfs/dbraw/zinc/65/11/92/426651192.db2.gz TTXRVBLOYRXEFT-UHFFFAOYSA-N 1 0 301.814 2.943 20 10 DFCDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc2ccccc2c1O ZINC000280778317 426654893 /nfs/dbraw/zinc/65/48/93/426654893.db2.gz GQSASTHVXXAJIH-SNVBAGLBSA-N 1 0 308.328 2.577 20 10 DFCDRO Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289659081 426670515 /nfs/dbraw/zinc/67/05/15/426670515.db2.gz NDTCHYLCEOEOEV-CHWSQXEVSA-N 1 0 303.324 2.693 20 10 DFCDRO CCC[N@H+](CCc1ccccn1)Cc1cc2c(cc1O)OCO2 ZINC000289866410 426675088 /nfs/dbraw/zinc/67/50/88/426675088.db2.gz QYORBRDOMWYFJE-UHFFFAOYSA-N 1 0 314.385 2.971 20 10 DFCDRO OC[C@@]1(F)CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000289966923 426677067 /nfs/dbraw/zinc/67/70/67/426677067.db2.gz YWEUQVRASCLTQQ-GOSISDBHSA-N 1 0 306.425 2.973 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000237219161 426690173 /nfs/dbraw/zinc/69/01/73/426690173.db2.gz VQEPAAHKDQPVDQ-GOSISDBHSA-N 1 0 315.461 2.777 20 10 DFCDRO Nc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000237903247 426696012 /nfs/dbraw/zinc/69/60/12/426696012.db2.gz YJCBWOHPCDWEHM-IBGZPJMESA-N 1 0 323.440 2.592 20 10 DFCDRO C[C@H](CCO)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000273618412 426698537 /nfs/dbraw/zinc/69/85/37/426698537.db2.gz YIEJRTOAEFRRFN-NXEZZACHSA-N 1 0 302.212 2.824 20 10 DFCDRO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(OC)ccc1O ZINC000245923140 426781669 /nfs/dbraw/zinc/78/16/69/426781669.db2.gz YGNJPCITBDESDA-MAZHCROVSA-N 1 0 319.401 2.707 20 10 DFCDRO [O-]c1c(F)cccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281890937 426785812 /nfs/dbraw/zinc/78/58/12/426785812.db2.gz YDBPLRWQUKSUHU-HOCLYGCPSA-N 1 0 305.324 2.978 20 10 DFCDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000290275163 426731293 /nfs/dbraw/zinc/73/12/93/426731293.db2.gz WPTUJFNZHBNBFX-RDBSUJKOSA-N 1 0 310.413 2.736 20 10 DFCDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)c1ccccc1 ZINC000179554903 426800416 /nfs/dbraw/zinc/80/04/16/426800416.db2.gz YXDWMDYGSUNVLG-UHFFFAOYSA-N 1 0 310.397 2.787 20 10 DFCDRO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1O ZINC000290609422 426805204 /nfs/dbraw/zinc/80/52/04/426805204.db2.gz WJHWMTLJLZBGMD-GXTWGEPZSA-N 1 0 306.406 2.880 20 10 DFCDRO COC[C@H](O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000179642162 426808487 /nfs/dbraw/zinc/80/84/87/426808487.db2.gz OMVWYUSGWUTAGD-CRAIPNDOSA-N 1 0 315.413 2.963 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000282455975 426915068 /nfs/dbraw/zinc/91/50/68/426915068.db2.gz VIGFOSPLNMCGKY-HWWQOWPSSA-N 1 0 302.418 2.589 20 10 DFCDRO Cc1cc([C@H](C)NCc2ccc(N3CCOCC3)cc2)no1 ZINC000282630352 426920180 /nfs/dbraw/zinc/92/01/80/426920180.db2.gz JQYPYDSIEJSQDO-AWEZNQCLSA-N 1 0 301.390 2.670 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCC3)[C@@H]1[C@@H]1CCCO1)OCO2 ZINC000290947663 426870746 /nfs/dbraw/zinc/87/07/46/426870746.db2.gz QKQNXNLTYWBBNV-YOEHRIQHSA-N 1 0 317.385 2.654 20 10 DFCDRO COc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1O ZINC000282838801 426925909 /nfs/dbraw/zinc/92/59/09/426925909.db2.gz CMBYAABLYXKFEA-UHFFFAOYSA-N 1 0 316.357 2.984 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1O ZINC000283206409 426973957 /nfs/dbraw/zinc/97/39/57/426973957.db2.gz LTIIIOAABZBPRA-JJRVBVJISA-N 1 0 305.418 2.611 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1O ZINC000282971219 426933195 /nfs/dbraw/zinc/93/31/95/426933195.db2.gz LHYWCAPLHVEFPD-MRXNPFEDSA-N 1 0 301.386 2.841 20 10 DFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1C ZINC000282923206 426933807 /nfs/dbraw/zinc/93/38/07/426933807.db2.gz WALWYLSSMTYRIL-YJBOKZPZSA-N 1 0 319.445 2.666 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)c1O ZINC000282944934 426935167 /nfs/dbraw/zinc/93/51/67/426935167.db2.gz GTKAGODYTFTYOF-CYBMUJFWSA-N 1 0 301.390 2.812 20 10 DFCDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])cn1 ZINC000296040962 427055493 /nfs/dbraw/zinc/05/54/93/427055493.db2.gz UJHNDVIECNWVFE-VXGBXAGGSA-N 1 0 317.389 2.807 20 10 DFCDRO O=C1OCC[C@]12CCCN2Cc1ccc(N2CCCCC2)cc1 ZINC000190038047 427005617 /nfs/dbraw/zinc/00/56/17/427005617.db2.gz PHXQTFQNBBQOND-LJQANCHMSA-N 1 0 314.429 2.958 20 10 DFCDRO CN(C)c1ccc(CN(C(=O)C=Cc2c[nH]cn2)C2CC2)cc1 ZINC000283400270 427008080 /nfs/dbraw/zinc/00/80/80/427008080.db2.gz HCGFTPGVJDEQCF-BJMVGYQFSA-N 1 0 310.401 2.680 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)cc1F ZINC000291996495 427050782 /nfs/dbraw/zinc/05/07/82/427050782.db2.gz BTJVFEHMJODZPE-HNNXBMFYSA-N 1 0 321.440 2.820 20 10 DFCDRO CC[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccccc1O ZINC000277046553 427132247 /nfs/dbraw/zinc/13/22/47/427132247.db2.gz GPTPRVBHVNUZCH-INIZCTEOSA-N 1 0 312.417 2.892 20 10 DFCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268837711 427135882 /nfs/dbraw/zinc/13/58/82/427135882.db2.gz HBXOQFAGQATOQC-ZQDZILKHSA-N 1 0 324.440 2.952 20 10 DFCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C(C)C ZINC000268922272 427139083 /nfs/dbraw/zinc/13/90/83/427139083.db2.gz KILZYEFGLKXONO-CRAIPNDOSA-N 1 0 306.450 2.845 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000268953704 427139741 /nfs/dbraw/zinc/13/97/41/427139741.db2.gz FNMXPZXHYAPJRM-KRWDZBQOSA-N 1 0 316.445 2.715 20 10 DFCDRO C[C@@H]([NH2+]CCc1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000269029745 427144301 /nfs/dbraw/zinc/14/43/01/427144301.db2.gz UAHWXWXNWBZQCS-MRXNPFEDSA-N 1 0 311.429 2.812 20 10 DFCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCCC1 ZINC000269252673 427151423 /nfs/dbraw/zinc/15/14/23/427151423.db2.gz QBMIZSNMUVLOIS-UHFFFAOYSA-N 1 0 301.434 2.565 20 10 DFCDRO CCCOc1ccc(C[NH2+]CCNC(=O)[C@@H](C)CCC)c(O)c1 ZINC000292768057 427199756 /nfs/dbraw/zinc/19/97/56/427199756.db2.gz SJSIMZPKCXKKLJ-AWEZNQCLSA-N 1 0 322.449 2.823 20 10 DFCDRO Cc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)ccc1N(C)C ZINC000292829390 427201653 /nfs/dbraw/zinc/20/16/53/427201653.db2.gz OPWBRTPGTRHMIR-IAGOWNOFSA-N 1 0 306.475 2.767 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000292968275 427207899 /nfs/dbraw/zinc/20/78/99/427207899.db2.gz MAPXFWYYGBBMPP-UHFFFAOYSA-N 1 0 312.413 2.827 20 10 DFCDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000183220601 427225283 /nfs/dbraw/zinc/22/52/83/427225283.db2.gz CFNIPWVJCMTPFM-CQSZACIVSA-N 1 0 305.466 2.956 20 10 DFCDRO COCC1(O)CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000270222862 427321488 /nfs/dbraw/zinc/32/14/88/427321488.db2.gz HGCDVZOPCGOIHD-UHFFFAOYSA-N 1 0 301.386 2.519 20 10 DFCDRO COc1cc(N2CC[NH+](C3CCCC3)CC2)cc(OC)c1OC ZINC000183698071 427321900 /nfs/dbraw/zinc/32/19/00/427321900.db2.gz JQEIPUGSTUISEL-UHFFFAOYSA-N 1 0 320.433 2.777 20 10 DFCDRO CCOc1ccc(O)c(CN(C)Cc2nc([C@H](C)OC)no2)c1 ZINC000271210162 427452504 /nfs/dbraw/zinc/45/25/04/427452504.db2.gz LJDMLLKTDFVCRV-NSHDSACASA-N 1 0 321.377 2.513 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1C ZINC000271232880 427463070 /nfs/dbraw/zinc/46/30/70/427463070.db2.gz RCXLPVMGENFEJF-KRWDZBQOSA-N 1 0 303.377 2.841 20 10 DFCDRO COc1c(O)c(C[N@H+](C)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000278192417 427423818 /nfs/dbraw/zinc/42/38/18/427423818.db2.gz IEVAASASINJVCL-UHFFFAOYSA-N 1 0 318.329 2.647 20 10 DFCDRO CCN(CC)c1ccc(C[NH+]2CCC(CNC(C)=O)CC2)cc1 ZINC000271158315 427425497 /nfs/dbraw/zinc/42/54/97/427425497.db2.gz WVPKUZMVDFHRBP-UHFFFAOYSA-N 1 0 317.477 2.881 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c1O ZINC000271166362 427427795 /nfs/dbraw/zinc/42/77/95/427427795.db2.gz CDBHNDGAAKFRGE-HNNXBMFYSA-N 1 0 314.385 2.839 20 10 DFCDRO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccccc3O)C2=O)cc1 ZINC000191807514 427429602 /nfs/dbraw/zinc/42/96/02/427429602.db2.gz VMMPJMFFHNTDSW-QGZVFWFLSA-N 1 0 310.397 2.591 20 10 DFCDRO CCOC1CC(O)(C[NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000278428508 427440519 /nfs/dbraw/zinc/44/05/19/427440519.db2.gz JDXZYZCNTICWJE-LXPRWKDFSA-N 1 0 306.450 2.723 20 10 DFCDRO COc1c([O-])c(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278483259 427441774 /nfs/dbraw/zinc/44/17/74/427441774.db2.gz JQVICCKLAJTZFB-TZMCWYRMSA-N 1 0 324.377 2.602 20 10 DFCDRO CCOCc1cc(C[NH2+][C@H](COC)[C@H]2CCCO2)ccc1OC ZINC000278545152 427444399 /nfs/dbraw/zinc/44/43/99/427444399.db2.gz ANXWAOHOCLGIEO-SJLPKXTDSA-N 1 0 323.433 2.515 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278616552 427447180 /nfs/dbraw/zinc/44/71/80/427447180.db2.gz FHEFAMMLRIWQOC-CYBMUJFWSA-N 1 0 324.377 2.556 20 10 DFCDRO COCCC[N@H+](CCOC)Cc1cc(Cl)cc(OC)c1O ZINC000184682837 427517643 /nfs/dbraw/zinc/51/76/43/427517643.db2.gz KYPMFAMETXWJRN-UHFFFAOYSA-N 1 0 317.813 2.539 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000294030385 427526331 /nfs/dbraw/zinc/52/63/31/427526331.db2.gz HQWBSUBTNJSVKJ-HUUCEWRRSA-N 1 0 321.440 2.663 20 10 DFCDRO C[NH+](C)CCCCCCCNC(=O)NCc1ccccc1O ZINC000263682548 427540151 /nfs/dbraw/zinc/54/01/51/427540151.db2.gz FCVUBEJPUOHAJA-UHFFFAOYSA-N 1 0 307.438 2.704 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000184914583 427564173 /nfs/dbraw/zinc/56/41/73/427564173.db2.gz XLOCIGAAGLWLGC-OWCLPIDISA-N 1 0 306.450 2.851 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184914400 427564829 /nfs/dbraw/zinc/56/48/29/427564829.db2.gz BLWTZZVZQOOJAE-ZNMIVQPWSA-N 1 0 322.449 2.551 20 10 DFCDRO C[C@H]([NH2+]CCCN1C[C@H](C)O[C@@H](C)C1)c1cc(F)ccc1O ZINC000184914810 427565601 /nfs/dbraw/zinc/56/56/01/427565601.db2.gz YNOCBCYZKBODHU-IHRRRGAJSA-N 1 0 310.413 2.681 20 10 DFCDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184981472 427572493 /nfs/dbraw/zinc/57/24/93/427572493.db2.gz XISCUPLRYZQRMS-CYBMUJFWSA-N 1 0 304.434 2.836 20 10 DFCDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000185004872 427578601 /nfs/dbraw/zinc/57/86/01/427578601.db2.gz HXIRLGINLGOUIG-IPELMVKDSA-N 1 0 323.440 2.903 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000271811372 427586182 /nfs/dbraw/zinc/58/61/82/427586182.db2.gz KYSHLQAKWDXMCW-CQSZACIVSA-N 1 0 323.458 2.935 20 10 DFCDRO C[C@@H]([NH2+][C@H](C)[C@@H](C)N1CCOCC1)c1cc(Cl)ccc1O ZINC000185375723 427641934 /nfs/dbraw/zinc/64/19/34/427641934.db2.gz GIQHOBGYYKDGGP-JHJVBQTASA-N 1 0 312.841 2.805 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c(O)c1 ZINC000185444272 427654231 /nfs/dbraw/zinc/65/42/31/427654231.db2.gz UTTTXXSPBNFNKP-CQSZACIVSA-N 1 0 304.434 3.000 20 10 DFCDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185467640 427656330 /nfs/dbraw/zinc/65/63/30/427656330.db2.gz LAHFZPSUBDJFBI-ACJLOTCBSA-N 1 0 307.434 2.709 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294825165 427660879 /nfs/dbraw/zinc/66/08/79/427660879.db2.gz PIDSVZXRJOQTTN-ZDUSSCGKSA-N 1 0 320.433 2.514 20 10 DFCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)CN1CCOCC1 ZINC000185504644 427664334 /nfs/dbraw/zinc/66/43/34/427664334.db2.gz VPXWTQNHRUAITK-STQMWFEESA-N 1 0 312.841 2.665 20 10 DFCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H](c2cccnc2)C1 ZINC000295003462 427668477 /nfs/dbraw/zinc/66/84/77/427668477.db2.gz LMWXUTPFRWRUMY-WBVHZDCISA-N 1 0 302.349 2.936 20 10 DFCDRO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185774690 427703088 /nfs/dbraw/zinc/70/30/88/427703088.db2.gz SBTCEWWJUPHPKN-GXTWGEPZSA-N 1 0 316.405 2.624 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000279746736 427718454 /nfs/dbraw/zinc/71/84/54/427718454.db2.gz XQRFIUDBAUGCDH-CYBMUJFWSA-N 1 0 302.340 2.728 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(SC)CCOCC2)c1 ZINC000186081015 427745824 /nfs/dbraw/zinc/74/58/24/427745824.db2.gz MVZLJPONAWSZJG-GFCCVEGCSA-N 1 0 311.447 2.964 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1cc(F)ccc1O ZINC000359963001 428096649 /nfs/dbraw/zinc/09/66/49/428096649.db2.gz XUMVXDVBBWCMOQ-JSGCOSHPSA-N 1 0 316.380 2.641 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC000360252752 428223553 /nfs/dbraw/zinc/22/35/53/428223553.db2.gz FPGYEHVBAFOASZ-CVEARBPZSA-N 1 0 304.434 2.897 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCN(c2ccncn2)C1 ZINC000370765808 428294937 /nfs/dbraw/zinc/29/49/37/428294937.db2.gz GLWRZKMKPXDHCW-AWEZNQCLSA-N 1 0 318.808 2.594 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1O ZINC000360338835 428259427 /nfs/dbraw/zinc/25/94/27/428259427.db2.gz VDKSWZLIIFPJCE-CABCVRRESA-N 1 0 312.417 2.749 20 10 DFCDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)/C=C/c1cncc(F)c1 ZINC000371221677 428377485 /nfs/dbraw/zinc/37/74/85/428377485.db2.gz YXRLEVILLAGXAL-GQCTYLIASA-N 1 0 311.360 2.672 20 10 DFCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2Cn2cccn2)c1O ZINC000371371616 428386983 /nfs/dbraw/zinc/38/69/83/428386983.db2.gz CLPZPFAZUITGLC-OAHLLOKOSA-N 1 0 301.390 2.652 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC23CCOCC3)c1O ZINC000372455474 428448266 /nfs/dbraw/zinc/44/82/66/428448266.db2.gz AOOJMXRKDZKRKD-UHFFFAOYSA-N 1 0 307.365 2.879 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000373053000 428516092 /nfs/dbraw/zinc/51/60/92/428516092.db2.gz RNXMBXRZJUZLLE-QFBILLFUSA-N 1 0 323.440 2.918 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000372598401 428471350 /nfs/dbraw/zinc/47/13/50/428471350.db2.gz GYCGNXJJESCGSJ-KBPBESRZSA-N 1 0 315.417 2.760 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000372597436 428472123 /nfs/dbraw/zinc/47/21/23/428472123.db2.gz ZFQTYWPMCZJWSJ-UONOGXRCSA-N 1 0 301.390 2.995 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000373477847 428588043 /nfs/dbraw/zinc/58/80/43/428588043.db2.gz CCFXCEKDXDTVJH-ROUUACIJSA-N 1 0 304.434 2.523 20 10 DFCDRO O=C([C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O)N1CCCC1 ZINC000361049385 428533277 /nfs/dbraw/zinc/53/32/77/428533277.db2.gz CMILEFZMKBBEHW-OAHLLOKOSA-N 1 0 306.381 2.508 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1O ZINC000362088424 428617038 /nfs/dbraw/zinc/61/70/38/428617038.db2.gz WCUFMHCAYKJOMA-CYBMUJFWSA-N 1 0 301.390 2.514 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000289835622 274114550 /nfs/dbraw/zinc/11/45/50/274114550.db2.gz ULTAJROGPLUCAI-AWEZNQCLSA-N 1 0 319.323 2.680 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373979276 428658103 /nfs/dbraw/zinc/65/81/03/428658103.db2.gz WDZFPLGGDDAATK-XNJGSVPQSA-N 1 0 309.381 2.690 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC000374269994 428671885 /nfs/dbraw/zinc/67/18/85/428671885.db2.gz PDTDHXYDBBJJGZ-YJBOKZPZSA-N 1 0 321.417 2.609 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CN2CCCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000362310495 428697877 /nfs/dbraw/zinc/69/78/77/428697877.db2.gz RUYSEBYIKFAGEP-SNRMKQJTSA-N 1 0 317.477 2.657 20 10 DFCDRO Cc1noc(C2(C)CC[NH+](Cc3cc(C)ccc3O)CC2)n1 ZINC000374741489 428743612 /nfs/dbraw/zinc/74/36/12/428743612.db2.gz AUYGAEMXKDBJEJ-UHFFFAOYSA-N 1 0 301.390 2.946 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c1 ZINC000363860130 428999692 /nfs/dbraw/zinc/99/96/92/428999692.db2.gz GHESAQCIPMAOOJ-RISCZKNCSA-N 1 0 313.401 2.707 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)c(O)c1C ZINC000363866624 429131469 /nfs/dbraw/zinc/13/14/69/429131469.db2.gz INBLCXSQXROICB-AWEZNQCLSA-N 1 0 323.400 2.836 20 10 DFCDRO COC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1cc(OC)ccc1O)C2 ZINC000364630382 429238962 /nfs/dbraw/zinc/23/89/62/429238962.db2.gz HCLGRXWFIGSECV-LXIYXOSZSA-N 1 0 319.401 2.737 20 10 DFCDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)/C=C/c1cccnc1 ZINC000365493989 429330191 /nfs/dbraw/zinc/33/01/91/429330191.db2.gz PUGVVBYALJSMKJ-RRGWEWPQSA-N 1 0 309.369 2.540 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000365524452 429335036 /nfs/dbraw/zinc/33/50/36/429335036.db2.gz ANBZNZZTVALIOT-GDBMZVCRSA-N 1 0 316.405 2.528 20 10 DFCDRO OC[C@]1(c2ccccc2)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000365838229 429384013 /nfs/dbraw/zinc/38/40/13/429384013.db2.gz OUYREVWIWCZCQW-SFHVURJKSA-N 1 0 301.361 2.667 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000367321130 429620470 /nfs/dbraw/zinc/62/04/70/429620470.db2.gz CZWXKLYHJDKLHO-MRXNPFEDSA-N 1 0 312.417 2.846 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1O ZINC000367457446 429651265 /nfs/dbraw/zinc/65/12/65/429651265.db2.gz GMVWCRDMSDNXJU-JKSUJKDBSA-N 1 0 307.365 2.877 20 10 DFCDRO Oc1ccc(Cl)cc1CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000367535153 429667431 /nfs/dbraw/zinc/66/74/31/429667431.db2.gz DQLMSDCMXORBAA-CQSZACIVSA-N 1 0 312.866 2.669 20 10 DFCDRO COCCn1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1ccccc1O)CCC2 ZINC000368187396 429805642 /nfs/dbraw/zinc/80/56/42/429805642.db2.gz FWLXYNHLSFHXTM-BBRMVZONSA-N 1 0 315.417 2.963 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000368103822 429789725 /nfs/dbraw/zinc/78/97/25/429789725.db2.gz YXJWPXAHPNFTBE-QZTJIDSGSA-N 1 0 323.440 2.776 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccncn3)C2)c1 ZINC000368330592 429831102 /nfs/dbraw/zinc/83/11/02/429831102.db2.gz GWKKWAZLHJAZET-HUUCEWRRSA-N 1 0 312.417 2.810 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(O)c1C ZINC000368334946 429831762 /nfs/dbraw/zinc/83/17/62/429831762.db2.gz XFOFCPVXMICYLZ-YYWXWVFPSA-N 1 0 302.418 2.669 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(O)c1C ZINC000368334945 429831862 /nfs/dbraw/zinc/83/18/62/429831862.db2.gz XFOFCPVXMICYLZ-UZMCECQYSA-N 1 0 302.418 2.669 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1C ZINC000369098392 429912803 /nfs/dbraw/zinc/91/28/03/429912803.db2.gz DARWZKXPKBOUIZ-QGZVFWFLSA-N 1 0 315.417 2.678 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCc2nnc(C)n2C1)c1ccc(N(C)C)cc1 ZINC000369474091 429952366 /nfs/dbraw/zinc/95/23/66/429952366.db2.gz XVGQSUGPZPVZMQ-RDJZCZTQSA-N 1 0 313.449 2.708 20 10 DFCDRO COCCC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000529638684 430044386 /nfs/dbraw/zinc/04/43/86/430044386.db2.gz VKSDTDQLGOMQSQ-UHFFFAOYSA-N 1 0 309.406 2.658 20 10 DFCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)N1CCOCC1 ZINC000184935281 278284188 /nfs/dbraw/zinc/28/41/88/278284188.db2.gz KWFGWTWZCPRMCQ-GJZGRUSLSA-N 1 0 314.429 2.917 20 10 DFCDRO CCOc1cccc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000227690096 279970814 /nfs/dbraw/zinc/97/08/14/279970814.db2.gz QGOZULFZNBIVFS-GFCCVEGCSA-N 1 0 324.421 2.794 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000365653578 280218917 /nfs/dbraw/zinc/21/89/17/280218917.db2.gz LZJMVVSJJPQENN-HYVNUMGLSA-N 1 0 304.434 2.638 20 10 DFCDRO CCOc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1O ZINC000077220968 331673780 /nfs/dbraw/zinc/67/37/80/331673780.db2.gz JSXLNFUGRDLEQA-UHFFFAOYSA-N 1 0 302.330 2.989 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1O ZINC000128203523 332010728 /nfs/dbraw/zinc/01/07/28/332010728.db2.gz RGGIDXCLQGTJDU-RDTXWAMCSA-N 1 0 321.392 2.861 20 10 DFCDRO CCN(CC)c1ccc(C[NH+]2CCC(N(C)C(C)=O)CC2)cc1 ZINC000092538886 332128262 /nfs/dbraw/zinc/12/82/62/332128262.db2.gz YBNPNADOYSIAMG-UHFFFAOYSA-N 1 0 317.477 2.976 20 10 DFCDRO CCOCc1cc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)ccc1OC ZINC000292889658 335097203 /nfs/dbraw/zinc/09/72/03/335097203.db2.gz CWOQHSCOUFCBQX-KDOFPFPSSA-N 1 0 307.434 2.872 20 10 DFCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccnc1 ZINC000293562478 335108989 /nfs/dbraw/zinc/10/89/89/335108989.db2.gz GDKGGZDWAJKVDR-SFHVURJKSA-N 1 0 312.413 2.866 20 10 DFCDRO Cc1cccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1O ZINC000293589202 335109820 /nfs/dbraw/zinc/10/98/20/335109820.db2.gz IJOSVCXEPXDEMK-QGZVFWFLSA-N 1 0 300.402 2.945 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CSCCS2)c1O ZINC000169091233 332613841 /nfs/dbraw/zinc/61/38/41/332613841.db2.gz OLAIVRAIYONWQB-LLVKDONJSA-N 1 0 319.879 2.992 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000363799144 333171329 /nfs/dbraw/zinc/17/13/29/333171329.db2.gz RSDBRRJTWIWTHB-UHFFFAOYSA-N 1 0 316.445 2.572 20 10 DFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295440676 335134927 /nfs/dbraw/zinc/13/49/27/335134927.db2.gz UNPJUSAOAKHDBY-CQSZACIVSA-N 1 0 301.745 2.570 20 10 DFCDRO COc1cc(Cl)cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000184694498 333364187 /nfs/dbraw/zinc/36/41/87/333364187.db2.gz QBRZRMAJNVXBTN-SMDDNHRTSA-N 1 0 310.825 2.723 20 10 DFCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000295904016 335138329 /nfs/dbraw/zinc/13/83/29/335138329.db2.gz IUECYSFPOPSLKP-DOTOQJQBSA-N 1 0 313.397 2.717 20 10 DFCDRO COC1CCN(c2ccc(CN3CCC(=O)[C@H](C)C3)cc2)CC1 ZINC000295834942 335139914 /nfs/dbraw/zinc/13/99/14/335139914.db2.gz WJKKEXLAJKWMTL-OAHLLOKOSA-N 1 0 316.445 2.713 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC3(CCOCC3)[C@H]1O)CC2 ZINC000296476057 335142152 /nfs/dbraw/zinc/14/21/52/335142152.db2.gz OUFRMFQSUHKXOF-DAYGRLMNSA-N 1 0 317.429 2.537 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CO)C3)cc2)CC1 ZINC000296566605 335146424 /nfs/dbraw/zinc/14/64/24/335146424.db2.gz QAOYJZDYYLXNJT-QGZVFWFLSA-N 1 0 318.461 2.506 20 10 DFCDRO OC[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297070541 335149183 /nfs/dbraw/zinc/14/91/83/335149183.db2.gz WJBOUQKVDKGIKT-CVEARBPZSA-N 1 0 301.361 2.712 20 10 DFCDRO CS(=O)(=O)CC1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297265820 335152224 /nfs/dbraw/zinc/15/22/24/335152224.db2.gz KIQYFSLQRMPGGX-PESDSKBTSA-N 1 0 323.458 2.573 20 10 DFCDRO CCCCOC[C@@H](O)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000571515917 333813167 /nfs/dbraw/zinc/81/31/67/333813167.db2.gz FOASGOWQICOKAH-HNNXBMFYSA-N 1 0 304.434 2.754 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@@]2(C)CCOC2)c1O ZINC000271823021 334027586 /nfs/dbraw/zinc/02/75/86/334027586.db2.gz NFUDDKVTFIPEGF-ZDUSSCGKSA-N 1 0 300.196 2.732 20 10 DFCDRO CCN(CC)c1ccc(CN2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000274173940 334056044 /nfs/dbraw/zinc/05/60/44/334056044.db2.gz XASUIFMBNUHINS-QGZVFWFLSA-N 1 0 324.490 2.542 20 10 DFCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352110449 336195311 /nfs/dbraw/zinc/19/53/11/336195311.db2.gz CQMVJKHSSSJBHJ-KRWDZBQOSA-N 1 0 313.445 2.977 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)c1O ZINC000367347812 336675745 /nfs/dbraw/zinc/67/57/45/336675745.db2.gz BHRQATMVZYANRS-UONOGXRCSA-N 1 0 308.809 2.597 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1 ZINC000360253117 336706342 /nfs/dbraw/zinc/70/63/42/336706342.db2.gz GZMPMJHVLHLKCM-HNNXBMFYSA-N 1 0 313.401 2.536 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1 ZINC000362293846 336791023 /nfs/dbraw/zinc/79/10/23/336791023.db2.gz PUDIMTGWZINARG-BEFAXECRSA-N 1 0 317.477 2.657 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CCC3(O)CCC3)CC2)cc1 ZINC000368488900 336846009 /nfs/dbraw/zinc/84/60/09/336846009.db2.gz VBXSFSNPALYDNZ-UHFFFAOYSA-N 1 0 304.434 2.559 20 10 DFCDRO CCCOc1ccc(C[NH+]2CCC3(CCOC3=O)CC2)c(O)c1 ZINC000371331843 336900659 /nfs/dbraw/zinc/90/06/59/336900659.db2.gz LBJLYEFJAFLVHU-UHFFFAOYSA-N 1 0 319.401 2.710 20 10 DFCDRO CN1CCc2cc(C[NH2+]C[C@]3(C)CCO[C@@H]3C3CC3)ccc21 ZINC000372069325 336921252 /nfs/dbraw/zinc/92/12/52/336921252.db2.gz YLHYBPHGNJNYAR-MOPGFXCFSA-N 1 0 300.446 2.974 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000373599870 336966300 /nfs/dbraw/zinc/96/63/00/336966300.db2.gz ZWARHRYQFDWMJU-MRXNPFEDSA-N 1 0 302.418 2.834 20 10 DFCDRO COCCn1ncc2c1[C@H]([NH2+][C@H](C)c1ccccc1O)CCC2 ZINC000375198502 337005639 /nfs/dbraw/zinc/00/56/39/337005639.db2.gz WXESNOGDAHJSDV-CZUORRHYSA-N 1 0 315.417 2.963 20 10 DFCDRO COCCn1ncc2c1[C@@H]([NH2+][C@H](C)c1ccccc1O)CCC2 ZINC000375198500 337005691 /nfs/dbraw/zinc/00/56/91/337005691.db2.gz WXESNOGDAHJSDV-CJNGLKHVSA-N 1 0 315.417 2.963 20 10 DFCDRO COc1cccc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1O ZINC000375272742 337006965 /nfs/dbraw/zinc/00/69/65/337006965.db2.gz SDKZAUABSHSLDG-UHFFFAOYSA-N 1 0 301.390 2.812 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)c1O ZINC000375276303 337007045 /nfs/dbraw/zinc/00/70/45/337007045.db2.gz ROIFVBAAMJPMTF-AWEZNQCLSA-N 1 0 312.413 2.799 20 10 DFCDRO CC[C@H](C)[C@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305163434 337016741 /nfs/dbraw/zinc/01/67/41/337016741.db2.gz XQPKHTGTTUVKFH-KBXCAEBGSA-N 1 0 306.450 2.661 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000376770528 337040742 /nfs/dbraw/zinc/04/07/42/337040742.db2.gz BKLOZCMHJNGLKE-IEBWSBKVSA-N 1 0 315.461 2.680 20 10 DFCDRO CN1CC[C@@H](C[NH2+]Cc2cc(F)ccc2O)[C@@H]1c1cccnc1 ZINC000377256541 337049587 /nfs/dbraw/zinc/04/95/87/337049587.db2.gz LHMQVWLESMECSO-KSSFIOAISA-N 1 0 315.392 2.709 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c1 ZINC000377543097 337054716 /nfs/dbraw/zinc/05/47/16/337054716.db2.gz PIWYCMVACLODSB-APYUEPQZSA-N 1 0 318.417 2.580 20 10 DFCDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377842296 337062329 /nfs/dbraw/zinc/06/23/29/337062329.db2.gz ICGBLNOVEAQMOD-LJQANCHMSA-N 1 0 318.461 2.508 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000377836817 337062371 /nfs/dbraw/zinc/06/23/71/337062371.db2.gz GDBRCWSXZCPRHU-INIZCTEOSA-N 1 0 312.417 2.558 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](OC)C(C)C)CC2)cc1 ZINC000378184931 337067905 /nfs/dbraw/zinc/06/79/05/337067905.db2.gz PCROGWMIBYEJIA-GOSISDBHSA-N 1 0 306.450 2.925 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)c1 ZINC000378349539 337070548 /nfs/dbraw/zinc/07/05/48/337070548.db2.gz KFUBZZFPLTWYOA-CYBMUJFWSA-N 1 0 317.389 2.862 20 10 DFCDRO CCC[C@@H](C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)[NH+](C)C ZINC000378542819 337075409 /nfs/dbraw/zinc/07/54/09/337075409.db2.gz PAHICJYOADCLGV-SFHVURJKSA-N 1 0 315.461 2.709 20 10 DFCDRO Cc1cc(C(=O)NC[C@H]2CCC[NH2+]2)c(C)n1-c1ccccc1C ZINC000178784220 337165065 /nfs/dbraw/zinc/16/50/65/337165065.db2.gz ILGJUXRPHQSYCU-MRXNPFEDSA-N 1 0 311.429 2.884 20 10 DFCDRO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000178671394 337166003 /nfs/dbraw/zinc/16/60/03/337166003.db2.gz ZJDJEKBQESXOSW-LLVKDONJSA-N 1 0 303.381 2.700 20 10 DFCDRO Cc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)c(C)n1-c1ccccc1C ZINC000179117888 337167964 /nfs/dbraw/zinc/16/79/64/337167964.db2.gz JFGGBQNHJZSVKU-INIZCTEOSA-N 1 0 311.429 2.836 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1O ZINC000179907183 337172521 /nfs/dbraw/zinc/17/25/21/337172521.db2.gz YKCWTZQVHQJQQJ-QGZVFWFLSA-N 1 0 305.418 2.861 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000179907665 337172532 /nfs/dbraw/zinc/17/25/32/337172532.db2.gz NHYPZBKBEGCIKF-QGZVFWFLSA-N 1 0 321.417 2.561 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000180622011 337176809 /nfs/dbraw/zinc/17/68/09/337176809.db2.gz MHKCCCAIRQIBRZ-HIFRSBDPSA-N 1 0 313.449 2.572 20 10 DFCDRO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185775648 337251249 /nfs/dbraw/zinc/25/12/49/337251249.db2.gz BOCNWAHSKZLNBY-TZMCWYRMSA-N 1 0 316.405 2.624 20 10 DFCDRO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)CC2 ZINC000185997557 337252436 /nfs/dbraw/zinc/25/24/36/337252436.db2.gz JWSNGWWPPJDTFU-DGCLKSJQSA-N 1 0 318.396 2.912 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186491790 337256634 /nfs/dbraw/zinc/25/66/34/337256634.db2.gz NKPSVJYRVZCAKG-UHFFFAOYSA-N 1 0 306.475 2.851 20 10 DFCDRO Cc1cccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1O ZINC000189897280 337282678 /nfs/dbraw/zinc/28/26/78/337282678.db2.gz LTKFCXOVCNSTGE-UHFFFAOYSA-N 1 0 312.417 2.623 20 10 DFCDRO CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Cl)ccc2O)C1 ZINC000190146172 337285167 /nfs/dbraw/zinc/28/51/67/337285167.db2.gz ONWNNEPQVKQBPW-CHWSQXEVSA-N 1 0 323.780 2.699 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CCCn3cccn3)CC2)cc1 ZINC000127055073 337419006 /nfs/dbraw/zinc/41/90/06/337419006.db2.gz YEPXUGSWGOYTMV-UHFFFAOYSA-N 1 0 314.433 2.540 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)ccc1OC ZINC000249976234 337572735 /nfs/dbraw/zinc/57/27/35/337572735.db2.gz YDZWZYNOMPACGV-JZXOWHBKSA-N 1 0 305.418 2.889 20 10 DFCDRO Cc1cc(C(=O)NCC2C[NH2+]C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000262020089 337614365 /nfs/dbraw/zinc/61/43/65/337614365.db2.gz MEOCMKSHYRSKQC-UHFFFAOYSA-N 1 0 311.429 2.660 20 10 DFCDRO Cc1cc(C(=O)N[C@@H](C)C[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000262512417 337618818 /nfs/dbraw/zinc/61/88/18/337618818.db2.gz DVIBIXOQUWEEOC-JTQLQIEISA-N 1 0 305.809 2.825 20 10 DFCDRO FC(F)(F)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)n1cccn1 ZINC000527743338 337760646 /nfs/dbraw/zinc/76/06/46/337760646.db2.gz NETKWASXLOMCLR-AWEZNQCLSA-N 1 0 311.307 2.711 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(n3cccn3)CC2)c1O ZINC000092617871 337906699 /nfs/dbraw/zinc/90/66/99/337906699.db2.gz DAKOQAVYNGWWAG-UHFFFAOYSA-N 1 0 301.390 2.825 20 10 DFCDRO CCC(CC)[C@H](O)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000230934664 340621423 /nfs/dbraw/zinc/62/14/23/340621423.db2.gz YSPXXUUKFGPXAS-CYBMUJFWSA-N 1 0 301.814 2.941 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H](C)c2nnc3ccccn32)c1O ZINC000236922255 340666335 /nfs/dbraw/zinc/66/63/35/340666335.db2.gz DXBIYBYDGGNJJK-LBPRGKRZSA-N 1 0 312.373 2.684 20 10 DFCDRO COC[C@]1([NH2+]Cc2cc(F)ccc2O)COc2ccccc2C1 ZINC000529669926 340767386 /nfs/dbraw/zinc/76/73/86/340767386.db2.gz XGNZHENMPURNKN-SFHVURJKSA-N 1 0 317.360 2.641 20 10 DFCDRO Oc1ccc(Br)cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530178581 340781721 /nfs/dbraw/zinc/78/17/21/340781721.db2.gz OPXRSUIIDHAVAS-CYBMUJFWSA-N 1 0 311.223 2.529 20 10 DFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179915869 518837762 /nfs/dbraw/zinc/83/77/62/518837762.db2.gz PRZXKLFVJXDYFH-CYBMUJFWSA-N 1 0 310.369 2.630 20 10 DFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000264964669 519655223 /nfs/dbraw/zinc/65/52/23/519655223.db2.gz BCKOOOJXAHKPHC-QGZVFWFLSA-N 1 0 303.450 2.584 20 10 DFCDRO CCOCc1cc(C[NH2+]C[C@@H](O)c2ccc(C)o2)ccc1OC ZINC000265917671 520186788 /nfs/dbraw/zinc/18/67/88/520186788.db2.gz BPAMUHSMDLKUMJ-MRXNPFEDSA-N 1 0 319.401 2.956 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](OCCOC)C2)cc1 ZINC000188811799 520896681 /nfs/dbraw/zinc/89/66/81/520896681.db2.gz LDPDVSJYTZZPSB-GOSISDBHSA-N 1 0 306.450 2.770 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000167858179 521040425 /nfs/dbraw/zinc/04/04/25/521040425.db2.gz MUAHOKRMAVLVIN-KRWDZBQOSA-N 1 0 315.461 2.539 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1O ZINC000122077302 521335510 /nfs/dbraw/zinc/33/55/10/521335510.db2.gz LHTGALBZCKSLHS-UHFFFAOYSA-N 1 0 315.417 2.900 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1O ZINC000180125867 521341309 /nfs/dbraw/zinc/34/13/09/521341309.db2.gz MENGTYUTAYCRFY-INIZCTEOSA-N 1 0 315.417 2.960 20 10 DFCDRO CCOC(=O)c1csc(CC[NH2+]Cc2cc(C)ccc2O)n1 ZINC000190348307 521588367 /nfs/dbraw/zinc/58/83/67/521588367.db2.gz YYOOSNYCLWAQAS-UHFFFAOYSA-N 1 0 320.414 2.666 20 10 DFCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCC(NC(C)=O)CC1 ZINC000194978942 521697459 /nfs/dbraw/zinc/69/74/59/521697459.db2.gz WQIMPDORPOZONQ-UHFFFAOYSA-N 1 0 303.450 2.809 20 10 DFCDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000183050921 521819419 /nfs/dbraw/zinc/81/94/19/521819419.db2.gz RHEHUFXTAOTESM-LSDHHAIUSA-N 1 0 305.466 2.735 20 10 DFCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OC)c1O ZINC000266972341 522313503 /nfs/dbraw/zinc/31/35/03/522313503.db2.gz OTTCQJIDSVORPD-MRXNPFEDSA-N 1 0 301.386 2.748 20 10 DFCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000236951711 522366793 /nfs/dbraw/zinc/36/67/93/522366793.db2.gz GCUFGPSDHKUTCO-QAPCUYQASA-N 1 0 317.477 2.913 20 10 DFCDRO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1ccccc1O)CC2 ZINC000156506149 522531175 /nfs/dbraw/zinc/53/11/75/522531175.db2.gz OBVQFVJMIDMLCL-OCCSQVGLSA-N 1 0 300.406 2.602 20 10 DFCDRO COc1cc(O)c(C[N@H+](CCCO)CC(C)(C)C)cc1OC ZINC000180074289 522771823 /nfs/dbraw/zinc/77/18/23/522771823.db2.gz VQCVIXSCQKSJKF-UHFFFAOYSA-N 1 0 311.422 2.640 20 10 DFCDRO COC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000188362360 522868903 /nfs/dbraw/zinc/86/89/03/522868903.db2.gz YSSUAXXBZVLSMZ-QFBILLFUSA-N 1 0 318.461 2.913 20 10 DFCDRO C[N@H+](CC[C@@H]1CCCO1)Cc1ccc(N2CCOCC2)cc1 ZINC000191660023 522930852 /nfs/dbraw/zinc/93/08/52/522930852.db2.gz PLUWUYNHDJOROI-SFHVURJKSA-N 1 0 304.434 2.524 20 10 DFCDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc(N)cc2)C1 ZINC000236938565 523245830 /nfs/dbraw/zinc/24/58/30/523245830.db2.gz VVJPSNJCZISWCF-OAHLLOKOSA-N 1 0 317.477 2.828 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@@H]3C[C@@H](CO)c4ccccc43)ccc21 ZINC000364987362 523996960 /nfs/dbraw/zinc/99/69/60/523996960.db2.gz FMWIPNTTZDNMGO-QFBILLFUSA-N 1 0 308.425 2.989 20 10 DFCDRO COCCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000237152348 524045481 /nfs/dbraw/zinc/04/54/81/524045481.db2.gz JEQQBFXUORLTNX-UHFFFAOYSA-N 1 0 317.385 2.716 20 10 DFCDRO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1O ZINC000180078880 524379707 /nfs/dbraw/zinc/37/97/07/524379707.db2.gz RGBSGRUQXPVEGO-INIZCTEOSA-N 1 0 312.417 2.591 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1O ZINC000180522096 524387350 /nfs/dbraw/zinc/38/73/50/524387350.db2.gz MORSOASAASOHTM-UHFFFAOYSA-N 1 0 302.418 2.678 20 10 DFCDRO Cc1cccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000179930843 524392431 /nfs/dbraw/zinc/39/24/31/524392431.db2.gz STLYMGAGFZIUPW-OAHLLOKOSA-N 1 0 304.434 2.685 20 10 DFCDRO COc1ccc(N2CC[NH+](C[C@@H]3CC[C@@H](C)O3)CC2)cc1F ZINC000190671972 524427539 /nfs/dbraw/zinc/42/75/39/524427539.db2.gz YEOXMFLDUHOIGK-HIFRSBDPSA-N 1 0 308.397 2.524 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181923642 524742516 /nfs/dbraw/zinc/74/25/16/524742516.db2.gz OYOGDGHZUMECOC-SFHVURJKSA-N 1 0 313.397 2.844 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000180614871 524742852 /nfs/dbraw/zinc/74/28/52/524742852.db2.gz ZYRJLFONWBQFIR-HNNXBMFYSA-N 1 0 301.390 2.570 20 10 DFCDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000191668177 525180441 /nfs/dbraw/zinc/18/04/41/525180441.db2.gz JNHZQYSPESPRSP-KRWDZBQOSA-N 1 0 307.390 2.542 20 10 DFCDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182387904 525206788 /nfs/dbraw/zinc/20/67/88/525206788.db2.gz CRICAKNBFTUUAT-SGTLLEGYSA-N 1 0 317.385 2.794 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1 ZINC000128241179 525343862 /nfs/dbraw/zinc/34/38/62/525343862.db2.gz FAVRCMKCXYJAEI-INIZCTEOSA-N 1 0 314.385 2.574 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@](C)(O)C2)c1O ZINC000180377085 526156345 /nfs/dbraw/zinc/15/63/45/526156345.db2.gz JSDDRUIFFKGBME-AWEZNQCLSA-N 1 0 314.223 2.810 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)(O)C2)c1O ZINC000180377069 526156995 /nfs/dbraw/zinc/15/69/95/526156995.db2.gz JSDDRUIFFKGBME-CQSZACIVSA-N 1 0 314.223 2.810 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+](C)CC[C@@H](C)O)c1O ZINC000180307511 526158509 /nfs/dbraw/zinc/15/85/09/526158509.db2.gz RKMKQFNCRNRILO-SNVBAGLBSA-N 1 0 302.212 2.666 20 10 DFCDRO Cc1cc(C(=O)N(C)CC(C)(C)C[NH3+])c(C)n1-c1ccccn1 ZINC000262576297 526220252 /nfs/dbraw/zinc/22/02/52/526220252.db2.gz FVPPPYISNBSFEZ-UHFFFAOYSA-N 1 0 314.433 2.546 20 10 DFCDRO Oc1cc2c(cc1C[NH+]1CCC(c3nccs3)CC1)OCO2 ZINC000364925714 526335465 /nfs/dbraw/zinc/33/54/65/526335465.db2.gz FJSSTDNIVBXPAW-UHFFFAOYSA-N 1 0 318.398 2.957 20 10 DFCDRO OC[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000182977081 527616392 /nfs/dbraw/zinc/61/63/92/527616392.db2.gz ASKQSPKDHLXOKU-QGZVFWFLSA-N 1 0 313.397 2.928 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@]12CCCO2 ZINC000272681524 535411729 /nfs/dbraw/zinc/41/17/29/535411729.db2.gz NAUDYXSYEWKZOW-KZNAEPCWSA-N 1 0 322.424 2.708 20 10 DFCDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000288715903 535564315 /nfs/dbraw/zinc/56/43/15/535564315.db2.gz FOPGTYVBCLWPMJ-QGZVFWFLSA-N 1 0 309.381 2.718 20 10 DFCDRO CC[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(N(C)C)cc1 ZINC000287534517 535803305 /nfs/dbraw/zinc/80/33/05/535803305.db2.gz PATDZXJORBGYLM-QGZVFWFLSA-N 1 0 306.450 2.725 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3C)cc2)CC1 ZINC000295955034 536757611 /nfs/dbraw/zinc/75/76/11/536757611.db2.gz IWQDUACSAFVQQH-DNVCBOLYSA-N 1 0 318.461 2.816 20 10 DFCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1c(C)cc(C)cc1O)CC2 ZINC000284042910 282118434 /nfs/dbraw/zinc/11/84/34/282118434.db2.gz JYDXYYVXWRLPFF-OCCSQVGLSA-N 1 0 300.406 2.575 20 10 DFCDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079469478 185172958 /nfs/dbraw/zinc/17/29/58/185172958.db2.gz ALDZOPBZALNCKE-CQSZACIVSA-N 1 0 322.424 2.898 20 10 DFCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092456336 185319734 /nfs/dbraw/zinc/31/97/34/185319734.db2.gz SJJOBMZNWUMWNU-CYBMUJFWSA-N 1 0 307.390 2.566 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC000092706480 185335063 /nfs/dbraw/zinc/33/50/63/185335063.db2.gz CXXNVYADGXLPLD-HNNXBMFYSA-N 1 0 304.434 2.685 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000093646510 282289115 /nfs/dbraw/zinc/28/91/15/282289115.db2.gz JBODJXCJMOXSDQ-SJORKVTESA-N 1 0 324.490 2.540 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCc3nccn3C2)cc1F ZINC000364670272 282288901 /nfs/dbraw/zinc/28/89/01/282288901.db2.gz HHHVEOCETYHPBD-OAHLLOKOSA-N 1 0 316.424 2.783 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1F ZINC000194009918 282290729 /nfs/dbraw/zinc/29/07/29/282290729.db2.gz CODFUMHDRARXQB-XOKHGSTOSA-N 1 0 304.409 2.939 20 10 DFCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCOC3)C2)cc1 ZINC000088737132 398440735 /nfs/dbraw/zinc/44/07/35/398440735.db2.gz UTLUGAYOKPWIPY-CHWSQXEVSA-N 1 0 312.360 2.635 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(CO)CCOCC2)cc1 ZINC000090663421 398490815 /nfs/dbraw/zinc/49/08/15/398490815.db2.gz MNHLVENYGUHUDS-OAHLLOKOSA-N 1 0 306.450 2.582 20 10 DFCDRO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000090849895 398494610 /nfs/dbraw/zinc/49/46/10/398494610.db2.gz CYJMFVDNZCAYAQ-VQIMIIECSA-N 1 0 318.461 2.869 20 10 DFCDRO COc1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1C ZINC000030634518 398505074 /nfs/dbraw/zinc/50/50/74/398505074.db2.gz SJMOWRIOJLQPFH-UHFFFAOYSA-N 1 0 322.412 2.933 20 10 DFCDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2O)CN1 ZINC000092105159 398559101 /nfs/dbraw/zinc/55/91/01/398559101.db2.gz PBEPFSGROKZZLQ-BXUZGUMPSA-N 1 0 308.809 2.536 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(OC3CCOCC3)CC2)c1 ZINC000093141032 398621889 /nfs/dbraw/zinc/62/18/89/398621889.db2.gz DNQMPRRYNOYLNU-UHFFFAOYSA-N 1 0 305.418 2.861 20 10 DFCDRO C[N@H+](Cc1cc(Br)ccc1O)CC1(O)CCCC1 ZINC000093502952 398639364 /nfs/dbraw/zinc/63/93/64/398639364.db2.gz LCZPKJVCDJPIRV-UHFFFAOYSA-N 1 0 314.223 2.892 20 10 DFCDRO CNC(=O)C1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000268874053 283285425 /nfs/dbraw/zinc/28/54/25/283285425.db2.gz DMIORIHUMAXQSN-IUDNXUCKSA-N 1 0 303.450 2.708 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@]12CCCO2 ZINC000272690522 535412517 /nfs/dbraw/zinc/41/25/17/535412517.db2.gz PIWXJNNKTFMECV-KZNAEPCWSA-N 1 0 304.434 2.569 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000079188969 399022437 /nfs/dbraw/zinc/02/24/37/399022437.db2.gz BATBLOGNDBMLDY-UHFFFAOYSA-N 1 0 319.449 2.798 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3nc(C)no3)CC2)c1 ZINC000091836675 193115254 /nfs/dbraw/zinc/11/52/54/193115254.db2.gz SLOUMIRIMDPNIF-UHFFFAOYSA-N 1 0 317.389 2.862 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000092056895 193149715 /nfs/dbraw/zinc/14/97/15/193149715.db2.gz JEPDYWVAWJYTSM-UHFFFAOYSA-N 1 0 316.445 2.925 20 10 DFCDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000079434320 399043333 /nfs/dbraw/zinc/04/33/33/399043333.db2.gz YUTLSLNBRFLLGA-JKSUJKDBSA-N 1 0 309.381 2.859 20 10 DFCDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000079434322 399043454 /nfs/dbraw/zinc/04/34/54/399043454.db2.gz YUTLSLNBRFLLGA-CVEARBPZSA-N 1 0 309.381 2.859 20 10 DFCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093360536 193238793 /nfs/dbraw/zinc/23/87/93/193238793.db2.gz HPSRGHVABRAVCS-KRWDZBQOSA-N 1 0 315.461 2.635 20 10 DFCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cccc(OC)c2O)cc1 ZINC000093415660 193246535 /nfs/dbraw/zinc/24/65/35/193246535.db2.gz JEWDLNXCTLSFNA-MRXNPFEDSA-N 1 0 317.385 2.575 20 10 DFCDRO CCOc1cccc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1O ZINC000039552404 183020412 /nfs/dbraw/zinc/02/04/12/183020412.db2.gz NMKSRVNRTSGWJX-INIZCTEOSA-N 1 0 304.434 2.851 20 10 DFCDRO COc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1O ZINC000058093315 184074370 /nfs/dbraw/zinc/07/43/70/184074370.db2.gz JLGOMQBFHHPEKE-UHFFFAOYSA-N 1 0 302.330 2.641 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000366815214 335049501 /nfs/dbraw/zinc/04/95/01/335049501.db2.gz ZNCSXFGINUDESG-MPGHIAIKSA-N 1 0 305.418 2.859 20 10 DFCDRO COC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000280964134 285223277 /nfs/dbraw/zinc/22/32/77/285223277.db2.gz KUGPSPFEFNYDHI-NVXWUHKLSA-N 1 0 306.450 2.725 20 10 DFCDRO NC(=O)c1ccc(C[N@H+](Cc2cc(F)ccc2O)C2CC2)cc1 ZINC000272307635 130019173 /nfs/dbraw/zinc/01/91/73/130019173.db2.gz QWFKIGDZVQWIHF-UHFFFAOYSA-N 1 0 314.360 2.795 20 10 DFCDRO [O-]c1c(F)cccc1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000272378090 130023656 /nfs/dbraw/zinc/02/36/56/130023656.db2.gz HKIDBMDVILQTFO-CYBMUJFWSA-N 1 0 307.340 2.611 20 10 DFCDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000272625456 130047274 /nfs/dbraw/zinc/04/72/74/130047274.db2.gz ZBMVHRWUBXLADZ-AWEZNQCLSA-N 1 0 313.449 2.997 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCN(C)C2CCCC2)c1 ZINC000273361077 130110567 /nfs/dbraw/zinc/11/05/67/130110567.db2.gz AKPZYESBJMETIW-CYBMUJFWSA-N 1 0 320.433 2.704 20 10 DFCDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273426709 130120397 /nfs/dbraw/zinc/12/03/97/130120397.db2.gz ULMDNTOSBCUDEQ-LKFCYVNXSA-N 1 0 303.324 2.845 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c(O)c1C ZINC000273517856 130130638 /nfs/dbraw/zinc/13/06/38/130130638.db2.gz SVIDPGGRHAJREW-CYBMUJFWSA-N 1 0 313.463 2.873 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000273510228 130130727 /nfs/dbraw/zinc/13/07/27/130130727.db2.gz RNCUDIZURILRAP-GMBSWORKSA-N 1 0 315.413 2.836 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC000273550399 130135017 /nfs/dbraw/zinc/13/50/17/130135017.db2.gz FTJOQFHDFNGTDY-ZNMIVQPWSA-N 1 0 304.434 2.998 20 10 DFCDRO C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273618417 130145544 /nfs/dbraw/zinc/14/55/44/130145544.db2.gz YIEJRTOAEFRRFN-ZJUUUORDSA-N 1 0 302.212 2.824 20 10 DFCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000273623328 130146615 /nfs/dbraw/zinc/14/66/15/130146615.db2.gz ZUSRIOZULHUCQM-JSGCOSHPSA-N 1 0 300.406 2.575 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c(O)c1 ZINC000282954396 130948582 /nfs/dbraw/zinc/94/85/82/130948582.db2.gz CEQHMNAQVMZYNG-HDMKZQKVSA-N 1 0 319.445 2.919 20 10 DFCDRO CC(C)(C)[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000283993577 131039357 /nfs/dbraw/zinc/03/93/57/131039357.db2.gz MYZMCLZWEUMBJI-DOTOQJQBSA-N 1 0 307.434 2.780 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c(O)c1C ZINC000284368499 131074232 /nfs/dbraw/zinc/07/42/32/131074232.db2.gz ODIPSDXSQLJKFU-LZWOXQAQSA-N 1 0 309.450 2.818 20 10 DFCDRO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000284585285 131094154 /nfs/dbraw/zinc/09/41/54/131094154.db2.gz OHPJGGGFWDIOPX-OALUTQOASA-N 1 0 318.461 2.913 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H](c2nccn2C)C2CCOCC2)c1 ZINC000284652160 131100705 /nfs/dbraw/zinc/10/07/05/131100705.db2.gz GFFJFRXQGWGLFT-KRWDZBQOSA-N 1 0 315.417 2.692 20 10 DFCDRO C[C@@H]([NH2+][C@@H](c1nccn1C)C1CCOCC1)c1ccccc1O ZINC000284759789 131109153 /nfs/dbraw/zinc/10/91/53/131109153.db2.gz GQQYNDRWJUJFIR-CXAGYDPISA-N 1 0 315.417 2.944 20 10 DFCDRO Oc1cc2c(cc1CN1CCCC[C@H]1c1cc[nH]n1)OCO2 ZINC000284986981 131129281 /nfs/dbraw/zinc/12/92/81/131129281.db2.gz FCNLMZUPTHGFKH-ZDUSSCGKSA-N 1 0 301.346 2.571 20 10 DFCDRO Oc1cc2c(cc1CN1CCCC[C@@H]1c1cc[nH]n1)OCO2 ZINC000284986971 131129471 /nfs/dbraw/zinc/12/94/71/131129471.db2.gz FCNLMZUPTHGFKH-CYBMUJFWSA-N 1 0 301.346 2.571 20 10 DFCDRO C[C@H]([NH2+]Cc1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000285208406 131147321 /nfs/dbraw/zinc/14/73/21/131147321.db2.gz OJYRYCWCVRSCNW-LBPRGKRZSA-N 1 0 306.406 2.737 20 10 DFCDRO Oc1cc2c(cc1CN1CCC[C@H]1C[NH+]1CCCCC1)OCO2 ZINC000151961722 542672997 /nfs/dbraw/zinc/67/29/97/542672997.db2.gz FHSQBSZSKRKDAF-HNNXBMFYSA-N 1 0 318.417 2.571 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000289181638 131364018 /nfs/dbraw/zinc/36/40/18/131364018.db2.gz AOLCLSFIMWPEJL-CYBMUJFWSA-N 1 0 321.417 2.955 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCOc3cc(O)ccc3C2)c1O ZINC000289224575 131367076 /nfs/dbraw/zinc/36/70/76/131367076.db2.gz CRGDWLYNUKZWFQ-UHFFFAOYSA-N 1 0 315.369 2.891 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CCC(=O)NC)c1 ZINC000289243123 131368690 /nfs/dbraw/zinc/36/86/90/131368690.db2.gz DTJOFRFRBCLIFN-OAHLLOKOSA-N 1 0 320.433 2.672 20 10 DFCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000289361768 131379053 /nfs/dbraw/zinc/37/90/53/131379053.db2.gz KMLTVRBOCLVNBA-AWEZNQCLSA-N 1 0 310.369 2.632 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1O ZINC000297239589 132005111 /nfs/dbraw/zinc/00/51/11/132005111.db2.gz IKPXEONRRUCIER-UYHMYPTGSA-N 1 0 318.417 2.908 20 10 DFCDRO Oc1cc2c(cc1C[NH+]1CC(COc3ccccc3)C1)OCO2 ZINC000297319393 132009521 /nfs/dbraw/zinc/00/95/21/132009521.db2.gz CYAHTXWPGMVZEI-UHFFFAOYSA-N 1 0 313.353 2.632 20 10 DFCDRO C[C@@H]([NH2+]CCc1cnc2c(Cl)cnn2c1)c1ccccc1O ZINC000297370704 132012416 /nfs/dbraw/zinc/01/24/16/132012416.db2.gz QLGFCJMRTPKSAE-LLVKDONJSA-N 1 0 316.792 2.982 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297463869 132017555 /nfs/dbraw/zinc/01/75/55/132017555.db2.gz KGFMEKWRJHTTHC-UHFFFAOYSA-N 1 0 317.433 2.551 20 10 DFCDRO CCC[C@H](CCO)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000230934945 542893184 /nfs/dbraw/zinc/89/31/84/542893184.db2.gz QQYSRYBIXWOMMM-LLVKDONJSA-N 1 0 301.814 2.943 20 10 DFCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000269649551 542962753 /nfs/dbraw/zinc/96/27/53/542962753.db2.gz UWBGYKYAJAKZPP-GOSISDBHSA-N 1 0 315.461 2.776 20 10 DFCDRO C[NH+](C)CCN(C(=O)/C=C\c1cncs1)c1ccccc1 ZINC000493434395 299780154 /nfs/dbraw/zinc/78/01/54/299780154.db2.gz OQBRWSIVXATINI-HJWRWDBZSA-N 1 0 301.415 2.751 20 10 DFCDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000281565689 292629365 /nfs/dbraw/zinc/62/93/65/292629365.db2.gz KBIPIMHOACWULL-HOCLYGCPSA-N 1 0 324.440 2.864 20 10 DFCDRO CCCOc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(O)c1 ZINC000156009847 425932048 /nfs/dbraw/zinc/93/20/48/425932048.db2.gz KISLASHYKFFHMI-INIZCTEOSA-N 1 0 304.434 2.851 20 10 DFCDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1O ZINC000109770420 426032497 /nfs/dbraw/zinc/03/24/97/426032497.db2.gz CDTFYPQBDTWFBK-UHFFFAOYSA-N 1 0 302.330 2.811 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000074371272 426047625 /nfs/dbraw/zinc/04/76/25/426047625.db2.gz RFBLQIVHVSFNKX-AAEUAGOBSA-N 1 0 300.196 2.548 20 10 DFCDRO CC(C)C(=O)N1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000113320131 426111572 /nfs/dbraw/zinc/11/15/72/426111572.db2.gz GSENRPWPJGEGCF-UHFFFAOYSA-N 1 0 321.440 2.628 20 10 DFCDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000113327769 426113278 /nfs/dbraw/zinc/11/32/78/426113278.db2.gz OATSOSGVWUUNFQ-ZDUSSCGKSA-N 1 0 321.804 2.884 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c(O)c1 ZINC000128497849 426120375 /nfs/dbraw/zinc/12/03/75/426120375.db2.gz AXSZIPFJPGABPE-AWEZNQCLSA-N 1 0 315.417 2.904 20 10 DFCDRO CN(c1ccc(CNC(=O)C(C)(C)[NH3+])cc1)C1CCCCC1 ZINC000166469485 426126766 /nfs/dbraw/zinc/12/67/66/426126766.db2.gz UNUQBTHFQDPUPV-UHFFFAOYSA-N 1 0 303.450 2.809 20 10 DFCDRO CCOc1cccc(C[NH2+]Cc2ccc(OC)c(O)c2)c1O ZINC000171134662 426172686 /nfs/dbraw/zinc/17/26/86/426172686.db2.gz IEOBCNSTHMUTRD-UHFFFAOYSA-N 1 0 303.358 2.795 20 10 DFCDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc3c(cc1O)OCO3)C2 ZINC000174097270 426251482 /nfs/dbraw/zinc/25/14/82/426251482.db2.gz GJYGZQOUOXJWJQ-LSDHHAIUSA-N 1 0 318.417 2.568 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCN2CCC(O)CC2)cc1 ZINC000151358998 426291759 /nfs/dbraw/zinc/29/17/59/426291759.db2.gz YUNKPXJRGPRRAR-INIZCTEOSA-N 1 0 319.493 2.640 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000151386315 426292663 /nfs/dbraw/zinc/29/26/63/426292663.db2.gz USUPQVYFMPIJPX-WMLDXEAASA-N 1 0 323.458 2.935 20 10 DFCDRO c1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc2c1OCC2 ZINC000151385168 426292928 /nfs/dbraw/zinc/29/29/28/426292928.db2.gz RABURFXHRCHHPW-RDJZCZTQSA-N 1 0 305.443 2.766 20 10 DFCDRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000089629024 426299328 /nfs/dbraw/zinc/29/93/28/426299328.db2.gz KSESJBWVOYNXQG-ZDUSSCGKSA-N 1 0 312.479 2.617 20 10 DFCDRO CC[C@@H]([NH2+][C@@H](C)CCO)c1cc(Br)ccc1O ZINC000120628529 426314054 /nfs/dbraw/zinc/31/40/54/426314054.db2.gz JRRFQGDVYIFSSO-JOYOIKCWSA-N 1 0 302.212 2.966 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000152337795 426338251 /nfs/dbraw/zinc/33/82/51/426338251.db2.gz OUUPIBDDQHJOGM-DOTOQJQBSA-N 1 0 315.461 2.948 20 10 DFCDRO C[C@@H]([NH2+]Cc1cccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151081770 426275793 /nfs/dbraw/zinc/27/57/93/426275793.db2.gz WJUDQFATHQZGDJ-CQSZACIVSA-N 1 0 315.392 2.908 20 10 DFCDRO CCCC[N@H+](CC(N)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000091950259 426344310 /nfs/dbraw/zinc/34/43/10/426344310.db2.gz SZFJVOLWUNGGRS-UHFFFAOYSA-N 1 0 303.450 2.764 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(n3cccn3)CC2)cc1F ZINC000121926824 426355620 /nfs/dbraw/zinc/35/56/20/426355620.db2.gz FJIBQERNPMBJNW-UHFFFAOYSA-N 1 0 302.397 2.925 20 10 DFCDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093808502 426357299 /nfs/dbraw/zinc/35/72/99/426357299.db2.gz FDSIKOSTAGNREY-KRWDZBQOSA-N 1 0 315.461 2.764 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000093809280 426358522 /nfs/dbraw/zinc/35/85/22/426358522.db2.gz HIUXMXPYDPGGNO-MRXNPFEDSA-N 1 0 303.450 2.620 20 10 DFCDRO COc1cccc(CN2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)c1O ZINC000093636859 426358812 /nfs/dbraw/zinc/35/88/12/426358812.db2.gz HQRIWTTYISZUHH-JKSUJKDBSA-N 1 0 304.434 2.848 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000152883384 426359576 /nfs/dbraw/zinc/35/95/76/426359576.db2.gz FQCZBFDCGKZNRK-RDTXWAMCSA-N 1 0 304.434 2.821 20 10 DFCDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000153982451 426417841 /nfs/dbraw/zinc/41/78/41/426417841.db2.gz AFRKNYJYVZZDTH-AWEZNQCLSA-N 1 0 322.405 2.501 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)c(O)c1 ZINC000123246898 426423039 /nfs/dbraw/zinc/42/30/39/426423039.db2.gz SJIZOQZQXYQDKI-CQSZACIVSA-N 1 0 307.390 2.566 20 10 DFCDRO CCc1oc(C(=O)OC)cc1C[N@H+](C)Cc1ccccc1O ZINC000177153992 426448381 /nfs/dbraw/zinc/44/83/81/426448381.db2.gz JCGUWQPOIHAENI-UHFFFAOYSA-N 1 0 303.358 2.966 20 10 DFCDRO Cc1cccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000154937613 426459866 /nfs/dbraw/zinc/45/98/66/426459866.db2.gz LUSVTWOHRZOPGW-INIZCTEOSA-N 1 0 319.426 2.576 20 10 DFCDRO CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1O ZINC000155155136 426464017 /nfs/dbraw/zinc/46/40/17/426464017.db2.gz KGGNSKZACCHLQE-OAHLLOKOSA-N 1 0 309.373 2.609 20 10 DFCDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000155360892 426469865 /nfs/dbraw/zinc/46/98/65/426469865.db2.gz FGVRRNGNUYPGIA-HZPDHXFCSA-N 1 0 318.461 2.989 20 10 DFCDRO COc1cc(Cl)cc(CN(C)CC2([NH+](C)C)CCC2)c1O ZINC000097934127 426475352 /nfs/dbraw/zinc/47/53/52/426475352.db2.gz BWLGCLMPVFNRTH-UHFFFAOYSA-N 1 0 312.841 2.970 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000280192060 426517049 /nfs/dbraw/zinc/51/70/49/426517049.db2.gz HKUNLOQAHYNKHH-LPHOPBHVSA-N 1 0 318.461 2.913 20 10 DFCDRO Cc1cc(C(=O)N[C@H](C)CC[NH+](C)C)c(C)n1-c1ccccn1 ZINC000264357113 426541949 /nfs/dbraw/zinc/54/19/49/426541949.db2.gz ANTDKDJEINLAOP-CYBMUJFWSA-N 1 0 314.433 2.559 20 10 DFCDRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186539563 426546428 /nfs/dbraw/zinc/54/64/28/426546428.db2.gz KVDSPGMUHXYRGY-NMIRZEMHSA-N 1 0 320.252 2.572 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(C)cc1O ZINC000280075769 426502530 /nfs/dbraw/zinc/50/25/30/426502530.db2.gz LKJGTTLTCUJDAU-DOTOQJQBSA-N 1 0 306.450 2.710 20 10 DFCDRO CC[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(C)cc1O ZINC000280042307 426503010 /nfs/dbraw/zinc/50/30/10/426503010.db2.gz IYNWRYDCPYYQNZ-OAHLLOKOSA-N 1 0 313.463 2.956 20 10 DFCDRO CC(C)OCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186642162 426569115 /nfs/dbraw/zinc/56/91/15/426569115.db2.gz NZMXVLBABHHSCD-CQSZACIVSA-N 1 0 310.413 2.738 20 10 DFCDRO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186816956 426596443 /nfs/dbraw/zinc/59/64/43/426596443.db2.gz BBXQKQWABUVDDN-CQSZACIVSA-N 1 0 321.440 2.945 20 10 DFCDRO CCCOc1ccc(C[NH2+]CC2([S@](C)=O)CCC2)c(O)c1 ZINC000280592463 426608455 /nfs/dbraw/zinc/60/84/55/426608455.db2.gz IQVSVTBZTWBONJ-NRFANRHFSA-N 1 0 311.447 2.572 20 10 DFCDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(N(C)C)c(F)c1 ZINC000289247813 426612406 /nfs/dbraw/zinc/61/24/06/426612406.db2.gz DZXBULDWNWWTJV-IZOOLLGQSA-N 1 0 304.409 2.747 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)cc1OC ZINC000280377422 426562271 /nfs/dbraw/zinc/56/22/71/426562271.db2.gz FAZQSHKEZKXQSB-OCCSQVGLSA-N 1 0 309.406 2.535 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1O ZINC000228671285 426635022 /nfs/dbraw/zinc/63/50/22/426635022.db2.gz RAQIGRAVDJRHKH-KGLIPLIRSA-N 1 0 310.825 2.771 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCNC(=O)c2ccco2)cc1 ZINC000178489194 426639629 /nfs/dbraw/zinc/63/96/29/426639629.db2.gz VMVBOZVXFOEBPY-AWEZNQCLSA-N 1 0 315.417 2.816 20 10 DFCDRO CC[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000178493973 426640977 /nfs/dbraw/zinc/64/09/77/426640977.db2.gz SOBQNQACQXGJNC-PBHICJAKSA-N 1 0 303.450 2.804 20 10 DFCDRO COc1cccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000289717331 426673096 /nfs/dbraw/zinc/67/30/96/426673096.db2.gz FJJPYDWMXTZWIH-LPHOPBHVSA-N 1 0 313.397 2.657 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000227690091 426629070 /nfs/dbraw/zinc/62/90/70/426629070.db2.gz QGOZULFZNBIVFS-LBPRGKRZSA-N 1 0 324.421 2.794 20 10 DFCDRO COc1cccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)c1O ZINC000237207809 426690198 /nfs/dbraw/zinc/69/01/98/426690198.db2.gz HAWWPUHFZBLWIS-MRXNPFEDSA-N 1 0 300.402 2.793 20 10 DFCDRO CCOCc1nc([C@H](C)N[C@H](C)c2ccc(F)cc2O)no1 ZINC000290157453 426704862 /nfs/dbraw/zinc/70/48/62/426704862.db2.gz LSCOQYIAMACXNT-ZJUUUORDSA-N 1 0 309.341 2.863 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000290161390 426706553 /nfs/dbraw/zinc/70/65/53/426706553.db2.gz LXKQEWJLMLORBZ-KPZWWZAWSA-N 1 0 317.385 2.621 20 10 DFCDRO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000273989199 426715725 /nfs/dbraw/zinc/71/57/25/426715725.db2.gz WHXKJMGQGIPSCY-CQSZACIVSA-N 1 0 319.426 2.554 20 10 DFCDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000290299869 426736745 /nfs/dbraw/zinc/73/67/45/426736745.db2.gz YQVBVFSRCPAMMW-JLSDUUJJSA-N 1 0 304.434 2.741 20 10 DFCDRO COc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)c1O ZINC000281660814 426737796 /nfs/dbraw/zinc/73/77/96/426737796.db2.gz CIVOYQDMAPLBSI-CVEARBPZSA-N 1 0 317.360 2.848 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1OC ZINC000245589445 426755315 /nfs/dbraw/zinc/75/53/15/426755315.db2.gz OGVMEWUKLQQQFG-UKRRQHHQSA-N 1 0 307.390 2.553 20 10 DFCDRO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(OC)c1O ZINC000246124938 426800929 /nfs/dbraw/zinc/80/09/29/426800929.db2.gz ACRUJLXHPZRIHU-CFVMTHIKSA-N 1 0 319.401 2.707 20 10 DFCDRO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000179572421 426801696 /nfs/dbraw/zinc/80/16/96/426801696.db2.gz VOGSLQOAHVIYNM-OAHLLOKOSA-N 1 0 300.406 2.513 20 10 DFCDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2O)C1 ZINC000179562625 426803309 /nfs/dbraw/zinc/80/33/09/426803309.db2.gz GDCMTJXQQSKLAE-GDBMZVCRSA-N 1 0 304.434 2.909 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1OC ZINC000179780250 426817095 /nfs/dbraw/zinc/81/70/95/426817095.db2.gz SYYAIIJRNHWTBN-LBPRGKRZSA-N 1 0 317.389 2.512 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1O ZINC000179803213 426818606 /nfs/dbraw/zinc/81/86/06/426818606.db2.gz IVFNUHWBCYTFRG-INIZCTEOSA-N 1 0 324.852 2.651 20 10 DFCDRO CCN(CC)c1ccc(CN2CCCN(C(C)=O)CC2)cc1F ZINC000179812144 426818763 /nfs/dbraw/zinc/81/87/63/426818763.db2.gz HDNLKVWFJDBJDE-UHFFFAOYSA-N 1 0 321.440 2.726 20 10 DFCDRO OC[C@@]1(C[NH2+]Cc2cc(F)ccc2O)C[C@@H]1c1ccccc1 ZINC000291460523 426886783 /nfs/dbraw/zinc/88/67/83/426886783.db2.gz DCGQIAXUVPHICM-AEFFLSMTSA-N 1 0 301.361 2.787 20 10 DFCDRO Cn1cnnc1C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295321294 426907278 /nfs/dbraw/zinc/90/72/78/426907278.db2.gz LIEXQGUTIBSDSE-UHFFFAOYSA-N 1 0 324.787 2.693 20 10 DFCDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000282473237 426914159 /nfs/dbraw/zinc/91/41/59/426914159.db2.gz UVUVKQITTDHZIA-SCLBCKFNSA-N 1 0 310.397 2.673 20 10 DFCDRO COC(=O)c1cnc(SCC[NH+]2CCC(C)CC2)s1 ZINC000295410797 426946224 /nfs/dbraw/zinc/94/62/24/426946224.db2.gz XJRCZSGQWNVQDK-UHFFFAOYSA-N 1 0 300.449 2.754 20 10 DFCDRO Cc1cccc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)c1O ZINC000317236708 426955046 /nfs/dbraw/zinc/95/50/46/426955046.db2.gz DPXNAYKTIREELP-CYBMUJFWSA-N 1 0 300.406 2.869 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1O ZINC000283206411 426973893 /nfs/dbraw/zinc/97/38/93/426973893.db2.gz LTIIIOAABZBPRA-ZQIUZPCESA-N 1 0 305.418 2.611 20 10 DFCDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000282921905 426934324 /nfs/dbraw/zinc/93/43/24/426934324.db2.gz HIKDPJDJCCBVRX-MRXNPFEDSA-N 1 0 311.385 2.788 20 10 DFCDRO CCOc1cccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)c1O ZINC000248422016 426998535 /nfs/dbraw/zinc/99/85/35/426998535.db2.gz YJGCCFRVPUJBEG-CVEARBPZSA-N 1 0 304.434 2.850 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)CC2 ZINC000295812141 427018142 /nfs/dbraw/zinc/01/81/42/427018142.db2.gz CTTAABXSDRRKQV-YPMHNXCESA-N 1 0 314.351 2.853 20 10 DFCDRO Cc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c(O)c1O ZINC000182561517 427099979 /nfs/dbraw/zinc/09/99/79/427099979.db2.gz WRHXPHPVFBNTPQ-UHFFFAOYSA-N 1 0 318.417 2.543 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)[C@]12CCCO2 ZINC000296280754 427134297 /nfs/dbraw/zinc/13/42/97/427134297.db2.gz CPHZKOPAESJQKG-KMANFZQXSA-N 1 0 303.402 2.696 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000268834856 427134416 /nfs/dbraw/zinc/13/44/16/427134416.db2.gz NCCJTDDGAQQFBM-GOEBONIOSA-N 1 0 301.434 2.558 20 10 DFCDRO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268895684 427137922 /nfs/dbraw/zinc/13/79/22/427137922.db2.gz PBZHHJVOCVNZCE-GUYCJALGSA-N 1 0 324.440 2.720 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCN(CCOC)C1)c1ccc(N(C)C)cc1 ZINC000268941348 427139621 /nfs/dbraw/zinc/13/96/21/427139621.db2.gz STMCDHDRTLZLCZ-AEFFLSMTSA-N 1 0 305.466 2.514 20 10 DFCDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000269130517 427149786 /nfs/dbraw/zinc/14/97/86/427149786.db2.gz OGQJLLOGZWRJDP-INIZCTEOSA-N 1 0 311.429 2.836 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000252733869 427192811 /nfs/dbraw/zinc/19/28/11/427192811.db2.gz SVTULUAIWURACR-XJKSGUPXSA-N 1 0 301.390 2.680 20 10 DFCDRO CC[N@H+](Cc1cc(Br)cc(C)c1O)[C@H](C)CO ZINC000292813084 427201009 /nfs/dbraw/zinc/20/10/09/427201009.db2.gz PAOLZVNNRGMFBB-SNVBAGLBSA-N 1 0 302.212 2.666 20 10 DFCDRO CCCc1nc(C)c(C[NH2+]Cc2cc(OC)c(OC)cc2O)o1 ZINC000292849860 427201767 /nfs/dbraw/zinc/20/17/67/427201767.db2.gz TXQZSJJGNZPKTG-UHFFFAOYSA-N 1 0 320.389 2.948 20 10 DFCDRO Cc1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)ccc1N(C)C ZINC000292898948 427203381 /nfs/dbraw/zinc/20/33/81/427203381.db2.gz VVPOOIUAYJNVEP-CQSZACIVSA-N 1 0 302.340 2.560 20 10 DFCDRO COc1ccc(N2CC[NH+](CCC3(OC)CCC3)CC2)cc1F ZINC000292900543 427205145 /nfs/dbraw/zinc/20/51/45/427205145.db2.gz VXHXDEYHJVXSGN-UHFFFAOYSA-N 1 0 322.424 2.916 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296534097 427214645 /nfs/dbraw/zinc/21/46/45/427214645.db2.gz QQCVAQXVIAOQSU-DYVFJYSZSA-N 1 0 322.424 2.880 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1 ZINC000277519683 427230651 /nfs/dbraw/zinc/23/06/51/427230651.db2.gz SHGZXZGEJWHQOV-INIZCTEOSA-N 1 0 304.434 2.897 20 10 DFCDRO CO[C@H](C[NH2+]Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000293577917 427369624 /nfs/dbraw/zinc/36/96/24/427369624.db2.gz HMUPZTXIFIRMPP-CYBMUJFWSA-N 1 0 314.223 2.978 20 10 DFCDRO CCCN(Cc1cn(C(C)(C)C)nn1)c1ccc(C[NH3+])cc1 ZINC000278130907 427414055 /nfs/dbraw/zinc/41/40/55/427414055.db2.gz CCEOPTJQHSJKJH-UHFFFAOYSA-N 1 0 301.438 2.908 20 10 DFCDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000278784899 427452682 /nfs/dbraw/zinc/45/26/82/427452682.db2.gz ZPTSDQGBICXDJJ-AUUYWEPGSA-N 1 0 313.397 2.689 20 10 DFCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000271257156 427471620 /nfs/dbraw/zinc/47/16/20/427471620.db2.gz HHISTSQSTMCPJO-LBPRGKRZSA-N 1 0 300.196 2.766 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@@H](CCO)c2ccco2)c(O)c1 ZINC000184504070 427472970 /nfs/dbraw/zinc/47/29/70/427472970.db2.gz UYEPHIHLTKVXDA-HNNXBMFYSA-N 1 0 305.374 2.987 20 10 DFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@H]3CCSC3)cc2)CC1 ZINC000278290237 427428014 /nfs/dbraw/zinc/42/80/14/427428014.db2.gz BFNLBRZFRJFHAX-QGZVFWFLSA-N 1 0 320.502 2.738 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278416661 427436583 /nfs/dbraw/zinc/43/65/83/427436583.db2.gz QUJWXYRWFKMLFP-RISCZKNCSA-N 1 0 319.323 2.536 20 10 DFCDRO CCOc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1O ZINC000278496147 427442304 /nfs/dbraw/zinc/44/23/04/427442304.db2.gz MIYJWZPUUMINDY-UHFFFAOYSA-N 1 0 304.434 2.755 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000278538749 427443422 /nfs/dbraw/zinc/44/34/22/427443422.db2.gz SUEVITQHEKFKKC-CABCVRRESA-N 1 0 306.475 2.927 20 10 DFCDRO COc1c([O-])c(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278538221 427444038 /nfs/dbraw/zinc/44/40/38/427444038.db2.gz WRRGGODBQJSLAC-RYUDHWBXSA-N 1 0 324.377 2.604 20 10 DFCDRO CCN(CC)c1ccc(C[NH+]2CCC(O)(COC)CC2)cc1F ZINC000271199644 427447279 /nfs/dbraw/zinc/44/72/79/427447279.db2.gz SORUYKBMGPBCKD-UHFFFAOYSA-N 1 0 324.440 2.645 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2cncn2C)C1)c1cc(F)ccc1O ZINC000278938134 427507085 /nfs/dbraw/zinc/50/70/85/427507085.db2.gz JZAPTYOYSYIMST-PPHDSNJXSA-N 1 0 319.380 2.836 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c1 ZINC000279004371 427525653 /nfs/dbraw/zinc/52/56/53/427525653.db2.gz RYPIXGRFMZCPBL-QWHCGFSZSA-N 1 0 301.390 2.511 20 10 DFCDRO O=C(NCC[NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000263711843 427547554 /nfs/dbraw/zinc/54/75/54/427547554.db2.gz UMIOAJHMTWPSGW-UHFFFAOYSA-N 1 0 310.397 2.675 20 10 DFCDRO Cc1cc(Cl)cc(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c1O ZINC000271903976 427593785 /nfs/dbraw/zinc/59/37/85/427593785.db2.gz ZXRLOBMQAXPAED-ADWYPQAOSA-N 1 0 301.839 2.695 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@@H](C)[C@H]3CCCO3)cc2)CC1 ZINC000294972748 427670242 /nfs/dbraw/zinc/67/02/42/427670242.db2.gz LDKYDMZXHMDHJJ-HNAYVOBHSA-N 1 0 318.461 2.959 20 10 DFCDRO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185682581 427690897 /nfs/dbraw/zinc/69/08/97/427690897.db2.gz WZDHUFHMTJAVJO-FZMZJTMJSA-N 1 0 316.405 2.740 20 10 DFCDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000185788403 427706167 /nfs/dbraw/zinc/70/61/67/427706167.db2.gz NCEHINUDWWRWMQ-BBRMVZONSA-N 1 0 316.445 2.933 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000279615282 427712758 /nfs/dbraw/zinc/71/27/58/427712758.db2.gz GCPPEIVLPKDBEG-KSSFIOAISA-N 1 0 321.417 2.561 20 10 DFCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1c(O)ccc3ccccc31)CCO2 ZINC000279655800 427716044 /nfs/dbraw/zinc/71/60/44/427716044.db2.gz LGCPKLOFZXHBOM-AUUYWEPGSA-N 1 0 313.397 2.925 20 10 DFCDRO CN(C)c1ccc(C[NH2+]CCn2ccnc2)c(C(F)(F)F)c1 ZINC000279792129 427718046 /nfs/dbraw/zinc/71/80/46/427718046.db2.gz CWYVWMDWHXVUJQ-UHFFFAOYSA-N 1 0 312.339 2.758 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000279745234 427718684 /nfs/dbraw/zinc/71/86/84/427718684.db2.gz XKOACNGPBMVDPE-NSHDSACASA-N 1 0 302.340 2.586 20 10 DFCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186068609 427745340 /nfs/dbraw/zinc/74/53/40/427745340.db2.gz OCHLNEZEIFJKAU-LBPRGKRZSA-N 1 0 320.364 2.903 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCN(c2ccncn2)C1 ZINC000370765809 428294007 /nfs/dbraw/zinc/29/40/07/428294007.db2.gz GLWRZKMKPXDHCW-CQSZACIVSA-N 1 0 318.808 2.594 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccn(C)n3)C2)c(O)c1C ZINC000371877216 428406566 /nfs/dbraw/zinc/40/65/66/428406566.db2.gz UBKIBIQBQAVBKZ-CABCVRRESA-N 1 0 314.433 2.672 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCN2C)c1 ZINC000371383589 428385932 /nfs/dbraw/zinc/38/59/32/428385932.db2.gz ORLXGXUOHLJPPW-SJORKVTESA-N 1 0 304.434 2.850 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)c1ccccc1O ZINC000372801734 428503725 /nfs/dbraw/zinc/50/37/25/428503725.db2.gz MBNCMLVBJVGCMM-INMHGKMJSA-N 1 0 304.434 2.686 20 10 DFCDRO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000372972471 428508015 /nfs/dbraw/zinc/50/80/15/428508015.db2.gz HJQCIHVQGBBVGF-CYBMUJFWSA-N 1 0 317.414 2.699 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000373052998 428515292 /nfs/dbraw/zinc/51/52/92/428515292.db2.gz RNXMBXRZJUZLLE-LPHOPBHVSA-N 1 0 323.440 2.918 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1ccccc1O ZINC000373459536 428581194 /nfs/dbraw/zinc/58/11/94/428581194.db2.gz MBAZGJGBRMWEQX-GDBMZVCRSA-N 1 0 312.417 2.892 20 10 DFCDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000373611822 428620658 /nfs/dbraw/zinc/62/06/58/428620658.db2.gz PULDZVAIGSNRHR-QGZVFWFLSA-N 1 0 309.381 2.691 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000373633874 428624316 /nfs/dbraw/zinc/62/43/16/428624316.db2.gz COZATCGHTQTSCX-KBXCAEBGSA-N 1 0 321.417 2.561 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000373974903 428656242 /nfs/dbraw/zinc/65/62/42/428656242.db2.gz FZBJRWCAQCHWHK-DEYYWGMASA-N 1 0 321.417 2.559 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000374412918 428679360 /nfs/dbraw/zinc/67/93/60/428679360.db2.gz WGUKKCVFKJHYEM-QWHCGFSZSA-N 1 0 307.365 2.592 20 10 DFCDRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1Cc1ccccc1 ZINC000363086299 428854214 /nfs/dbraw/zinc/85/42/14/428854214.db2.gz TYJKLGQVALMKDH-SFHVURJKSA-N 1 0 322.408 2.512 20 10 DFCDRO C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1cc(F)ccc1O ZINC000363857517 429001176 /nfs/dbraw/zinc/00/11/76/429001176.db2.gz QDYIGTQMOGTJMV-LBPRGKRZSA-N 1 0 312.348 2.963 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000364762020 429262857 /nfs/dbraw/zinc/26/28/57/429262857.db2.gz XFPLCGRQLZINER-INIZCTEOSA-N 1 0 317.433 2.723 20 10 DFCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297674760 275520369 /nfs/dbraw/zinc/52/03/69/275520369.db2.gz LGVRCSAYCWHRST-ZIAGYGMSSA-N 1 0 318.417 2.979 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(C)cc1O ZINC000365581074 429346091 /nfs/dbraw/zinc/34/60/91/429346091.db2.gz LMDFLUSFVXBCHO-DOTOQJQBSA-N 1 0 304.434 2.605 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1O ZINC000367026638 429560900 /nfs/dbraw/zinc/56/09/00/429560900.db2.gz NDBNSGPTJWRWNN-CYBMUJFWSA-N 1 0 315.373 2.651 20 10 DFCDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cc(OC)ccc2O)CC1(C)C ZINC000367315964 429619271 /nfs/dbraw/zinc/61/92/71/429619271.db2.gz BMRUKHLRXMMLEO-FZMZJTMJSA-N 1 0 307.390 2.593 20 10 DFCDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000527804080 429802488 /nfs/dbraw/zinc/80/24/88/429802488.db2.gz BDZDJOPJPBZKKO-KRWDZBQOSA-N 1 0 308.381 2.538 20 10 DFCDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1O)C(=O)N1CCCC1 ZINC000527810302 429804092 /nfs/dbraw/zinc/80/40/92/429804092.db2.gz NPEFARHGPOJFGC-UHFFFAOYSA-N 1 0 310.825 2.784 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000368024781 429769744 /nfs/dbraw/zinc/76/97/44/429769744.db2.gz UUYUGMSWJJWERW-UKMLZYKCSA-N 1 0 302.418 2.962 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368041388 429773606 /nfs/dbraw/zinc/77/36/06/429773606.db2.gz KWJQDDFFUANORY-BBRMVZONSA-N 1 0 312.417 3.095 20 10 DFCDRO CCn1ncc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)n1 ZINC000527921925 429822126 /nfs/dbraw/zinc/82/21/26/429822126.db2.gz ABWNTRFOCSPWMB-LBPRGKRZSA-N 1 0 300.406 2.733 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)CC2 ZINC000527934553 429822873 /nfs/dbraw/zinc/82/28/73/429822873.db2.gz ROWZYZAORSPAPR-YPMHNXCESA-N 1 0 311.307 2.969 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c(O)c1C ZINC000368325009 429832106 /nfs/dbraw/zinc/83/21/06/429832106.db2.gz WPVCWTXXWAVNEF-XHSDSOJGSA-N 1 0 304.434 2.523 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1N1CCOCC1)c1ccccc1O ZINC000368408313 429844321 /nfs/dbraw/zinc/84/43/21/429844321.db2.gz WPGMKYFVPSZWHP-RYQLBKOJSA-N 1 0 318.461 2.934 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000368567582 429867521 /nfs/dbraw/zinc/86/75/21/429867521.db2.gz NFOLWQPZTANXDA-XHSDSOJGSA-N 1 0 303.402 2.913 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1C ZINC000369377396 429934013 /nfs/dbraw/zinc/93/40/13/429934013.db2.gz ALESPYWWIDANAK-MPGHIAIKSA-N 1 0 305.418 2.777 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000285668743 277105957 /nfs/dbraw/zinc/10/59/57/277105957.db2.gz UDEYMVRFNOABAR-BLLLJJGKSA-N 1 0 320.408 2.793 20 10 DFCDRO CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2CCc3cccc(O)c32)C1)C(N)=O ZINC000296558659 277305091 /nfs/dbraw/zinc/30/50/91/277305091.db2.gz SCACMESTGRIGPE-DZGCQCFKSA-N 1 0 316.445 2.993 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)cc1OC ZINC000289195797 277385917 /nfs/dbraw/zinc/38/59/17/277385917.db2.gz BCIVNODGXJXWHP-DZGCQCFKSA-N 1 0 323.433 2.925 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H]3CCOC3)CC2)cc1 ZINC000157363772 277908897 /nfs/dbraw/zinc/90/88/97/277908897.db2.gz XJTYWOTTZHVYMA-CABCVRRESA-N 1 0 304.434 2.679 20 10 DFCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000279734264 280064715 /nfs/dbraw/zinc/06/47/15/280064715.db2.gz JXMUTKDESBUZLT-IIDMSEBBSA-N 1 0 304.434 2.521 20 10 DFCDRO CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1[O-] ZINC000286027880 280186327 /nfs/dbraw/zinc/18/63/27/280186327.db2.gz KADZUBIOXFNTOX-NVXWUHKLSA-N 1 0 324.440 2.809 20 10 DFCDRO CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1[O-] ZINC000286027877 280186468 /nfs/dbraw/zinc/18/64/68/280186468.db2.gz KADZUBIOXFNTOX-DOTOQJQBSA-N 1 0 324.440 2.809 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000367667733 281025202 /nfs/dbraw/zinc/02/52/02/281025202.db2.gz CZRHCYOBGRXTOE-HLLBOEOZSA-N 1 0 304.434 2.638 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000363778722 332246164 /nfs/dbraw/zinc/24/61/64/332246164.db2.gz CAKWJYIGYZOOJP-ZYSHUDEJSA-N 1 0 317.477 2.657 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@@H](CO)C2CCCCC2)cc1OC ZINC000293707151 335112464 /nfs/dbraw/zinc/11/24/64/335112464.db2.gz SDVVHTYGDJQPCT-HNNXBMFYSA-N 1 0 323.433 2.688 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1O ZINC000293768133 335113143 /nfs/dbraw/zinc/11/31/43/335113143.db2.gz YHJSHOIAHGZHNM-SFHVURJKSA-N 1 0 324.424 2.634 20 10 DFCDRO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000178199487 333004589 /nfs/dbraw/zinc/00/45/89/333004589.db2.gz CAIQDYXUNRDRLL-OAHLLOKOSA-N 1 0 303.450 2.806 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000293959113 335116083 /nfs/dbraw/zinc/11/60/83/335116083.db2.gz JGECIFHKCPBXDX-QZTJIDSGSA-N 1 0 303.402 2.934 20 10 DFCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)cc1C ZINC000363945022 333206241 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CN(C)c1ccc(C[N@H+](C[C@H](O)c2cccnc2)C2CC2)cc1 ZINC000295433235 335134965 /nfs/dbraw/zinc/13/49/65/335134965.db2.gz FXWOUUDOFVWOGT-IBGZPJMESA-N 1 0 311.429 2.846 20 10 DFCDRO O=C1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1c1ccccc1 ZINC000295799699 335137886 /nfs/dbraw/zinc/13/78/86/335137886.db2.gz CAKRBEKQEIQPCK-GOEBONIOSA-N 1 0 308.381 2.775 20 10 DFCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000219903203 333398447 /nfs/dbraw/zinc/39/84/47/333398447.db2.gz GXPPUODRLBCHTK-BXKDBHETSA-N 1 0 300.196 2.812 20 10 DFCDRO O=C1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1c1ccccc1 ZINC000295799704 335138218 /nfs/dbraw/zinc/13/82/18/335138218.db2.gz CAKRBEKQEIQPCK-HOCLYGCPSA-N 1 0 308.381 2.775 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)CC2 ZINC000296177036 335141979 /nfs/dbraw/zinc/14/19/79/335141979.db2.gz XXFSHTXFODMZMX-GDBMZVCRSA-N 1 0 317.360 2.548 20 10 DFCDRO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000123881468 333475909 /nfs/dbraw/zinc/47/59/09/333475909.db2.gz 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CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)cc1 ZINC000156751268 520287631 /nfs/dbraw/zinc/28/76/31/520287631.db2.gz PNXBLWHBPLFSOG-JKSUJKDBSA-N 1 0 305.466 2.514 20 10 DFCDRO CC1([NH2+]Cc2cc(Br)ccc2O)CCOCC1 ZINC000131115230 520765613 /nfs/dbraw/zinc/76/56/13/520765613.db2.gz RVHOVBRTMLGCPX-UHFFFAOYSA-N 1 0 300.196 2.813 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)/C=C/C[NH+](C)C)cc2)CC1 ZINC000265706525 521040066 /nfs/dbraw/zinc/04/00/66/521040066.db2.gz SSTQFEDQMFQZQH-SNAWJCMRSA-N 1 0 315.461 2.657 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1O ZINC000128432409 521343206 /nfs/dbraw/zinc/34/32/06/521343206.db2.gz OWXKODYSANAMPC-CYBMUJFWSA-N 1 0 301.390 2.514 20 10 DFCDRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000191561268 521589571 /nfs/dbraw/zinc/58/95/71/521589571.db2.gz GCUGRZCOVNDZMC-NSHDSACASA-N 1 0 320.414 2.919 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1F ZINC000265244948 522211389 /nfs/dbraw/zinc/21/13/89/522211389.db2.gz MMZPLODUXCVSNR-INIZCTEOSA-N 1 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C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1 ZINC000155292858 525526815 /nfs/dbraw/zinc/52/68/15/525526815.db2.gz UIYZLNUVVHCJDF-YQQAZPJKSA-N 1 0 304.434 2.599 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000177876222 525604640 /nfs/dbraw/zinc/60/46/40/525604640.db2.gz WEGBWPIMMCWHHM-YJBOKZPZSA-N 1 0 315.461 2.996 20 10 DFCDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152865782 525655056 /nfs/dbraw/zinc/65/50/56/525655056.db2.gz CUZLVJNUKBUJGC-LBTNJELSSA-N 1 0 322.424 2.880 20 10 DFCDRO COc1cccc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c1O ZINC000266149742 526023228 /nfs/dbraw/zinc/02/32/28/526023228.db2.gz KBXJMHLXGBQXRM-KRWDZBQOSA-N 1 0 305.374 2.608 20 10 DFCDRO O=C(NCc1ccccc1O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000267372384 526755074 /nfs/dbraw/zinc/75/50/74/526755074.db2.gz RYYKKKBYEGDWHD-OAHLLOKOSA-N 1 0 302.418 2.663 20 10 DFCDRO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)no1 ZINC000179999586 526924051 /nfs/dbraw/zinc/92/40/51/526924051.db2.gz LVKNOUYNYDOEMF-CQSZACIVSA-N 1 0 301.390 2.847 20 10 DFCDRO O=C1NC[C@]2(CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)O1 ZINC000364890794 527080145 /nfs/dbraw/zinc/08/01/45/527080145.db2.gz LGEJLHCMHGWTJX-SFHVURJKSA-N 1 0 312.369 2.620 20 10 DFCDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273401920 534958794 /nfs/dbraw/zinc/95/87/94/534958794.db2.gz NLKGUJVDIVKWNG-CHWSQXEVSA-N 1 0 307.394 2.683 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(=O)[nH]n2)cc1F ZINC000286290448 535685930 /nfs/dbraw/zinc/68/59/30/535685930.db2.gz WFKAXLAPUFSFRH-GFCCVEGCSA-N 1 0 318.396 2.606 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](OCC)[C@]23CCCO3)c1 ZINC000273570087 535752980 /nfs/dbraw/zinc/75/29/80/535752980.db2.gz GHYYKHJKEVMPSR-KURKYZTESA-N 1 0 321.417 2.607 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(N(C)C)cc1 ZINC000283137534 535808169 /nfs/dbraw/zinc/80/81/69/535808169.db2.gz HALLEYJIJSTJHS-IAGOWNOFSA-N 1 0 315.461 2.995 20 10 DFCDRO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000284734595 536623640 /nfs/dbraw/zinc/62/36/40/536623640.db2.gz UCIPOCYKFCSLKU-GUDVDZBRSA-N 1 0 318.461 2.769 20 10 DFCDRO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000284733065 536623854 /nfs/dbraw/zinc/62/38/54/536623854.db2.gz UAEZQKGGGXQONO-BFYDXBDKSA-N 1 0 309.381 2.547 20 10 DFCDRO CC[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1O ZINC000825146203 608522398 /nfs/dbraw/zinc/52/23/98/608522398.db2.gz AOANWZXCESDRPB-HNNXBMFYSA-N 1 0 309.373 2.813 20 10 DFCDRO CC[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1O ZINC000825146205 608522590 /nfs/dbraw/zinc/52/25/90/608522590.db2.gz AOANWZXCESDRPB-OAHLLOKOSA-N 1 0 309.373 2.813 20 10 DFCDRO CC1CC[NH+](CCCNC(=O)N(C)Cc2ccccc2O)CC1 ZINC000078948078 185133581 /nfs/dbraw/zinc/13/35/81/185133581.db2.gz ZHOHDAGURRWXIG-UHFFFAOYSA-N 1 0 319.449 2.656 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000090182349 185285887 /nfs/dbraw/zinc/28/58/87/185285887.db2.gz RFAANFINLVMGTN-UKRRQHHQSA-N 1 0 301.434 2.557 20 10 DFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092707397 185335326 /nfs/dbraw/zinc/33/53/26/185335326.db2.gz OLMTUPAKQDQHIW-QGZVFWFLSA-N 1 0 317.477 2.881 20 10 DFCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CCOC3)CC2)cc1 ZINC000088698672 398440150 /nfs/dbraw/zinc/44/01/50/398440150.db2.gz WABZOZMIZNNZKM-ZDUSSCGKSA-N 1 0 312.360 2.635 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1C ZINC000091588975 398535415 /nfs/dbraw/zinc/53/54/15/398535415.db2.gz FBYURLNVXHMSJK-UHFFFAOYSA-N 1 0 315.392 2.865 20 10 DFCDRO CNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000043593224 398626256 /nfs/dbraw/zinc/62/62/56/398626256.db2.gz LKUASECHZGESSU-GOSISDBHSA-N 1 0 324.424 2.682 20 10 DFCDRO COc1cccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1O ZINC000093387931 398635514 /nfs/dbraw/zinc/63/55/14/398635514.db2.gz VTBLODPGSJQEQA-KRWDZBQOSA-N 1 0 313.397 2.883 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1O ZINC000093585491 398640833 /nfs/dbraw/zinc/64/08/33/398640833.db2.gz FAPOKCGOEDLCPO-CRAIPNDOSA-N 1 0 305.418 2.918 20 10 DFCDRO c1ncn(Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)n1 ZINC000054173702 398892504 /nfs/dbraw/zinc/89/25/04/398892504.db2.gz BABRGCDTHUQNPX-UHFFFAOYSA-N 1 0 320.396 2.551 20 10 DFCDRO Cc1noc(C)c1CN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000091891136 193123379 /nfs/dbraw/zinc/12/33/79/193123379.db2.gz LJTIVNCIWFSOPR-UHFFFAOYSA-N 1 0 315.417 2.623 20 10 DFCDRO C[N@H+](Cc1ccccc1O)Cc1ccccc1N1CCOCC1 ZINC000091974595 193135146 /nfs/dbraw/zinc/13/51/46/193135146.db2.gz OVIHTINEQGXPDV-UHFFFAOYSA-N 1 0 312.413 2.861 20 10 DFCDRO COc1cccc([C@@H](C[NH2+]Cc2ccccc2O)N(C)C)c1 ZINC000020543002 182228941 /nfs/dbraw/zinc/22/89/41/182228941.db2.gz XUWMHNYVYIRVMU-QGZVFWFLSA-N 1 0 300.402 2.793 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(N3CCCC3=O)CC2)cc1C ZINC000104656548 194022727 /nfs/dbraw/zinc/02/27/27/194022727.db2.gz KTUCQSFAFNUWKK-UHFFFAOYSA-N 1 0 302.418 2.596 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@H](C)[C@H]3CCOC3)cc2)CC1 ZINC000295856485 284774999 /nfs/dbraw/zinc/77/49/99/284774999.db2.gz XWUKWNXRLRAYNE-WBVHZDCISA-N 1 0 318.461 2.816 20 10 DFCDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000281453665 285134367 /nfs/dbraw/zinc/13/43/67/285134367.db2.gz DMAQYOZSSBHQAJ-RDJZCZTQSA-N 1 0 306.450 2.725 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(Cl)ccc1O ZINC000297488616 533540661 /nfs/dbraw/zinc/54/06/61/533540661.db2.gz ZVAVYMFMOLMANP-OCCSQVGLSA-N 1 0 312.841 2.543 20 10 DFCDRO COCCN1CC[C@H]([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000273361014 130110481 /nfs/dbraw/zinc/11/04/81/130110481.db2.gz AGZILJKSPPTKIP-PBHICJAKSA-N 1 0 318.461 2.642 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000273398305 130117617 /nfs/dbraw/zinc/11/76/17/130117617.db2.gz MKIDAIKDHGSKAE-ZJUUUORDSA-N 1 0 300.196 2.842 20 10 DFCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(OC)c1O ZINC000273438727 130121656 /nfs/dbraw/zinc/12/16/56/130121656.db2.gz MLFFAXBDCIFMNM-CXAGYDPISA-N 1 0 307.390 2.612 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ncccc2F)c1 ZINC000273470886 130124923 /nfs/dbraw/zinc/12/49/23/130124923.db2.gz JTFLVYVIXOKFCV-LLVKDONJSA-N 1 0 306.337 2.665 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N2CCOCC2)c(O)c1C ZINC000273586877 130139691 /nfs/dbraw/zinc/13/96/91/130139691.db2.gz NZOFFAMTEKOYJY-JYJNAYRXSA-N 1 0 306.450 2.769 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(F)ccc1O ZINC000273602518 130143017 /nfs/dbraw/zinc/14/30/17/130143017.db2.gz SECXBYMEDCUNNA-OBJOEFQTSA-N 1 0 308.397 2.829 20 10 DFCDRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccccc1O ZINC000274681732 130253460 /nfs/dbraw/zinc/25/34/60/130253460.db2.gz RMCCLBYDNQIJKD-ZDUSSCGKSA-N 1 0 324.380 2.557 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@H](OCC)[C@@H]2OC)ccc1OC ZINC000274897469 130271955 /nfs/dbraw/zinc/27/19/55/130271955.db2.gz GBHGSDFHMIKJRI-BPQIPLTHSA-N 1 0 323.433 2.514 20 10 DFCDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000275550718 130334615 /nfs/dbraw/zinc/33/46/15/130334615.db2.gz NJNZHXAHVMAHPA-IRXDYDNUSA-N 1 0 314.433 2.589 20 10 DFCDRO COc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1C ZINC000282618447 130932686 /nfs/dbraw/zinc/93/26/86/130932686.db2.gz FHTDUJVBXQPTCW-AEFFLSMTSA-N 1 0 319.445 2.661 20 10 DFCDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000284174646 131055666 /nfs/dbraw/zinc/05/56/66/131055666.db2.gz FOIFYNUYVUKAJU-NVBFEUDRSA-N 1 0 315.841 2.854 20 10 DFCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCOCC3)CC1)OCO2 ZINC000284454750 131082545 /nfs/dbraw/zinc/08/25/45/131082545.db2.gz QFLYQOSEZGUQPO-UHFFFAOYSA-N 1 0 305.374 2.514 20 10 DFCDRO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000284734589 131107136 /nfs/dbraw/zinc/10/71/36/131107136.db2.gz UCIPOCYKFCSLKU-CEXWTWQISA-N 1 0 318.461 2.769 20 10 DFCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000285048673 131133856 /nfs/dbraw/zinc/13/38/56/131133856.db2.gz ILHCHGVTCLUFMO-UONOGXRCSA-N 1 0 306.406 2.890 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c(O)c1 ZINC000285098976 131137643 /nfs/dbraw/zinc/13/76/43/131137643.db2.gz KFHSVDWGNHNAOH-AWEZNQCLSA-N 1 0 300.402 2.867 20 10 DFCDRO CCOCc1cc(C[NH2+]C[C@H]2CCOC[C@H]2C)ccc1OC ZINC000285422313 131166152 /nfs/dbraw/zinc/16/61/52/131166152.db2.gz GVSNQEIIQBFSOQ-GDBMZVCRSA-N 1 0 307.434 2.994 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1 ZINC000285565551 131181270 /nfs/dbraw/zinc/18/12/70/131181270.db2.gz SXIOCIGDYKWFDM-NVXWUHKLSA-N 1 0 303.450 2.536 20 10 DFCDRO C[C@H](C[NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000285768847 131200545 /nfs/dbraw/zinc/20/05/45/131200545.db2.gz LPKLWHDMTRMQQZ-CQSZACIVSA-N 1 0 303.450 2.667 20 10 DFCDRO C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](c1ccccc1)[NH+](C)C ZINC000287975000 131309252 /nfs/dbraw/zinc/30/92/52/131309252.db2.gz TYAYVADLIPFBHG-WBMJQRKESA-N 1 0 314.385 2.519 20 10 DFCDRO C[C@H](O)c1ncc(C[NH2+]Cc2ccc3c(c2)CCCN3C)s1 ZINC000289229738 131367587 /nfs/dbraw/zinc/36/75/87/131367587.db2.gz KBTZWGYULFLGLN-LBPRGKRZSA-N 1 0 317.458 2.869 20 10 DFCDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(N(C)C)c(F)c4)[C@H]1[C@H]3C2 ZINC000289247822 131368563 /nfs/dbraw/zinc/36/85/63/131368563.db2.gz DZXBULDWNWWTJV-TZUPDSNESA-N 1 0 304.409 2.747 20 10 DFCDRO COc1ccc(C[NH2+]Cc2c(O)cccc2Cl)c(OC)n1 ZINC000289472964 131388943 /nfs/dbraw/zinc/38/89/43/131388943.db2.gz DPVYWAOWGCXUSZ-UHFFFAOYSA-N 1 0 308.765 2.748 20 10 DFCDRO COCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000289507378 131391284 /nfs/dbraw/zinc/39/12/84/131391284.db2.gz HUTSDTCELFCYLL-UHFFFAOYSA-N 1 0 307.390 2.807 20 10 DFCDRO COc1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)c(OC)n1 ZINC000289563368 131396355 /nfs/dbraw/zinc/39/63/55/131396355.db2.gz LFRDKMHMTIAAEP-UHFFFAOYSA-N 1 0 302.374 2.711 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)n1-c1ccccc1 ZINC000292838003 131681289 /nfs/dbraw/zinc/68/12/89/131681289.db2.gz CAAACOQCQGACQS-LPHOPBHVSA-N 1 0 323.440 2.918 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)NCc1ccccc1 ZINC000297803639 132034995 /nfs/dbraw/zinc/03/49/95/132034995.db2.gz QLJOZKLQRICFIE-CZUORRHYSA-N 1 0 310.397 2.674 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000273412819 292014166 /nfs/dbraw/zinc/01/41/66/292014166.db2.gz QDKFEJUBVBGEAW-AWEZNQCLSA-N 1 0 320.433 2.705 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000273613281 292014380 /nfs/dbraw/zinc/01/43/80/292014380.db2.gz WRASXZGMLBQQIV-QEJZJMRPSA-N 1 0 320.433 2.702 20 10 DFCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279606732 542985162 /nfs/dbraw/zinc/98/51/62/542985162.db2.gz WYHJVANJJOMSCY-GOSISDBHSA-N 1 0 313.445 2.530 20 10 DFCDRO Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000280448168 542988735 /nfs/dbraw/zinc/98/87/35/542988735.db2.gz CNLQGUCKEITRNB-LJQANCHMSA-N 1 0 323.440 2.911 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)cc1 ZINC000155546906 425920721 /nfs/dbraw/zinc/92/07/21/425920721.db2.gz UBINNGPPOIZFGN-GOSISDBHSA-N 1 0 317.477 2.881 20 10 DFCDRO Cc1cc(Br)cc(CN2CCOC[C@@H]2C)c1O ZINC000124547596 425925414 /nfs/dbraw/zinc/92/54/14/425925414.db2.gz MEJPAYVUEIIDCG-JTQLQIEISA-N 1 0 300.196 2.684 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000156380793 425933041 /nfs/dbraw/zinc/93/30/41/425933041.db2.gz FNCBRTLKZHASCY-QAPCUYQASA-N 1 0 304.434 2.743 20 10 DFCDRO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1O ZINC000109773028 426033302 /nfs/dbraw/zinc/03/33/02/426033302.db2.gz BDOIHTYKSRHXCO-ZDUSSCGKSA-N 1 0 316.376 2.668 20 10 DFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128452531 426118365 /nfs/dbraw/zinc/11/83/65/426118365.db2.gz FINRUQRHVWYHJL-LBPRGKRZSA-N 1 0 306.797 2.549 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@](C)(O)c2ccccc2)c1O ZINC000114508112 426138591 /nfs/dbraw/zinc/13/85/91/426138591.db2.gz DZHVNMVEMMJVBW-SFHVURJKSA-N 1 0 301.386 2.788 20 10 DFCDRO CN(c1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1)C1CCCCC1 ZINC000166471884 426127501 /nfs/dbraw/zinc/12/75/01/426127501.db2.gz VWQALXBVUGICSF-GOSISDBHSA-N 1 0 315.461 2.824 20 10 DFCDRO Cc1cc(C(=O)NC2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000078472938 426171042 /nfs/dbraw/zinc/17/10/42/426171042.db2.gz WBRXDDBOORJRIU-UHFFFAOYSA-N 1 0 311.429 2.918 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116567407 426192757 /nfs/dbraw/zinc/19/27/57/426192757.db2.gz MJLUODIRVQNQQG-INIZCTEOSA-N 1 0 321.465 2.900 20 10 DFCDRO COc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1O ZINC000120063062 426306153 /nfs/dbraw/zinc/30/61/53/426306153.db2.gz LNTQGMMONMPKQM-UHFFFAOYSA-N 1 0 301.342 2.762 20 10 DFCDRO Cc1ncc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)s1 ZINC000120453952 426310941 /nfs/dbraw/zinc/31/09/41/426310941.db2.gz GQAAXSVLKOROKV-UHFFFAOYSA-N 1 0 317.458 2.783 20 10 DFCDRO CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000122917804 426403124 /nfs/dbraw/zinc/40/31/24/426403124.db2.gz WIIJNVLHPBKPTJ-HNNXBMFYSA-N 1 0 315.417 2.997 20 10 DFCDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000122929203 426404523 /nfs/dbraw/zinc/40/45/23/426404523.db2.gz AGRHSCPALVIEAX-VKJFTORMSA-N 1 0 301.478 2.887 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000092662326 426351316 /nfs/dbraw/zinc/35/13/16/426351316.db2.gz RAQJSIXWPKDJCG-QGZVFWFLSA-N 1 0 305.418 2.861 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c(O)c1 ZINC000093813903 426357630 /nfs/dbraw/zinc/35/76/30/426357630.db2.gz XUSKZFUTNNZYNC-QGZVFWFLSA-N 1 0 307.390 2.566 20 10 DFCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152865473 426358323 /nfs/dbraw/zinc/35/83/23/426358323.db2.gz CUZLVJNUKBUJGC-DEYYWGMASA-N 1 0 322.424 2.880 20 10 DFCDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1O ZINC000154017483 426420492 /nfs/dbraw/zinc/42/04/92/426420492.db2.gz RIUBBCGYKWNCQL-CYBMUJFWSA-N 1 0 314.385 2.941 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123283938 426424742 /nfs/dbraw/zinc/42/47/42/426424742.db2.gz PIZLTAKWCDHBIN-CVEARBPZSA-N 1 0 305.466 2.514 20 10 DFCDRO C[S@](=O)C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000154724473 426453442 /nfs/dbraw/zinc/45/34/42/426453442.db2.gz VRYKYYWXPDYIPQ-HTAPYJJXSA-N 1 0 315.438 2.831 20 10 DFCDRO COc1cccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000154705609 426452323 /nfs/dbraw/zinc/45/23/23/426452323.db2.gz AUHRJELPZSDSEQ-NYHFZMIOSA-N 1 0 319.426 2.610 20 10 DFCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186356138 426512947 /nfs/dbraw/zinc/51/29/47/426512947.db2.gz YXFLGFYTDVXIBY-ZBFHGGJFSA-N 1 0 322.449 2.529 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000280187765 426517296 /nfs/dbraw/zinc/51/72/96/426517296.db2.gz CYNHWZMUDKXISB-GFCCVEGCSA-N 1 0 316.367 2.976 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)C12CCOCC2 ZINC000186455989 426530642 /nfs/dbraw/zinc/53/06/42/426530642.db2.gz NEVXNQJZOWDNPL-HZPDHXFCSA-N 1 0 309.381 2.595 20 10 DFCDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000219069447 426570044 /nfs/dbraw/zinc/57/00/44/426570044.db2.gz OCVJJOWECVLJIR-RHSMWYFYSA-N 1 0 308.491 2.879 20 10 DFCDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000226251529 426618122 /nfs/dbraw/zinc/61/81/22/426618122.db2.gz IKINCCPITTYAOU-CYBMUJFWSA-N 1 0 302.212 2.795 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccccc2)c1O ZINC000228669448 426634976 /nfs/dbraw/zinc/63/49/76/426634976.db2.gz KJSUQMKZIJAJNE-AWEZNQCLSA-N 1 0 307.777 2.877 20 10 DFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CCO)c1O ZINC000187227253 426640184 /nfs/dbraw/zinc/64/01/84/426640184.db2.gz MBFGIFMBRAXOKH-ZJUUUORDSA-N 1 0 302.212 2.885 20 10 DFCDRO CC[C@H](C[NH2+]Cc1cc(F)ccc1O)NC(=O)OC(C)(C)C ZINC000234019164 426656470 /nfs/dbraw/zinc/65/64/70/426656470.db2.gz BCURYCZLPBXDLY-CYBMUJFWSA-N 1 0 312.385 2.924 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](C)CC2(O)CCOCC2)cc1 ZINC000178671887 426672535 /nfs/dbraw/zinc/67/25/35/426672535.db2.gz DMYHEPPJHZEZDN-UHFFFAOYSA-N 1 0 306.450 2.506 20 10 DFCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000289969691 426677770 /nfs/dbraw/zinc/67/77/70/426677770.db2.gz ZIRNOTWUHACPAG-INIZCTEOSA-N 1 0 304.434 2.890 20 10 DFCDRO CCOc1cccc(CN2C[C@H](C)[S@](=O)[C@@H](CC)C2)c1O ZINC000289985438 426679450 /nfs/dbraw/zinc/67/94/50/426679450.db2.gz ZYFRRDXHHUVYPH-VUCVNMQBSA-N 1 0 311.447 2.522 20 10 DFCDRO COc1cccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1O ZINC000187659038 426682673 /nfs/dbraw/zinc/68/26/73/426682673.db2.gz WPLSIAGVHFAGNK-UHFFFAOYSA-N 1 0 317.307 2.744 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000227438764 426625518 /nfs/dbraw/zinc/62/55/18/426625518.db2.gz SUQQNGIBZCQVNZ-JTQLQIEISA-N 1 0 300.196 2.671 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1OC ZINC000281259261 426708840 /nfs/dbraw/zinc/70/88/40/426708840.db2.gz XWFKMWBWHYSBTR-SNVBAGLBSA-N 1 0 301.333 2.934 20 10 DFCDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000281302170 426709847 /nfs/dbraw/zinc/70/98/47/426709847.db2.gz YRLFDZSIOFOSIK-DGCLKSJQSA-N 1 0 310.825 2.955 20 10 DFCDRO Cc1cccc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000245849659 426776877 /nfs/dbraw/zinc/77/68/77/426776877.db2.gz MDGYXWIPFAVWBB-XYJFISCASA-N 1 0 318.461 2.774 20 10 DFCDRO Cn1c(-c2ccccc2)cnc1SC[C@@H](O)C[N@H+](C)C1CC1 ZINC000290501197 426779396 /nfs/dbraw/zinc/77/93/96/426779396.db2.gz ASNGVZVTKNBZAT-HNNXBMFYSA-N 1 0 317.458 2.634 20 10 DFCDRO [O-]c1c(F)cccc1C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281890939 426785755 /nfs/dbraw/zinc/78/57/55/426785755.db2.gz YDBPLRWQUKSUHU-ZBFHGGJFSA-N 1 0 305.324 2.978 20 10 DFCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000188474370 426756038 /nfs/dbraw/zinc/75/60/38/426756038.db2.gz QTNSEBOEHQKJKU-HNNXBMFYSA-N 1 0 303.450 2.633 20 10 DFCDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2O)C1 ZINC000179562601 426801409 /nfs/dbraw/zinc/80/14/09/426801409.db2.gz GDCMTJXQQSKLAE-GOEBONIOSA-N 1 0 304.434 2.909 20 10 DFCDRO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000179575971 426803659 /nfs/dbraw/zinc/80/36/59/426803659.db2.gz PFBSOOLDWMEWGO-LBPRGKRZSA-N 1 0 320.216 2.672 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c1 ZINC000290799899 426840547 /nfs/dbraw/zinc/84/05/47/426840547.db2.gz FFCVLFXEJRYZCK-HNNXBMFYSA-N 1 0 301.390 2.743 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@]2(CO)CCCc3ccccc32)c1 ZINC000282466006 426915612 /nfs/dbraw/zinc/91/56/12/426915612.db2.gz VYACLCLKLPHNIR-IBGZPJMESA-N 1 0 313.397 2.715 20 10 DFCDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(=O)NCCF ZINC000282650470 426922822 /nfs/dbraw/zinc/92/28/22/426922822.db2.gz LBFWLNWOSKABCZ-CYBMUJFWSA-N 1 0 316.376 2.623 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1O ZINC000291191062 426879317 /nfs/dbraw/zinc/87/93/17/426879317.db2.gz GOPQDFVLWSBUGG-SNVBAGLBSA-N 1 0 321.751 2.504 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+](C)[C@H]3C[C@@H](OC)C3)cc2)CC1 ZINC000295320397 426905944 /nfs/dbraw/zinc/90/59/44/426905944.db2.gz OCPWIJYKIQABMY-IZAXUBKRSA-N 1 0 318.461 2.911 20 10 DFCDRO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000282432643 426911199 /nfs/dbraw/zinc/91/11/99/426911199.db2.gz RJNSIGQXLGUMOO-GUYCJALGSA-N 1 0 310.397 2.816 20 10 DFCDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000295387103 426937769 /nfs/dbraw/zinc/93/77/69/426937769.db2.gz PPAPBQFVMWOLHN-LLVKDONJSA-N 1 0 310.760 2.613 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1O ZINC000295851700 427019223 /nfs/dbraw/zinc/01/92/23/427019223.db2.gz DKLXRVFAWBWRBT-XYPHTWIQSA-N 1 0 319.376 2.781 20 10 DFCDRO CCn1cc([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cn1 ZINC000296103864 427074622 /nfs/dbraw/zinc/07/46/22/427074622.db2.gz QDVKIWSTZAKPJF-SNVBAGLBSA-N 1 0 305.353 2.801 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000276767384 427117961 /nfs/dbraw/zinc/11/79/61/427117961.db2.gz HTWAPFUHYWIAFB-GOSISDBHSA-N 1 0 315.461 2.730 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000268834860 427135579 /nfs/dbraw/zinc/13/55/79/427135579.db2.gz NCCJTDDGAQQFBM-ZBFHGGJFSA-N 1 0 301.434 2.558 20 10 DFCDRO CO[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1OC ZINC000277108261 427136063 /nfs/dbraw/zinc/13/60/63/427136063.db2.gz HSVGXXUHAUALMS-HDICACEKSA-N 1 0 304.434 2.523 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000268870601 427136873 /nfs/dbraw/zinc/13/68/73/427136873.db2.gz INDDGNBZNADYOT-XCRHUMRWSA-N 1 0 322.424 2.616 20 10 DFCDRO CC[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(N(C)C)cc1 ZINC000268915360 427137167 /nfs/dbraw/zinc/13/71/67/427137167.db2.gz NRTTYEBUHHGZCC-INIZCTEOSA-N 1 0 303.450 2.839 20 10 DFCDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C[C@H](C)O ZINC000268943522 427139472 /nfs/dbraw/zinc/13/94/72/427139472.db2.gz ATLPOWGMPZHVGB-QLFBSQMISA-N 1 0 324.440 2.720 20 10 DFCDRO CC[C@H](COC)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268881150 427139932 /nfs/dbraw/zinc/13/99/32/427139932.db2.gz RMXHMRXPGJLDBX-IJEWVQPXSA-N 1 0 324.440 2.954 20 10 DFCDRO CCOCC[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000277369181 427180876 /nfs/dbraw/zinc/18/08/76/427180876.db2.gz AERBNOCBVANHSN-GOSISDBHSA-N 1 0 308.466 2.751 20 10 DFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COCC(F)(F)F ZINC000292554823 427192556 /nfs/dbraw/zinc/19/25/56/427192556.db2.gz HPVPPOCFLYBULT-ZDUSSCGKSA-N 1 0 321.339 2.544 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)OC[C@H]3C)cc2)CC1 ZINC000296661485 427230196 /nfs/dbraw/zinc/23/01/96/427230196.db2.gz YMPJPWMTJSUIAV-HZPDHXFCSA-N 1 0 318.461 2.911 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1O ZINC000269810965 427281461 /nfs/dbraw/zinc/28/14/61/427281461.db2.gz OTGBFGYRNURKFP-IINYFYTJSA-N 1 0 311.809 2.984 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)c2ccncc2)cc1OC ZINC000183706893 427326061 /nfs/dbraw/zinc/32/60/61/427326061.db2.gz HDBCZMWVSVILQX-GFCCVEGCSA-N 1 0 302.374 2.997 20 10 DFCDRO CCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293508065 427346359 /nfs/dbraw/zinc/34/63/59/427346359.db2.gz OCOHASJGGSCERJ-UHFFFAOYSA-N 1 0 317.477 2.799 20 10 DFCDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)Cc2ccc(N)cc2)cc1 ZINC000262074963 427349686 /nfs/dbraw/zinc/34/96/86/427349686.db2.gz XFUZPQFVBGIFTL-LJQANCHMSA-N 1 0 323.440 2.547 20 10 DFCDRO Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000262575565 427361509 /nfs/dbraw/zinc/36/15/09/427361509.db2.gz JIRQTNMKHNGCMU-MRXNPFEDSA-N 1 0 311.429 2.824 20 10 DFCDRO Cc1cnc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)s1 ZINC000271220514 427459156 /nfs/dbraw/zinc/45/91/56/427459156.db2.gz YXFDGZVPRVXTIF-UHFFFAOYSA-N 1 0 303.431 2.788 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1F ZINC000271233543 427462486 /nfs/dbraw/zinc/46/24/86/427462486.db2.gz RDLGBGOHZQFESO-INIZCTEOSA-N 1 0 320.383 2.724 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278306537 427426485 /nfs/dbraw/zinc/42/64/85/427426485.db2.gz DUWSBRSBHXQRKD-HZMBPMFUSA-N 1 0 319.323 2.536 20 10 DFCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000293754140 427427503 /nfs/dbraw/zinc/42/75/03/427427503.db2.gz QQBWSURCROVUAY-CABCVRRESA-N 1 0 305.466 2.956 20 10 DFCDRO C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409700 427434465 /nfs/dbraw/zinc/43/44/65/427434465.db2.gz FEKIJWCOSKYNHB-IRXDYDNUSA-N 1 0 319.493 2.904 20 10 DFCDRO COc1c([O-])c(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000278517310 427441210 /nfs/dbraw/zinc/44/12/10/427441210.db2.gz RDVQICMNJIPRRO-MLGOLLRUSA-N 1 0 324.377 2.602 20 10 DFCDRO COc1c([O-])c(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278483258 427442141 /nfs/dbraw/zinc/44/21/41/427442141.db2.gz JQVICCKLAJTZFB-OCCSQVGLSA-N 1 0 324.377 2.602 20 10 DFCDRO COc1c([O-])c(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000278517313 427442871 /nfs/dbraw/zinc/44/28/71/427442871.db2.gz RDVQICMNJIPRRO-WBMJQRKESA-N 1 0 324.377 2.602 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000278538764 427444309 /nfs/dbraw/zinc/44/43/09/427444309.db2.gz SUEVITQHEKFKKC-LSDHHAIUSA-N 1 0 306.475 2.927 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2ccco2)c1O ZINC000184709610 427523984 /nfs/dbraw/zinc/52/39/84/427523984.db2.gz APYFMYJBHUTJJI-HNNXBMFYSA-N 1 0 311.765 2.645 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)c(O)c1 ZINC000184719952 427525842 /nfs/dbraw/zinc/52/58/42/427525842.db2.gz QYGFXPLJLDNFKU-UHFFFAOYSA-N 1 0 307.390 2.520 20 10 DFCDRO FC(F)(F)CN1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000263722470 427550579 /nfs/dbraw/zinc/55/05/79/427550579.db2.gz WNYUACSCCVLIBI-UHFFFAOYSA-N 1 0 314.351 2.738 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000286876524 427550887 /nfs/dbraw/zinc/55/08/87/427550887.db2.gz HXMALNGKISYOSL-TZMCWYRMSA-N 1 0 302.340 2.952 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(Br)cc1O ZINC000184851347 427553418 /nfs/dbraw/zinc/55/34/18/427553418.db2.gz DLNRBZSXMFWYNU-GXSJLCMTSA-N 1 0 300.196 2.984 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000192842037 427620936 /nfs/dbraw/zinc/62/09/36/427620936.db2.gz KGGMGFYWPCGIHB-CYBMUJFWSA-N 1 0 320.433 2.698 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000192843203 427621962 /nfs/dbraw/zinc/62/19/62/427621962.db2.gz GQQLLAHWAXLEHI-AWEZNQCLSA-N 1 0 304.434 2.998 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c(O)c1 ZINC000184955854 427568442 /nfs/dbraw/zinc/56/84/42/427568442.db2.gz XGISRQRIMXEQCE-CQSZACIVSA-N 1 0 314.433 2.912 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cc2c(cc1O)CCCC2 ZINC000184982257 427572645 /nfs/dbraw/zinc/57/26/45/427572645.db2.gz SIUMLFOMODFIBR-MLGOLLRUSA-N 1 0 302.418 2.590 20 10 DFCDRO CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185014495 427577285 /nfs/dbraw/zinc/57/72/85/427577285.db2.gz BPSVCDFFYVYZTJ-OAHLLOKOSA-N 1 0 323.456 2.600 20 10 DFCDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185028837 427579427 /nfs/dbraw/zinc/57/94/27/427579427.db2.gz AJNNHFRQZSZXMK-CABCVRRESA-N 1 0 318.461 2.642 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)C[C@@H]1O ZINC000271776697 427586439 /nfs/dbraw/zinc/58/64/39/427586439.db2.gz DKVDWOFRNQQHRF-MFKMUULPSA-N 1 0 314.223 2.666 20 10 DFCDRO Cc1cccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1O ZINC000271826443 427589782 /nfs/dbraw/zinc/58/97/82/427589782.db2.gz NXTATDMCSKPHFC-KRWDZBQOSA-N 1 0 307.340 2.976 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000271853981 427591092 /nfs/dbraw/zinc/59/10/92/427591092.db2.gz RYDODBFDEWFDBK-DZGCQCFKSA-N 1 0 301.386 2.655 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)c1 ZINC000185097731 427595095 /nfs/dbraw/zinc/59/50/95/427595095.db2.gz OOSIRJQFDGPZKR-YVEFUNNKSA-N 1 0 317.385 2.794 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)c1 ZINC000185099961 427597193 /nfs/dbraw/zinc/59/71/93/427597193.db2.gz JFNJRJKWCSIOOP-CYBMUJFWSA-N 1 0 316.376 2.920 20 10 DFCDRO NC(=O)c1cccc(C[N@H+](Cc2cc(F)ccc2O)C2CC2)c1 ZINC000294886161 427665454 /nfs/dbraw/zinc/66/54/54/427665454.db2.gz WANHDYWPXHATFN-UHFFFAOYSA-N 1 0 314.360 2.795 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000192918413 427635142 /nfs/dbraw/zinc/63/51/42/427635142.db2.gz HDZKZSNXHAJGLN-NSHDSACASA-N 1 0 301.342 2.980 20 10 DFCDRO C[C@H]([NH2+]CCCCCO)c1cc(Br)ccc1O ZINC000192926106 427635947 /nfs/dbraw/zinc/63/59/47/427635947.db2.gz AVCFWNQGTZVPBX-JTQLQIEISA-N 1 0 302.212 2.968 20 10 DFCDRO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)CN1CCOCC1 ZINC000185504666 427664459 /nfs/dbraw/zinc/66/44/59/427664459.db2.gz VPXWTQNHRUAITK-OLZOCXBDSA-N 1 0 312.841 2.665 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c(O)c1 ZINC000279793242 427717068 /nfs/dbraw/zinc/71/70/68/427717068.db2.gz MNPYWBYVTWWJBC-OAHLLOKOSA-N 1 0 320.433 2.529 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000299522145 427767225 /nfs/dbraw/zinc/76/72/25/427767225.db2.gz LNNUYZDBDUXOOZ-GOSISDBHSA-N 1 0 315.461 2.730 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc2c(cc1O)CCCC2 ZINC000185994128 427739593 /nfs/dbraw/zinc/73/95/93/427739593.db2.gz HAGDACWQMRWJPI-SWLSCSKDSA-N 1 0 312.417 2.528 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc2ccccc2c1O ZINC000185993955 427740423 /nfs/dbraw/zinc/74/04/23/427740423.db2.gz JHWJVZSMCOUNCC-GXTWGEPZSA-N 1 0 308.385 2.803 20 10 DFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C2CC2)O1 ZINC000369527876 427990140 /nfs/dbraw/zinc/99/01/40/427990140.db2.gz POQBOBCTIZVDLK-KXBFYZLASA-N 1 0 316.445 2.523 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)c1O ZINC000370170918 428150701 /nfs/dbraw/zinc/15/07/01/428150701.db2.gz VWUYHYSMWGKYRX-JKSUJKDBSA-N 1 0 307.365 2.877 20 10 DFCDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000372080155 428413060 /nfs/dbraw/zinc/41/30/60/428413060.db2.gz BWLSUJFYDYIMQM-OALUTQOASA-N 1 0 315.461 2.728 20 10 DFCDRO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000371381295 428386082 /nfs/dbraw/zinc/38/60/82/428386082.db2.gz DGOUHSTVMWGXKS-CQSZACIVSA-N 1 0 300.406 2.692 20 10 DFCDRO CCc1nnc([C@H]2C[N@H+]([C@H](CC)c3ccccc3O)CCO2)[nH]1 ZINC000372486189 428452537 /nfs/dbraw/zinc/45/25/37/428452537.db2.gz VIHDNOCJIZIFDA-UKRRQHHQSA-N 1 0 316.405 2.597 20 10 DFCDRO CCc1nnc([C@H]2C[N@H+]([C@@H](CC)c3ccccc3O)CCO2)[nH]1 ZINC000372486187 428453631 /nfs/dbraw/zinc/45/36/31/428453631.db2.gz VIHDNOCJIZIFDA-DZGCQCFKSA-N 1 0 316.405 2.597 20 10 DFCDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000372082278 428415067 /nfs/dbraw/zinc/41/50/67/428415067.db2.gz ZFXWAEWYSARCGG-SJORKVTESA-N 1 0 302.418 2.676 20 10 DFCDRO COc1cc(Cl)cc(CN2CCC[C@@H]([NH+](C)C)CC2)c1O ZINC000372969826 428508806 /nfs/dbraw/zinc/50/88/06/428508806.db2.gz OPAOPRBXRWZCMO-CQSZACIVSA-N 1 0 312.841 2.970 20 10 DFCDRO C[C@H]1CC2(CCC2)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000373017611 428512783 /nfs/dbraw/zinc/51/27/83/428512783.db2.gz DLLHVKRAOODLDH-HNNXBMFYSA-N 1 0 315.461 2.633 20 10 DFCDRO CCN(CC)c1ccc(CN2CC[S@](=O)CC[C@H]2C)cc1 ZINC000373038780 428514583 /nfs/dbraw/zinc/51/45/83/428514583.db2.gz WQEQJIMCUUUJKF-QVKFZJNVSA-N 1 0 308.491 2.876 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH+]2CCC(c3nc(C)n[nH]3)CC2)c1 ZINC000372600289 428474448 /nfs/dbraw/zinc/47/44/48/428474448.db2.gz JVXAIKBJYLPMSH-NSHDSACASA-N 1 0 316.405 2.768 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH+]2CCC(c3nc(C)n[nH]3)CC2)c1 ZINC000372600288 428474846 /nfs/dbraw/zinc/47/48/46/428474846.db2.gz JVXAIKBJYLPMSH-LLVKDONJSA-N 1 0 316.405 2.768 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@@]2(CCCOC2)O1 ZINC000373464309 428584277 /nfs/dbraw/zinc/58/42/77/428584277.db2.gz DSUWAQJSDDNREQ-CRAIPNDOSA-N 1 0 321.417 2.561 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)c1 ZINC000373484348 428587139 /nfs/dbraw/zinc/58/71/39/428587139.db2.gz XLDISHDFOGNBEB-CRAIPNDOSA-N 1 0 321.417 2.561 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccccc3)C1)OCO2 ZINC000361524283 428573884 /nfs/dbraw/zinc/57/38/84/428573884.db2.gz BXGIAAFKQSWMKV-HNNXBMFYSA-N 1 0 313.353 2.774 20 10 DFCDRO CCc1nnc2n1C[C@H]([NH2+][C@H](CC)c1ccc(C)cc1O)CC2 ZINC000373848188 428651675 /nfs/dbraw/zinc/65/16/75/428651675.db2.gz BELKQKDXMVUIKI-UKRRQHHQSA-N 1 0 314.433 2.910 20 10 DFCDRO COc1c(O)c(C[NH2+][C@@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000373918566 428654394 /nfs/dbraw/zinc/65/43/94/428654394.db2.gz RBDJYDIBCGZIII-GFCCVEGCSA-N 1 0 316.313 2.532 20 10 DFCDRO O=C1C[C@H]([NH2+]Cc2ccccc2O)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000374156544 428666676 /nfs/dbraw/zinc/66/66/76/428666676.db2.gz HGBGRBLTMQMZOT-RCCFBDPRSA-N 1 0 322.408 2.639 20 10 DFCDRO CCOCc1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)ccc1OC ZINC000374544950 428696182 /nfs/dbraw/zinc/69/61/82/428696182.db2.gz JMQVOXCUQUSGKJ-INIZCTEOSA-N 1 0 315.417 2.602 20 10 DFCDRO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2cc(F)ccc2O)c1 ZINC000374371029 428677841 /nfs/dbraw/zinc/67/78/41/428677841.db2.gz HWLGBHJMACDTGT-WBVHZDCISA-N 1 0 317.360 2.848 20 10 DFCDRO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2Cc2cc(F)ccc2O)c1 ZINC000374371028 428677851 /nfs/dbraw/zinc/67/78/51/428677851.db2.gz HWLGBHJMACDTGT-RDJZCZTQSA-N 1 0 317.360 2.848 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1O ZINC000374412920 428679771 /nfs/dbraw/zinc/67/97/71/428679771.db2.gz WGUKKCVFKJHYEM-STQMWFEESA-N 1 0 307.365 2.592 20 10 DFCDRO Oc1ccccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000374891940 428776702 /nfs/dbraw/zinc/77/67/02/428776702.db2.gz HDHGPBVRFXVORN-XJKSGUPXSA-N 1 0 305.324 2.978 20 10 DFCDRO Oc1ccccc1C[NH+]1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000374785410 428751699 /nfs/dbraw/zinc/75/16/99/428751699.db2.gz VRKUCVALNRLVFI-UHFFFAOYSA-N 1 0 306.369 2.708 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1O ZINC000362621277 428794531 /nfs/dbraw/zinc/79/45/31/428794531.db2.gz IPPWTDWVICMAEV-AWEZNQCLSA-N 1 0 313.401 2.961 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)ccc21 ZINC000363504303 428932294 /nfs/dbraw/zinc/93/22/94/428932294.db2.gz HLWZYFXUXLKIBR-KBAYOESNSA-N 1 0 300.446 2.972 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCN(c3cncc(F)c3)CC2)c1O ZINC000364291248 429176571 /nfs/dbraw/zinc/17/65/71/429176571.db2.gz OXRZNAOGVJBYPD-UHFFFAOYSA-N 1 0 315.392 2.947 20 10 DFCDRO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCN3C)c1 ZINC000365486322 429327258 /nfs/dbraw/zinc/32/72/58/429327258.db2.gz BKXCPDLWHWJZRL-GFCCVEGCSA-N 1 0 314.385 2.909 20 10 DFCDRO CCN(CC)c1ccc(CN2CCO[C@@H]3CCOC[C@H]32)cc1 ZINC000366488454 429461913 /nfs/dbraw/zinc/46/19/13/429461913.db2.gz JAPNIFMIXVADDG-QZTJIDSGSA-N 1 0 304.434 2.523 20 10 DFCDRO Cc1ccc(/C=C/C(=O)N(CC[NH+](C)C)c2ccccc2)cn1 ZINC000492511320 429554249 /nfs/dbraw/zinc/55/42/49/429554249.db2.gz XNKLRZBKUUKJAA-VAWYXSNFSA-N 1 0 309.413 2.998 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1O ZINC000367039831 429564537 /nfs/dbraw/zinc/56/45/37/429564537.db2.gz AUIJWWMBFHMBKP-RDJZCZTQSA-N 1 0 324.424 2.886 20 10 DFCDRO CN(C)c1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1F ZINC000367414872 429644392 /nfs/dbraw/zinc/64/43/92/429644392.db2.gz IBCPWIXWEDNQJF-UHFFFAOYSA-N 1 0 302.397 2.714 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C12CCOCC2 ZINC000296459094 276347777 /nfs/dbraw/zinc/34/77/77/276347777.db2.gz NSOLWTRELUZFJD-USXIJHARSA-N 1 0 317.429 2.943 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280506427 276380188 /nfs/dbraw/zinc/38/01/88/276380188.db2.gz PZJXLFHYURFXQS-CQSZACIVSA-N 1 0 321.417 2.561 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000368824250 429896802 /nfs/dbraw/zinc/89/68/02/429896802.db2.gz KYFUEUUABITYOL-MRXNPFEDSA-N 1 0 312.417 2.758 20 10 DFCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1C ZINC000369082049 429911679 /nfs/dbraw/zinc/91/16/79/429911679.db2.gz DDXVTVAWGNKPLQ-MAUKXSAKSA-N 1 0 305.418 2.779 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000529675798 430050613 /nfs/dbraw/zinc/05/06/13/430050613.db2.gz JMHWADBGEPCPKX-LAPQFRIASA-N 1 0 313.850 2.839 20 10 DFCDRO COc1cc(O)c(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1OC ZINC000368246126 277833512 /nfs/dbraw/zinc/83/35/12/277833512.db2.gz RNNKMMMPXMYUQV-CQSZACIVSA-N 1 0 321.417 2.658 20 10 DFCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280444470 279374553 /nfs/dbraw/zinc/37/45/53/279374553.db2.gz YKECCDWWBFJDOC-LADRHHBVSA-N 1 0 322.396 2.628 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000365653577 281025413 /nfs/dbraw/zinc/02/54/13/281025413.db2.gz LZJMVVSJJPQENN-DJIMGWMZSA-N 1 0 304.434 2.638 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000092506839 332127428 /nfs/dbraw/zinc/12/74/28/332127428.db2.gz RWCNWLAOPBQXFP-JZXOWHBKSA-N 1 0 318.461 2.774 20 10 DFCDRO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000132859728 332135031 /nfs/dbraw/zinc/13/50/31/332135031.db2.gz DHKXUIZUUZGJQX-CYBMUJFWSA-N 1 0 307.438 2.928 20 10 DFCDRO COC(=O)[C@H]1CCCCC[N@@H+]1[C@@H](C)c1cc(OC)ccc1O ZINC000368030850 332171697 /nfs/dbraw/zinc/17/16/97/332171697.db2.gz PYAOMIIYSYVDHS-SWLSCSKDSA-N 1 0 307.390 2.879 20 10 DFCDRO Cc1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)ccc1N(C)C ZINC000293728611 335112877 /nfs/dbraw/zinc/11/28/77/335112877.db2.gz GJIXJBZBNOLAOL-UHFFFAOYSA-N 1 0 316.367 2.950 20 10 DFCDRO Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CCOC2)c1O ZINC000180623925 333029102 /nfs/dbraw/zinc/02/91/02/333029102.db2.gz LMSQEMYIPZQMNL-LLVKDONJSA-N 1 0 314.223 2.931 20 10 DFCDRO C[C@H](CCCO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185688110 333211911 /nfs/dbraw/zinc/21/19/11/333211911.db2.gz OODFTXXZOBRGIV-NXEZZACHSA-N 1 0 302.212 2.966 20 10 DFCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000296193798 335140194 /nfs/dbraw/zinc/14/01/94/335140194.db2.gz YPKGYRSKOVVVLN-JTQLQIEISA-N 1 0 316.313 2.880 20 10 DFCDRO COC1CCN(c2ccc(C[NH+]3CCC(C)(O)CC3)cc2)CC1 ZINC000296890075 335149595 /nfs/dbraw/zinc/14/95/95/335149595.db2.gz XXVGXKIXIXAJNB-UHFFFAOYSA-N 1 0 318.461 2.649 20 10 DFCDRO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000290152855 333695433 /nfs/dbraw/zinc/69/54/33/333695433.db2.gz LETZVALHZBWKLU-UHFFFAOYSA-N 1 0 324.490 2.590 20 10 DFCDRO CCOC1(C[NH2+]Cc2cc(OC)c(OC)cc2O)CCCC1 ZINC000293685771 334200883 /nfs/dbraw/zinc/20/08/83/334200883.db2.gz QEMCMFQKCHGFST-UHFFFAOYSA-N 1 0 309.406 2.848 20 10 DFCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000296345131 334232415 /nfs/dbraw/zinc/23/24/15/334232415.db2.gz HZYJSRGOJMXYTI-YGRLFVJLSA-N 1 0 314.376 2.824 20 10 DFCDRO CCC[N@H+](CC(=O)NCc1cccs1)Cc1ccccc1O ZINC000299649875 334256881 /nfs/dbraw/zinc/25/68/81/334256881.db2.gz OJTJVNLOFZDVAF-UHFFFAOYSA-N 1 0 318.442 2.982 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CCN3CC=CCC3)CC2)cc1 ZINC000366873874 335268542 /nfs/dbraw/zinc/26/85/42/335268542.db2.gz UGKXWTBXKGMWGL-UHFFFAOYSA-N 1 0 315.461 2.516 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1C ZINC000366899197 335325879 /nfs/dbraw/zinc/32/58/79/335325879.db2.gz BJIGYOCXFFPMCH-IBGZPJMESA-N 1 0 313.397 2.769 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c1 ZINC000192914416 336284133 /nfs/dbraw/zinc/28/41/33/336284133.db2.gz MZRADFYJQUFRJE-WFASDCNBSA-N 1 0 304.390 2.947 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000367282085 336598074 /nfs/dbraw/zinc/59/80/74/336598074.db2.gz GNIANHXQRTXZJT-CZUORRHYSA-N 1 0 305.761 2.630 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3nc(C)cn3C2)c1 ZINC000368314862 336842303 /nfs/dbraw/zinc/84/23/03/336842303.db2.gz GGASTCRUIOKWKH-QWHCGFSZSA-N 1 0 301.390 2.571 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCc2nnc(C)n2C1)c1ccc(N(C)C)cc1 ZINC000369474090 336865353 /nfs/dbraw/zinc/86/53/53/336865353.db2.gz XVGQSUGPZPVZMQ-NVXWUHKLSA-N 1 0 313.449 2.708 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(O)c1C ZINC000369901162 336873960 /nfs/dbraw/zinc/87/39/60/336873960.db2.gz FJASDIQPMCSMLK-HDMKZQKVSA-N 1 0 305.418 2.998 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2N2CCOCC2)c1 ZINC000371868794 336915203 /nfs/dbraw/zinc/91/52/03/336915203.db2.gz CCNGNPCDWIPUKO-BQFCYCMXSA-N 1 0 318.461 2.852 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccn(C)n3)C2)c(O)c1C ZINC000371877217 336915513 /nfs/dbraw/zinc/91/55/13/336915513.db2.gz UBKIBIQBQAVBKZ-GJZGRUSLSA-N 1 0 314.433 2.672 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1 ZINC000373234567 336954129 /nfs/dbraw/zinc/95/41/29/336954129.db2.gz WNEXWPWQMQRWBF-UHFFFAOYSA-N 1 0 314.408 2.609 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000373516796 336963432 /nfs/dbraw/zinc/96/34/32/336963432.db2.gz RBRVVDZKMWIPAP-MRXNPFEDSA-N 1 0 317.477 2.929 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccncn3)C2)c(O)c1 ZINC000376310082 337031149 /nfs/dbraw/zinc/03/11/49/337031149.db2.gz XPCWPOLFCFIYJQ-GJZGRUSLSA-N 1 0 312.417 2.810 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCCC[C@H]3CO2)c(O)c1 ZINC000376894159 337043372 /nfs/dbraw/zinc/04/33/72/337043372.db2.gz RORXJHWZLGRMGA-JYJNAYRXSA-N 1 0 304.434 2.605 20 10 DFCDRO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000377384473 337051416 /nfs/dbraw/zinc/05/14/16/337051416.db2.gz WVZDBRMHIRVSLJ-VVVCHXIZSA-N 1 0 317.316 2.872 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[N@H+](C)C[C@@H]2CCc3nccn3C2)c1 ZINC000377687669 337058372 /nfs/dbraw/zinc/05/83/72/337058372.db2.gz ALVGWGXUTZDZCW-KGLIPLIRSA-N 1 0 315.417 2.853 20 10 DFCDRO CCN(CC)c1ccc(CN2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000377693749 337058704 /nfs/dbraw/zinc/05/87/04/337058704.db2.gz HSDACLFUUUSKDD-RTBURBONSA-N 1 0 318.461 2.913 20 10 DFCDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cc(OC)ccc2O)C[C@]2(CCOC2)O1 ZINC000377699870 337058977 /nfs/dbraw/zinc/05/89/77/337058977.db2.gz QREQMFZYWZTCDJ-IYOUNJFTSA-N 1 0 321.417 2.732 20 10 DFCDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cc(OC)ccc2O)C[C@@]2(CCOC2)O1 ZINC000377699874 337059044 /nfs/dbraw/zinc/05/90/44/337059044.db2.gz QREQMFZYWZTCDJ-PMUMKWKESA-N 1 0 321.417 2.732 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000377890308 337063514 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CCCOc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(O)c1 ZINC000179468961 337169653 /nfs/dbraw/zinc/16/96/53/337169653.db2.gz VRENELJFBABITI-HNNXBMFYSA-N 1 0 316.405 2.610 20 10 DFCDRO CCOC(=O)C1CCC([NH2+]Cc2ccc3c(c2)CCN3C)CC1 ZINC000321023773 337175967 /nfs/dbraw/zinc/17/59/67/337175967.db2.gz OTLUGLHVYSHYGB-UHFFFAOYSA-N 1 0 316.445 2.890 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000184807280 337200322 /nfs/dbraw/zinc/20/03/22/337200322.db2.gz IDLLZKYFARBPSD-UHFFFAOYSA-N 1 0 301.365 2.639 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000184989439 337202287 /nfs/dbraw/zinc/20/22/87/337202287.db2.gz BXXFWPMXQQWRLU-CYBMUJFWSA-N 1 0 324.384 2.832 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c(O)c1 ZINC000185553051 337249090 /nfs/dbraw/zinc/24/90/90/337249090.db2.gz RJNZIYCHAYJKQU-CABCVRRESA-N 1 0 314.433 2.754 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000185585523 337249145 /nfs/dbraw/zinc/24/91/45/337249145.db2.gz RANAGQZVLKQRHW-RYUDHWBXSA-N 1 0 316.405 2.740 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)CC2 ZINC000185995100 337252542 /nfs/dbraw/zinc/25/25/42/337252542.db2.gz VJUQVYCJZIXISJ-STQMWFEESA-N 1 0 300.406 2.520 20 10 DFCDRO C[C@H](CO)CCC[NH2+]Cc1cc(Br)ccc1O ZINC000230158068 337269972 /nfs/dbraw/zinc/26/99/72/337269972.db2.gz VPJXUXUJDAITTE-JTQLQIEISA-N 1 0 302.212 2.653 20 10 DFCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H]1CCOC1 ZINC000230684117 337272973 /nfs/dbraw/zinc/27/29/73/337272973.db2.gz SCAGLRIDNLRFSE-NXEZZACHSA-N 1 0 300.196 2.669 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190338855 337286794 /nfs/dbraw/zinc/28/67/94/337286794.db2.gz ZDEHUJCXSAKBMO-BZPMIXESSA-N 1 0 312.207 2.812 20 10 DFCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCN1C1CCCCC1)OCO2 ZINC000527750309 337761401 /nfs/dbraw/zinc/76/14/01/337761401.db2.gz APEPSHIURFNRBG-OAHLLOKOSA-N 1 0 318.417 2.618 20 10 DFCDRO CCOCc1cc(C[NH2+][C@]23C[C@H]2COC3(C)C)ccc1OC ZINC000527767428 337762227 /nfs/dbraw/zinc/76/22/27/337762227.db2.gz UZDQSYCFUHDMOK-MAUKXSAKSA-N 1 0 305.418 2.889 20 10 DFCDRO CC(C)([NH2+]Cc1ccccc1O)C(=O)NCC1CCCCC1 ZINC000129494219 519324965 /nfs/dbraw/zinc/32/49/65/519324965.db2.gz BYBWPWWRRXZLNT-UHFFFAOYSA-N 1 0 304.434 2.957 20 10 DFCDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180016572 519503051 /nfs/dbraw/zinc/50/30/51/519503051.db2.gz VRWLDOIIASQREJ-ZDUSSCGKSA-N 1 0 308.397 2.516 20 10 DFCDRO CCOCc1cc(C[NH2+][C@H]2CCC[C@H]2CCO)ccc1OC ZINC000189929844 520187853 /nfs/dbraw/zinc/18/78/53/520187853.db2.gz IQKGEBBHTPVQFQ-RDJZCZTQSA-N 1 0 307.434 2.872 20 10 DFCDRO CCCOc1ccc(C[NH+]2CCC(C3OCCO3)CC2)c(O)c1 ZINC000130104743 520347315 /nfs/dbraw/zinc/34/73/15/520347315.db2.gz FOCBQVOQBQHLKL-UHFFFAOYSA-N 1 0 321.417 2.766 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)ccc2O)C12CCOCC2 ZINC000185658888 520427629 /nfs/dbraw/zinc/42/76/29/520427629.db2.gz SVBRDEUHAGGOLJ-DLBZAZTESA-N 1 0 305.418 2.764 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)c1 ZINC000191676714 521146432 /nfs/dbraw/zinc/14/64/32/521146432.db2.gz TWEJGVJLGHGYTD-YLQAJVPDSA-N 1 0 319.401 2.564 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2ccsc2)c1 ZINC000265888619 521150351 /nfs/dbraw/zinc/15/03/51/521150351.db2.gz QNJIUNORUKWJHF-MRXNPFEDSA-N 1 0 307.415 2.850 20 10 DFCDRO COc1cc(O)c(CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000180439378 522770856 /nfs/dbraw/zinc/77/08/56/522770856.db2.gz VLPYYQQLJNZTCT-OAHLLOKOSA-N 1 0 322.449 2.716 20 10 DFCDRO COCCCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000122616493 523135696 /nfs/dbraw/zinc/13/56/96/523135696.db2.gz NDHOZMBGPKWQSN-MRXNPFEDSA-N 1 0 306.450 2.991 20 10 DFCDRO COc1ccc(-n2c(C)cc(C(=O)NCCCC[NH3+])c2C)cc1 ZINC000237304242 523313954 /nfs/dbraw/zinc/31/39/54/523313954.db2.gz MAJYYOVVVUXQRJ-UHFFFAOYSA-N 1 0 315.417 2.571 20 10 DFCDRO CCn1cc([C@@H]2C[N@H+](Cc3cc(C)c(C)cc3O)CCO2)cn1 ZINC000189851156 523466642 /nfs/dbraw/zinc/46/66/42/523466642.db2.gz STISYQVIHUBEII-SFHVURJKSA-N 1 0 315.417 2.799 20 10 DFCDRO CN(c1ccc(CNC(=O)C2([NH3+])CC2)cc1)C1CCCCC1 ZINC000237054367 523637000 /nfs/dbraw/zinc/63/70/00/523637000.db2.gz WDRGQBITVXYLTQ-UHFFFAOYSA-N 1 0 301.434 2.563 20 10 DFCDRO CC[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[NH+](C)C ZINC000124613118 523754173 /nfs/dbraw/zinc/75/41/73/523754173.db2.gz AQZIESSXBQMRSU-GOSISDBHSA-N 1 0 317.477 2.976 20 10 DFCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)c(C)cc1O)CC2 ZINC000265099293 523945845 /nfs/dbraw/zinc/94/58/45/523945845.db2.gz XFEUQYWEUQFFDD-OAHLLOKOSA-N 1 0 303.402 2.784 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)ccc21 ZINC000363504302 523997259 /nfs/dbraw/zinc/99/72/59/523997259.db2.gz HLWZYFXUXLKIBR-JQHSSLGASA-N 1 0 300.446 2.972 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1O ZINC000180080038 524387858 /nfs/dbraw/zinc/38/78/58/524387858.db2.gz JONATAWUZGNHAP-UHFFFAOYSA-N 1 0 312.417 2.591 20 10 DFCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000179878091 524763938 /nfs/dbraw/zinc/76/39/38/524763938.db2.gz WURNXSCQCIBBCS-HUUCEWRRSA-N 1 0 301.386 2.791 20 10 DFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(C3OCCO3)CC2)c1O ZINC000180011550 524861356 /nfs/dbraw/zinc/86/13/56/524861356.db2.gz WRWHTPJOMXBNEW-UHFFFAOYSA-N 1 0 311.809 2.939 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000371515298 524872445 /nfs/dbraw/zinc/87/24/45/524872445.db2.gz VCLGFSOLQCAIQR-ZBFHGGJFSA-N 1 0 311.809 2.782 20 10 DFCDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131179467 524878500 /nfs/dbraw/zinc/87/85/00/524878500.db2.gz AMDHVJUYRIHKNK-YCRPNKLZSA-N 1 0 308.491 2.876 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(N2CCCCC2)cc1 ZINC000180491681 525506038 /nfs/dbraw/zinc/50/60/38/525506038.db2.gz LWXUJLQTOJDOTQ-APWZRJJASA-N 1 0 317.477 2.658 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccnn1C)c1cc(Br)ccc1O ZINC000181011327 525545289 /nfs/dbraw/zinc/54/52/89/525545289.db2.gz LYGWHYVCQKEBDE-SECBINFHSA-N 1 0 310.195 2.739 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000189004994 525589597 /nfs/dbraw/zinc/58/95/97/525589597.db2.gz NCVRAUIXXNVARH-KGLIPLIRSA-N 1 0 321.440 2.943 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(Br)cc1O ZINC000187680442 525652474 /nfs/dbraw/zinc/65/24/74/525652474.db2.gz PMUZILCAMUGSBK-WQHBLYJGSA-N 1 0 314.223 2.965 20 10 DFCDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1F ZINC000265171978 525776702 /nfs/dbraw/zinc/77/67/02/525776702.db2.gz USPNWFMMLMFQNC-GOSISDBHSA-N 1 0 319.351 2.897 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1O ZINC000180129402 525942640 /nfs/dbraw/zinc/94/26/40/525942640.db2.gz LFWJMFDFTUPRCM-HNNXBMFYSA-N 1 0 301.390 2.570 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c1O ZINC000266149744 526020421 /nfs/dbraw/zinc/02/04/21/526020421.db2.gz KBXJMHLXGBQXRM-QGZVFWFLSA-N 1 0 305.374 2.608 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]CCOCC(F)F)c1O ZINC000189003883 526156964 /nfs/dbraw/zinc/15/69/64/526156964.db2.gz GMLCSJXWDXYNGV-UHFFFAOYSA-N 1 0 324.165 2.834 20 10 DFCDRO Cc1cc(Br)cc(CN2CCC[N@@H+](C)CC2)c1O ZINC000124494776 526158815 /nfs/dbraw/zinc/15/88/15/526158815.db2.gz BOOBXTOGPADGQY-UHFFFAOYSA-N 1 0 313.239 2.601 20 10 DFCDRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000158294474 526246438 /nfs/dbraw/zinc/24/64/38/526246438.db2.gz SPDYPIRXJKJZKH-MRXNPFEDSA-N 1 0 311.429 2.966 20 10 DFCDRO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000161995888 526960318 /nfs/dbraw/zinc/96/03/18/526960318.db2.gz QQOYNUDUFHJRPB-KRWDZBQOSA-N 1 0 301.434 2.517 20 10 DFCDRO O=C1CCCCN1CC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180177399 526970716 /nfs/dbraw/zinc/97/07/16/526970716.db2.gz VIVLANXOIIPDPW-UHFFFAOYSA-N 1 0 320.408 2.756 20 10 DFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000297582403 528147547 /nfs/dbraw/zinc/14/75/47/528147547.db2.gz DPYLIBNDXAINHG-INIZCTEOSA-N 1 0 321.417 2.715 20 10 DFCDRO CC1CC[NH+](CCCCNC(=O)NCc2ccccc2O)CC1 ZINC000299523311 535277744 /nfs/dbraw/zinc/27/77/44/535277744.db2.gz QTVHPFNOZNYYPH-UHFFFAOYSA-N 1 0 319.449 2.704 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000273391977 536792706 /nfs/dbraw/zinc/79/27/06/536792706.db2.gz LAJQLBRXPJCBLC-KGLIPLIRSA-N 1 0 320.433 2.561 20 10 DFCDRO Cc1cc(C)c(O)c(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826263487 607845614 /nfs/dbraw/zinc/84/56/14/607845614.db2.gz DGIGBFVPYYDRCP-UHFFFAOYSA-N 1 0 323.400 2.821 20 10 DFCDRO CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000090183230 185286115 /nfs/dbraw/zinc/28/61/15/185286115.db2.gz ZLIRVROQQVHMOO-INIZCTEOSA-N 1 0 324.490 2.618 20 10 DFCDRO CCC[N@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1O ZINC000092705029 185334344 /nfs/dbraw/zinc/33/43/44/185334344.db2.gz CIPNVOYLOOYABX-UHFFFAOYSA-N 1 0 302.374 2.919 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)COC(C)(C)C)C2CC2)cc1 ZINC000298735373 282288917 /nfs/dbraw/zinc/28/89/17/282288917.db2.gz UUJVNBGZAYIQCF-SFHVURJKSA-N 1 0 320.477 2.893 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000089682029 398463801 /nfs/dbraw/zinc/46/38/01/398463801.db2.gz PUDIMTGWZINARG-HNAYVOBHSA-N 1 0 317.477 2.657 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1O ZINC000370027882 398653712 /nfs/dbraw/zinc/65/37/12/398653712.db2.gz RJLMAKIEPMLRKJ-INIZCTEOSA-N 1 0 320.408 2.794 20 10 DFCDRO CC1CCC([NH+]2CCN(C(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC000236788113 202010327 /nfs/dbraw/zinc/01/03/27/202010327.db2.gz BUQWAEXYOSEZDZ-UHFFFAOYSA-N 1 0 315.461 2.534 20 10 DFCDRO CC(C)[NH+](CCCNC(=O)NCc1ccccc1O)C(C)C ZINC000074869567 398772781 /nfs/dbraw/zinc/77/27/81/398772781.db2.gz DVDZUIWNLXMQTN-UHFFFAOYSA-N 1 0 307.438 2.700 20 10 DFCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)cc2c1OCO2 ZINC000091956443 193132258 /nfs/dbraw/zinc/13/22/58/193132258.db2.gz FIVXPFINTSKGKE-UHFFFAOYSA-N 1 0 301.342 2.762 20 10 DFCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(N(C)C)cc1 ZINC000285609407 296119533 /nfs/dbraw/zinc/11/95/33/296119533.db2.gz JAXSTYQNMIOGLF-CQSZACIVSA-N 1 0 324.490 2.761 20 10 DFCDRO C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273420176 296131026 /nfs/dbraw/zinc/13/10/26/296131026.db2.gz RYYWDOBGRACTEM-QWHCGFSZSA-N 1 0 307.394 2.683 20 10 DFCDRO COc1cccc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000093360270 193238218 /nfs/dbraw/zinc/23/82/18/193238218.db2.gz MVGMCVUKIXOQCQ-GFCCVEGCSA-N 1 0 324.421 2.746 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c(O)c1 ZINC000105492910 194105328 /nfs/dbraw/zinc/10/53/28/194105328.db2.gz FJQDEHKQFPNICT-KRWDZBQOSA-N 1 0 315.413 2.874 20 10 DFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000066203547 184396613 /nfs/dbraw/zinc/39/66/13/184396613.db2.gz VKBBVSDVFMNEFC-OAHLLOKOSA-N 1 0 320.481 2.624 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000272766935 130060770 /nfs/dbraw/zinc/06/07/70/130060770.db2.gz MGSVGVVDWJXTCO-UHFFFAOYSA-N 1 0 302.340 2.642 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1O ZINC000272876997 130070970 /nfs/dbraw/zinc/07/09/70/130070970.db2.gz PTILTSHSPHQOMX-PBHICJAKSA-N 1 0 310.397 2.844 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)c1 ZINC000273369865 130112426 /nfs/dbraw/zinc/11/24/26/130112426.db2.gz FUQNFCQKDXZYIF-LBPRGKRZSA-N 1 0 301.390 2.713 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(Br)cc1O ZINC000273420129 130119196 /nfs/dbraw/zinc/11/91/96/130119196.db2.gz RXSHNSVIDQQBMX-NXEZZACHSA-N 1 0 300.196 2.842 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1 ZINC000273433973 130120315 /nfs/dbraw/zinc/12/03/15/130120315.db2.gz WONFXYZZLXPTOT-AWEZNQCLSA-N 1 0 319.426 2.825 20 10 DFCDRO C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000273481190 130126223 /nfs/dbraw/zinc/12/62/23/130126223.db2.gz MBAQNQVLMZUHPH-VUCTXSBTSA-N 1 0 322.424 2.560 20 10 DFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000273552578 130135578 /nfs/dbraw/zinc/13/55/78/130135578.db2.gz GEVGZKSFLZUFDU-CYBMUJFWSA-N 1 0 320.433 2.561 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(F)ccc1O ZINC000273602522 130143442 /nfs/dbraw/zinc/14/34/42/130143442.db2.gz SECXBYMEDCUNNA-OUCADQQQSA-N 1 0 308.397 2.829 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c(O)c1C ZINC000273604712 130143875 /nfs/dbraw/zinc/14/38/75/130143875.db2.gz SWCXHZDQBSYWJJ-CZUORRHYSA-N 1 0 306.450 2.628 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274412862 130232658 /nfs/dbraw/zinc/23/26/58/130232658.db2.gz SCBJTINREHDZTF-LBPRGKRZSA-N 1 0 303.431 2.896 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(C)(C)n1cncn1 ZINC000284069597 131045935 /nfs/dbraw/zinc/04/59/35/131045935.db2.gz LGYZWSAWDOSJRH-HNNXBMFYSA-N 1 0 313.449 2.792 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c(O)c1 ZINC000284281290 131065809 /nfs/dbraw/zinc/06/58/09/131065809.db2.gz XJOSBSJOLLNWSW-JKSUJKDBSA-N 1 0 306.450 2.506 20 10 DFCDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000284402546 131077397 /nfs/dbraw/zinc/07/73/97/131077397.db2.gz PTPVNARGGRMEMY-JLJPHGGASA-N 1 0 308.466 2.561 20 10 DFCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000284908371 131121491 /nfs/dbraw/zinc/12/14/91/131121491.db2.gz GDNDGWYNGUKGKK-QGZVFWFLSA-N 1 0 318.392 2.932 20 10 DFCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000284983176 131128407 /nfs/dbraw/zinc/12/84/07/131128407.db2.gz GELKFADOUVHYKC-ZBFHGGJFSA-N 1 0 304.434 2.918 20 10 DFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285016602 131131079 /nfs/dbraw/zinc/13/10/79/131131079.db2.gz HHQUYKGJNGTABX-IBGZPJMESA-N 1 0 313.397 2.927 20 10 DFCDRO CCc1ccc([C@H](O)C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000285539629 131178230 /nfs/dbraw/zinc/17/82/30/131178230.db2.gz PUWDGMFRDFLWED-MRXNPFEDSA-N 1 0 315.369 2.507 20 10 DFCDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000285584713 131183125 /nfs/dbraw/zinc/18/31/25/131183125.db2.gz UFHLDXKVADPNAD-DOMZBBRYSA-N 1 0 310.438 2.503 20 10 DFCDRO CCC[N@H+](CCN1CCCC1)Cc1cc(OC)c(OC)cc1O ZINC000289216021 131366317 /nfs/dbraw/zinc/36/63/17/131366317.db2.gz CFVRDXFWBWWQPV-UHFFFAOYSA-N 1 0 322.449 2.717 20 10 DFCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000289361769 131378790 /nfs/dbraw/zinc/37/87/90/131378790.db2.gz KMLTVRBOCLVNBA-CQSZACIVSA-N 1 0 310.369 2.632 20 10 DFCDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)c1O ZINC000289466202 131389188 /nfs/dbraw/zinc/38/91/88/131389188.db2.gz OXVICOMWNAVLIG-UHFFFAOYSA-N 1 0 315.417 2.930 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)NCc1ccccc1 ZINC000297803635 132034905 /nfs/dbraw/zinc/03/49/05/132034905.db2.gz QLJOZKLQRICFIE-BBRMVZONSA-N 1 0 310.397 2.674 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)NCc1ccccc1 ZINC000297803641 132034935 /nfs/dbraw/zinc/03/49/35/132034935.db2.gz QLJOZKLQRICFIE-XJKSGUPXSA-N 1 0 310.397 2.674 20 10 DFCDRO COc1ccc(O)c(C[N@H+](CCCO)Cc2ccccc2)c1 ZINC000271727454 286338119 /nfs/dbraw/zinc/33/81/19/286338119.db2.gz LZVQQNXVZZNCIO-UHFFFAOYSA-N 1 0 301.386 2.785 20 10 DFCDRO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187752946 286443094 /nfs/dbraw/zinc/44/30/94/286443094.db2.gz FDSNQXQIOBEWHM-VXGBXAGGSA-N 1 0 316.392 2.678 20 10 DFCDRO COc1cccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c1O ZINC000263703955 286452328 /nfs/dbraw/zinc/45/23/28/286452328.db2.gz RWHHAWQKKLPFBA-CYBMUJFWSA-N 1 0 300.358 2.669 20 10 DFCDRO COCCN(C)CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000171405963 292427588 /nfs/dbraw/zinc/42/75/88/292427588.db2.gz PIEYMDDXIHTUBZ-CQSZACIVSA-N 1 0 302.418 2.774 20 10 DFCDRO Cc1cc(Br)cc(C[NH+]2CC(C(C)(C)O)C2)c1O ZINC000297477515 227218749 /nfs/dbraw/zinc/21/87/49/227218749.db2.gz TUKIOUJSKRQEQX-UHFFFAOYSA-N 1 0 314.223 2.666 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1O ZINC000037648218 425848968 /nfs/dbraw/zinc/84/89/68/425848968.db2.gz IQZJSGOBADJFTO-NEPJUHHUSA-N 1 0 302.340 2.927 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1OC ZINC000158872150 425949259 /nfs/dbraw/zinc/94/92/59/425949259.db2.gz OGVMEWUKLQQQFG-DZGCQCFKSA-N 1 0 307.390 2.553 20 10 DFCDRO C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)Cc1ccccc1O ZINC000109773358 426032076 /nfs/dbraw/zinc/03/20/76/426032076.db2.gz AOCZMXUAHZJHFR-CQSZACIVSA-N 1 0 310.397 2.802 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000113318809 426111837 /nfs/dbraw/zinc/11/18/37/426111837.db2.gz QIPVNIYRJLYNSC-UHFFFAOYSA-N 1 0 320.824 2.696 20 10 DFCDRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000164802042 426117840 /nfs/dbraw/zinc/11/78/40/426117840.db2.gz IPSKPTCJKMYOBG-OAHLLOKOSA-N 1 0 324.490 2.762 20 10 DFCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000134142799 426184527 /nfs/dbraw/zinc/18/45/27/426184527.db2.gz LSYIUKPXMZUPFI-HNNXBMFYSA-N 1 0 319.449 2.512 20 10 DFCDRO O=C(CC1CC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269037 426186318 /nfs/dbraw/zinc/18/63/18/426186318.db2.gz IVABUHUZRGTAFP-OAHLLOKOSA-N 1 0 322.836 2.926 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC([NH+]3CCCC3)CC2)c1O ZINC000079414166 426191357 /nfs/dbraw/zinc/19/13/57/426191357.db2.gz YRBFAEOENRXOPU-UHFFFAOYSA-N 1 0 320.408 2.794 20 10 DFCDRO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ncc[nH]3)C2)cc1 ZINC000174621552 426261173 /nfs/dbraw/zinc/26/11/73/426261173.db2.gz HDPVQEUAQUIXNE-GFCCVEGCSA-N 1 0 322.359 2.770 20 10 DFCDRO CC[C@H]([NH2+]CC(C)(C)O)c1cc(Br)ccc1O ZINC000087009587 426262005 /nfs/dbraw/zinc/26/20/05/426262005.db2.gz GORMSVSYEGLNNK-NSHDSACASA-N 1 0 302.212 2.966 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000151351990 426291967 /nfs/dbraw/zinc/29/19/67/426291967.db2.gz LRYPOYMBRZDGCM-RHSMWYFYSA-N 1 0 323.458 2.935 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc1C ZINC000151990361 426321033 /nfs/dbraw/zinc/32/10/33/426321033.db2.gz NCPPSGHDJMLXHR-MRXNPFEDSA-N 1 0 318.461 2.694 20 10 DFCDRO CC(=O)c1cc(F)cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c1O ZINC000175678868 426321876 /nfs/dbraw/zinc/32/18/76/426321876.db2.gz PMZKAAWUXOXYLG-CYBMUJFWSA-N 1 0 308.397 2.508 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000175709313 426322804 /nfs/dbraw/zinc/32/28/04/426322804.db2.gz HYKKJCYRBTTYTF-CQSZACIVSA-N 1 0 320.408 2.652 20 10 DFCDRO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000090951384 426334819 /nfs/dbraw/zinc/33/48/19/426334819.db2.gz UHHLIUVQBNFAJX-ZBFHGGJFSA-N 1 0 324.440 2.864 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)c(O)c1 ZINC000152711758 426350223 /nfs/dbraw/zinc/35/02/23/426350223.db2.gz YVRGWFNKSOTYOR-QGZVFWFLSA-N 1 0 315.413 2.874 20 10 DFCDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000152839263 426357625 /nfs/dbraw/zinc/35/76/25/426357625.db2.gz FBVVIGLIGAAUDT-RKVPGOIHSA-N 1 0 304.434 2.741 20 10 DFCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000152838927 426357666 /nfs/dbraw/zinc/35/76/66/426357666.db2.gz FBVVIGLIGAAUDT-MPGHIAIKSA-N 1 0 304.434 2.741 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cccc(OC)c2O)CCN1CC(F)F ZINC000093767192 426358283 /nfs/dbraw/zinc/35/82/83/426358283.db2.gz RSXMHRHPFPEHRJ-ZDUSSCGKSA-N 1 0 314.376 2.562 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)cc1 ZINC000123024362 426409238 /nfs/dbraw/zinc/40/92/38/426409238.db2.gz HLKJAGHBYMIZIX-GOSISDBHSA-N 1 0 315.461 2.585 20 10 DFCDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000153829486 426409226 /nfs/dbraw/zinc/40/92/26/426409226.db2.gz MEIIXOBHVPRPLY-CQSZACIVSA-N 1 0 306.406 2.785 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000123699099 426449305 /nfs/dbraw/zinc/44/93/05/426449305.db2.gz IPHUKEIDXGZVDQ-FZMZJTMJSA-N 1 0 319.323 2.679 20 10 DFCDRO COc1cccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000154705388 426452251 /nfs/dbraw/zinc/45/22/51/426452251.db2.gz AUHRJELPZSDSEQ-OYHNWAKOSA-N 1 0 319.426 2.610 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NC)cc1 ZINC000154803782 426456015 /nfs/dbraw/zinc/45/60/15/426456015.db2.gz GTNWZJOMLXRWTE-KRWDZBQOSA-N 1 0 303.450 2.633 20 10 DFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1cnn(C)c1 ZINC000155313548 426469100 /nfs/dbraw/zinc/46/91/00/426469100.db2.gz CRGVHCUKJXRJHK-HUUCEWRRSA-N 1 0 314.433 2.669 20 10 DFCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000195194801 426506414 /nfs/dbraw/zinc/50/64/14/426506414.db2.gz WXVFOKORXSBIQB-SFHVURJKSA-N 1 0 321.417 2.812 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC000280300619 426543592 /nfs/dbraw/zinc/54/35/92/426543592.db2.gz OWMJMOBTBCZUBL-KBXCAEBGSA-N 1 0 321.417 2.561 20 10 DFCDRO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186539582 426546902 /nfs/dbraw/zinc/54/69/02/426546902.db2.gz KVDSPGMUHXYRGY-IRWWLHRVSA-N 1 0 320.252 2.572 20 10 DFCDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000194638087 426489194 /nfs/dbraw/zinc/48/91/94/426489194.db2.gz LLHQFOYEBYUVQK-GFCCVEGCSA-N 1 0 302.212 2.651 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cc(F)ccc1O ZINC000186172388 426491121 /nfs/dbraw/zinc/49/11/21/426491121.db2.gz AYKZXIGDTVKESU-JSGCOSHPSA-N 1 0 301.365 2.856 20 10 DFCDRO CCCN(Cc1cc(C(N)=O)cs1)c1ccc(C[NH3+])cc1 ZINC000194981162 426497303 /nfs/dbraw/zinc/49/73/03/426497303.db2.gz NDEVYBKHOPSTDN-UHFFFAOYSA-N 1 0 303.431 2.722 20 10 DFCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCOCC2 ZINC000186306366 426502015 /nfs/dbraw/zinc/50/20/15/426502015.db2.gz SAPDLZCHOWEDMZ-ROUUACIJSA-N 1 0 317.429 2.685 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1C ZINC000280133240 426503306 /nfs/dbraw/zinc/50/33/06/426503306.db2.gz CMKOOVHDCUDLMM-GOSISDBHSA-N 1 0 305.418 2.779 20 10 DFCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000280400510 426565794 /nfs/dbraw/zinc/56/57/94/426565794.db2.gz XSDPSLZUDRXRGX-IFXJQAMLSA-N 1 0 313.397 2.925 20 10 DFCDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000219069517 426570823 /nfs/dbraw/zinc/57/08/23/426570823.db2.gz OCVJJOWECVLJIR-YOEHRIQHSA-N 1 0 308.491 2.879 20 10 DFCDRO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000264617729 426575288 /nfs/dbraw/zinc/57/52/88/426575288.db2.gz PUZAHQIJHNNADH-INIZCTEOSA-N 1 0 301.386 2.572 20 10 DFCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1c(O)cccc1Cl)C[C@@H](C)O2 ZINC000280450461 426579449 /nfs/dbraw/zinc/57/94/49/426579449.db2.gz LFIJVOXVWHCBHU-XHBSWPGZSA-N 1 0 311.809 2.814 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccccc2)c1O ZINC000228669437 426634515 /nfs/dbraw/zinc/63/45/15/426634515.db2.gz KJSUQMKZIJAJNE-CQSZACIVSA-N 1 0 307.777 2.877 20 10 DFCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1O ZINC000289641160 426671336 /nfs/dbraw/zinc/67/13/36/426671336.db2.gz MKALRMSAFMPJKA-CJNGLKHVSA-N 1 0 324.852 2.649 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289897878 426676822 /nfs/dbraw/zinc/67/68/22/426676822.db2.gz WRFPQRLLDVYBOL-STQMWFEESA-N 1 0 303.324 2.693 20 10 DFCDRO CCN(CC[NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000227550946 426627012 /nfs/dbraw/zinc/62/70/12/426627012.db2.gz FZTCDYOPDWGFPY-UHFFFAOYSA-N 1 0 313.239 2.729 20 10 DFCDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000290210193 426718335 /nfs/dbraw/zinc/71/83/35/426718335.db2.gz PWHTVISVOKDZMA-ZWKOTPCHSA-N 1 0 315.461 2.537 20 10 DFCDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000237531848 426693994 /nfs/dbraw/zinc/69/39/94/426693994.db2.gz QMWXUFNSDXESEE-HNAYVOBHSA-N 1 0 323.440 2.591 20 10 DFCDRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cc2c(cc1O)CCCC2 ZINC000281027561 426700209 /nfs/dbraw/zinc/70/02/09/426700209.db2.gz ZWGXJGRIZAXMQY-JQFCIGGWSA-N 1 0 319.445 2.567 20 10 DFCDRO COc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1O ZINC000179316187 426779398 /nfs/dbraw/zinc/77/93/98/426779398.db2.gz UZBGDPPMNDLVSJ-UHFFFAOYSA-N 1 0 302.330 2.941 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CCS[C@H]3CCCC[C@H]31)OCO2 ZINC000245901821 426781161 /nfs/dbraw/zinc/78/11/61/426781161.db2.gz SNTOVOZJLJFOFC-WBMJQRKESA-N 1 0 307.415 2.981 20 10 DFCDRO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(OC)ccc1O ZINC000245923143 426783370 /nfs/dbraw/zinc/78/33/70/426783370.db2.gz YGNJPCITBDESDA-WQVCFCJDSA-N 1 0 319.401 2.707 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1OC ZINC000245545645 426750209 /nfs/dbraw/zinc/75/02/09/426750209.db2.gz UGODZCHMQWDEEF-KBXCAEBGSA-N 1 0 321.417 2.536 20 10 DFCDRO Oc1ccccc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000179556872 426800594 /nfs/dbraw/zinc/80/05/94/426800594.db2.gz AFXHRESFXRTFMC-UHFFFAOYSA-N 1 0 303.793 2.763 20 10 DFCDRO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179557610 426802429 /nfs/dbraw/zinc/80/24/29/426802429.db2.gz WJTPNHDPXFTPEG-AWEZNQCLSA-N 1 0 306.406 2.881 20 10 DFCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000290629025 426809623 /nfs/dbraw/zinc/80/96/23/426809623.db2.gz XVYPMUUSJRHGRL-CYBMUJFWSA-N 1 0 315.373 2.798 20 10 DFCDRO COC(=O)c1cnc(SCC[C@H]2CCCC[N@@H+]2C)s1 ZINC000295157933 426843688 /nfs/dbraw/zinc/84/36/88/426843688.db2.gz GHEDUHDCZATVNH-SNVBAGLBSA-N 1 0 300.449 2.896 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@H]3CCO[C@@]4(CCSC4)C3)ccc21 ZINC000246674818 426854138 /nfs/dbraw/zinc/85/41/38/426854138.db2.gz LNOYCBQVMGXWMU-WMZOPIPTSA-N 1 0 318.486 2.823 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cc2c(cc1O)CCCC2 ZINC000282455988 426915854 /nfs/dbraw/zinc/91/58/54/426915854.db2.gz VIGFOSPLNMCGKY-OZVIIMIRSA-N 1 0 302.418 2.589 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(O)c1 ZINC000246856635 426873164 /nfs/dbraw/zinc/87/31/64/426873164.db2.gz SHPRJXDXHHDWQA-NVXWUHKLSA-N 1 0 323.458 2.887 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000291001143 426873619 /nfs/dbraw/zinc/87/36/19/426873619.db2.gz AWWOIMMGTJZYEJ-PKOBYXMFSA-N 1 0 313.397 2.657 20 10 DFCDRO CC(=O)c1cc(F)cc(CN(C)[C@H](CO)c2ccccc2)c1O ZINC000267487081 426883888 /nfs/dbraw/zinc/88/38/88/426883888.db2.gz LRFLMBRXJLDJMN-QGZVFWFLSA-N 1 0 317.360 2.899 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1O ZINC000247018058 426890843 /nfs/dbraw/zinc/89/08/43/426890843.db2.gz ZIUBTEKAPQXKBD-BLLLJJGKSA-N 1 0 307.365 2.735 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1OC ZINC000291503096 426900539 /nfs/dbraw/zinc/90/05/39/426900539.db2.gz HPNUNXKHLNZYDW-YOEHRIQHSA-N 1 0 321.417 2.799 20 10 DFCDRO COc1cccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1O ZINC000282410512 426903718 /nfs/dbraw/zinc/90/37/18/426903718.db2.gz QEWNQTXEPKDDEH-LJQANCHMSA-N 1 0 313.397 2.715 20 10 DFCDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000282441536 426912013 /nfs/dbraw/zinc/91/20/13/426912013.db2.gz ZLBNBHQNFBOBNF-IEBWSBKVSA-N 1 0 318.461 2.818 20 10 DFCDRO Cc1cc(N2CCC([NH2+]Cc3c(O)cccc3Cl)CC2)n[nH]1 ZINC000275967975 426956557 /nfs/dbraw/zinc/95/65/57/426956557.db2.gz HCDMICACQCNYBE-UHFFFAOYSA-N 1 0 320.824 2.836 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c(O)c1 ZINC000319803969 426963611 /nfs/dbraw/zinc/96/36/11/426963611.db2.gz HUSZMLBAVPSPCA-CZUORRHYSA-N 1 0 315.417 2.618 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1nnc3n1CCCCC3)CC2 ZINC000295933620 427020664 /nfs/dbraw/zinc/02/06/64/427020664.db2.gz KMHBCKKMJHIWFA-AWEZNQCLSA-N 1 0 312.417 2.530 20 10 DFCDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000291912100 427022372 /nfs/dbraw/zinc/02/23/72/427022372.db2.gz MYGXAQZWEQCSPB-CABCVRRESA-N 1 0 303.450 2.852 20 10 DFCDRO CN(C)c1ccc(C[NH2+]Cc2cnnn2Cc2ccccc2)cc1 ZINC000291952381 427038049 /nfs/dbraw/zinc/03/80/49/427038049.db2.gz OKAPZOKLHSYVQR-UHFFFAOYSA-N 1 0 321.428 2.682 20 10 DFCDRO Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296006854 427043793 /nfs/dbraw/zinc/04/37/93/427043793.db2.gz ORJVCGUVEHNVMF-MRXNPFEDSA-N 1 0 310.397 2.708 20 10 DFCDRO CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296080804 427068178 /nfs/dbraw/zinc/06/81/78/427068178.db2.gz SNHXKMDIBQFBJI-MRXNPFEDSA-N 1 0 310.397 2.628 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]CCn1cc(Br)cn1)CC2 ZINC000296248029 427124974 /nfs/dbraw/zinc/12/49/74/427124974.db2.gz BDHMKIRNEUDWKV-GFCCVEGCSA-N 1 0 322.206 2.628 20 10 DFCDRO COC[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000268841155 427135080 /nfs/dbraw/zinc/13/50/80/427135080.db2.gz IDCONWBBOFARCG-BFHYXJOUSA-N 1 0 310.413 2.564 20 10 DFCDRO COC[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268841158 427135248 /nfs/dbraw/zinc/13/52/48/427135248.db2.gz IDCONWBBOFARCG-MELADBBJSA-N 1 0 310.413 2.564 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)n1-c1ccccc1 ZINC000292838008 427200716 /nfs/dbraw/zinc/20/07/16/427200716.db2.gz CAAACOQCQGACQS-QFBILLFUSA-N 1 0 323.440 2.918 20 10 DFCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)nc(N2CCCC2)n1 ZINC000292897860 427204743 /nfs/dbraw/zinc/20/47/43/427204743.db2.gz ZQGDDOQNMOLBHU-UHFFFAOYSA-N 1 0 324.428 2.610 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1O ZINC000292877727 427205730 /nfs/dbraw/zinc/20/57/30/427205730.db2.gz XQYDHSMOTQPXPA-HNNXBMFYSA-N 1 0 307.365 2.613 20 10 DFCDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000183215985 427224243 /nfs/dbraw/zinc/22/42/43/427224243.db2.gz GIRJZUHTQXWAOW-INIZCTEOSA-N 1 0 305.466 2.956 20 10 DFCDRO COCCOC1(C[NH2+][C@@H](C)c2ccc(C)cc2O)CCOCC1 ZINC000296617340 427228525 /nfs/dbraw/zinc/22/85/25/427228525.db2.gz WQVNBTKEFDJILB-HNNXBMFYSA-N 1 0 323.433 2.563 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCO[C@H](C(C)C)C2)c1O ZINC000293191380 427240056 /nfs/dbraw/zinc/24/00/56/427240056.db2.gz QGOMKYKYCYWOOO-INIZCTEOSA-N 1 0 309.381 2.981 20 10 DFCDRO C[C@H]([NH2+]CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000183394032 427259993 /nfs/dbraw/zinc/25/99/93/427259993.db2.gz XMQIHJGFDMYIFM-KKUMJFAQSA-N 1 0 306.450 2.931 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1O ZINC000269810967 427280809 /nfs/dbraw/zinc/28/08/09/427280809.db2.gz OTGBFGYRNURKFP-QMTHXVAHSA-N 1 0 311.809 2.984 20 10 DFCDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183606309 427300899 /nfs/dbraw/zinc/30/08/99/427300899.db2.gz ISZYBLYPFMBRHD-ZDUSSCGKSA-N 1 0 315.369 2.795 20 10 DFCDRO Oc1cc2c(cc1C[N@H+]1CC=C(C(F)(F)F)CC1)OCO2 ZINC000270146449 427320927 /nfs/dbraw/zinc/32/09/27/427320927.db2.gz QHAGBLZMEAFDIW-UHFFFAOYSA-N 1 0 301.264 2.815 20 10 DFCDRO CCOCC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000278109188 427409110 /nfs/dbraw/zinc/40/91/10/427409110.db2.gz KVCSYQHUDNIRSZ-LJQANCHMSA-N 1 0 320.477 2.896 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)(F)F)c1O ZINC000270863275 427365928 /nfs/dbraw/zinc/36/59/28/427365928.db2.gz DQXFROYIRMIRCF-GXFFZTMASA-N 1 0 307.312 2.582 20 10 DFCDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000278784908 427453737 /nfs/dbraw/zinc/45/37/37/427453737.db2.gz ZPTSDQGBICXDJJ-LIRRHRJNSA-N 1 0 313.397 2.689 20 10 DFCDRO C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(F)ccc1O ZINC000278814865 427462916 /nfs/dbraw/zinc/46/29/16/427462916.db2.gz ZUZKSFDYOZFXHZ-KGLIPLIRSA-N 1 0 310.413 2.683 20 10 DFCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000278315806 427428226 /nfs/dbraw/zinc/42/82/26/427428226.db2.gz FOZHIFFKLHTFDA-NOZJJQNGSA-N 1 0 307.287 2.667 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000278294596 427428244 /nfs/dbraw/zinc/42/82/44/427428244.db2.gz VHTLANIZLRKCQF-CYBMUJFWSA-N 1 0 317.345 2.974 20 10 DFCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC000271182940 427437117 /nfs/dbraw/zinc/43/71/17/427437117.db2.gz LQZKRURMLWNLJV-MRXNPFEDSA-N 1 0 302.418 2.528 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c(O)c1 ZINC000278426948 427440303 /nfs/dbraw/zinc/44/03/03/427440303.db2.gz JBZDEJNFKZYZNB-HUUCEWRRSA-N 1 0 314.433 2.754 20 10 DFCDRO CCSCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278541075 427442854 /nfs/dbraw/zinc/44/28/54/427442854.db2.gz XHZKLWKZRFFDMR-JTQLQIEISA-N 1 0 314.407 2.930 20 10 DFCDRO COc1c(O)c(C[N@H+](C)[C@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000278508629 427443993 /nfs/dbraw/zinc/44/39/93/427443993.db2.gz PKFVHGNIHKYFNA-LLVKDONJSA-N 1 0 317.345 2.897 20 10 DFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278479991 427444091 /nfs/dbraw/zinc/44/40/91/427444091.db2.gz RUSMRSSZZYUDEI-GOSISDBHSA-N 1 0 315.461 2.728 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](COC)[C@@H]2CCCO2)cc1 ZINC000278575973 427445717 /nfs/dbraw/zinc/44/57/17/427445717.db2.gz FEDIOTLYPYLBNW-ROUUACIJSA-N 1 0 306.450 2.816 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2cncn2C)C1)c1cc(F)ccc1O ZINC000278938127 427508712 /nfs/dbraw/zinc/50/87/12/427508712.db2.gz JZAPTYOYSYIMST-BNLOLNQZSA-N 1 0 319.380 2.836 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]CCC(=O)OC(C)(C)C)c1O ZINC000184709242 427524005 /nfs/dbraw/zinc/52/40/05/427524005.db2.gz NYDVQWKPPBUNDQ-UHFFFAOYSA-N 1 0 315.797 2.876 20 10 DFCDRO Cc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)ccc1N(C)C ZINC000294029197 427525901 /nfs/dbraw/zinc/52/59/01/427525901.db2.gz HXVHAIKWESBVEA-TXPKVOOTSA-N 1 0 318.461 2.829 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1 ZINC000184915346 427563594 /nfs/dbraw/zinc/56/35/94/427563594.db2.gz PRIAIHOGZWBDMS-RDJZCZTQSA-N 1 0 306.450 2.708 20 10 DFCDRO CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)N1CCOCC1 ZINC000184915915 427563647 /nfs/dbraw/zinc/56/36/47/427563647.db2.gz OWMLXCBOXRKMKG-CZUORRHYSA-N 1 0 310.413 2.539 20 10 DFCDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000184949219 427565814 /nfs/dbraw/zinc/56/58/14/427565814.db2.gz VTAPUYIUVZNXPI-PIGZYNQJSA-N 1 0 305.349 2.924 20 10 DFCDRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184981452 427571925 /nfs/dbraw/zinc/57/19/25/427571925.db2.gz XISCUPLRYZQRMS-ZDUSSCGKSA-N 1 0 304.434 2.836 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc2c(cc1O)CCCC2 ZINC000184982277 427573191 /nfs/dbraw/zinc/57/31/91/427573191.db2.gz SIUMLFOMODFIBR-LRDDRELGSA-N 1 0 302.418 2.590 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(NC(C)=O)nc2)c1 ZINC000279173588 427584018 /nfs/dbraw/zinc/58/40/18/427584018.db2.gz UZEWDCOICWHTCY-LLVKDONJSA-N 1 0 315.373 2.605 20 10 DFCDRO CCOC(=O)CC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000271746623 427583926 /nfs/dbraw/zinc/58/39/26/427583926.db2.gz SXILKTUKKCZCDY-UHFFFAOYSA-N 1 0 307.390 2.566 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000271771985 427586201 /nfs/dbraw/zinc/58/62/01/427586201.db2.gz DJJKQTCMKAQFAG-DIFFPNOSSA-N 1 0 305.349 2.924 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c1 ZINC000271867073 427591322 /nfs/dbraw/zinc/59/13/22/427591322.db2.gz WIUPXEZYFRNHQT-QGZVFWFLSA-N 1 0 305.374 2.608 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1 ZINC000271873095 427593747 /nfs/dbraw/zinc/59/37/47/427593747.db2.gz YJHUXGYSEXDZPE-KRWDZBQOSA-N 1 0 323.339 2.676 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000185127646 427600218 /nfs/dbraw/zinc/60/02/18/427600218.db2.gz RXWOBUUUQQWZBE-DZGCQCFKSA-N 1 0 319.376 2.930 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)cc1 ZINC000271996659 427605034 /nfs/dbraw/zinc/60/50/34/427605034.db2.gz SBYIMNZNAYJJEF-QGZVFWFLSA-N 1 0 303.450 2.667 20 10 DFCDRO CCN(C)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185167710 427606344 /nfs/dbraw/zinc/60/63/44/427606344.db2.gz VKXICSQJNRFAQK-SNVBAGLBSA-N 1 0 301.228 2.757 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c1 ZINC000192939169 427637569 /nfs/dbraw/zinc/63/75/69/427637569.db2.gz NNZPQZNTGHEWRW-HIFRSBDPSA-N 1 0 309.406 2.637 20 10 DFCDRO C[N@H+](Cc1ccccc1O)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000294937354 427665612 /nfs/dbraw/zinc/66/56/12/427665612.db2.gz GPNITVMJEJDHMK-UHFFFAOYSA-N 1 0 306.406 2.880 20 10 DFCDRO Cc1cnccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000294540644 427646028 /nfs/dbraw/zinc/64/60/28/427646028.db2.gz ITNGIXGGGIZWMG-UHFFFAOYSA-N 1 0 311.429 2.859 20 10 DFCDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185420004 427649440 /nfs/dbraw/zinc/64/94/40/427649440.db2.gz DDQHJVCQGPJVKQ-PIGZYNQJSA-N 1 0 305.349 2.924 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c(O)c1 ZINC000185444286 427654482 /nfs/dbraw/zinc/65/44/82/427654482.db2.gz UTTTXXSPBNFNKP-AWEZNQCLSA-N 1 0 304.434 3.000 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1 ZINC000294764328 427656793 /nfs/dbraw/zinc/65/67/93/427656793.db2.gz JKDMNJIWFQYMOV-QGZVFWFLSA-N 1 0 301.386 2.748 20 10 DFCDRO CC(=O)Nc1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)cn1 ZINC000279461673 427679500 /nfs/dbraw/zinc/67/95/00/427679500.db2.gz UKEKEGPIXHTVDQ-UHFFFAOYSA-N 1 0 319.792 2.997 20 10 DFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)CN1 ZINC000279487964 427685620 /nfs/dbraw/zinc/68/56/20/427685620.db2.gz UQENRZDWVMWHKO-FQEVSTJZSA-N 1 0 322.408 2.771 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Br)ccc1O ZINC000185829677 427715287 /nfs/dbraw/zinc/71/52/87/427715287.db2.gz BEIZWUUFMBJSAX-JFGNBEQYSA-N 1 0 312.207 2.742 20 10 DFCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185866975 427720226 /nfs/dbraw/zinc/72/02/26/427720226.db2.gz JZXDPRDKRFOUEM-GFCCVEGCSA-N 1 0 303.406 2.856 20 10 DFCDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccc(F)cc1 ZINC000299161472 427756955 /nfs/dbraw/zinc/75/69/55/427756955.db2.gz LENJRLUDLFGZOC-INIZCTEOSA-N 1 0 315.388 2.701 20 10 DFCDRO CC[N@H+](CCCO)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000299364121 427766193 /nfs/dbraw/zinc/76/61/93/427766193.db2.gz XASWSFJKEOJDOY-UHFFFAOYSA-N 1 0 306.450 2.506 20 10 DFCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186029721 427742120 /nfs/dbraw/zinc/74/21/20/427742120.db2.gz SVXXEAKVIDGOOM-UWVGGRQHSA-N 1 0 305.827 2.519 20 10 DFCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000186029749 427742606 /nfs/dbraw/zinc/74/26/06/427742606.db2.gz SVXXEAKVIDGOOM-VHSXEESVSA-N 1 0 305.827 2.519 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1O ZINC000186051569 427743689 /nfs/dbraw/zinc/74/36/89/427743689.db2.gz ZFLCEOAYXHCKMJ-JSGCOSHPSA-N 1 0 316.380 2.641 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CC3(O)CCCCC3)CC2)cc1 ZINC000304083963 427915971 /nfs/dbraw/zinc/91/59/71/427915971.db2.gz ZEVQQOMYLYOPCF-UHFFFAOYSA-N 1 0 318.461 2.949 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)c1O ZINC000369540903 427994101 /nfs/dbraw/zinc/99/41/01/427994101.db2.gz LKYJAIFMWNKQBS-QAPCUYQASA-N 1 0 321.417 2.561 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000370212096 428156913 /nfs/dbraw/zinc/15/69/13/428156913.db2.gz HBQXJYMEXCTUHH-GOEBONIOSA-N 1 0 300.406 2.847 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c1O ZINC000370367560 428194652 /nfs/dbraw/zinc/19/46/52/428194652.db2.gz PTBBHCPHWLDUAA-INIZCTEOSA-N 1 0 302.418 2.678 20 10 DFCDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cccc(C)c2O)n1 ZINC000371422957 428389835 /nfs/dbraw/zinc/38/98/35/428389835.db2.gz ASBIZAHCBJLGSL-INIZCTEOSA-N 1 0 300.406 2.574 20 10 DFCDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc(Cl)ccc1O ZINC000371471468 428392277 /nfs/dbraw/zinc/39/22/77/428392277.db2.gz UQKOMSYHSRIHRD-BFYDXBDKSA-N 1 0 324.852 2.729 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064294 428412432 /nfs/dbraw/zinc/41/24/32/428412432.db2.gz BAEFRTKKOIQBHE-FHWLQOOXSA-N 1 0 317.477 2.657 20 10 DFCDRO CN1CCc2cc(C[NH2+]C[C@]3(C)CCO[C@H]3C3CC3)ccc21 ZINC000372069326 428413033 /nfs/dbraw/zinc/41/30/33/428413033.db2.gz YLHYBPHGNJNYAR-OALUTQOASA-N 1 0 300.446 2.974 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cc1 ZINC000372417779 428447745 /nfs/dbraw/zinc/44/77/45/428447745.db2.gz XTXPUZIAMJWPAH-GOSISDBHSA-N 1 0 315.461 2.730 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CN2CCCC[C@H]2CO1)c1ccccc1O ZINC000372801737 428504353 /nfs/dbraw/zinc/50/43/53/428504353.db2.gz MBNCMLVBJVGCMM-UXLLHSPISA-N 1 0 304.434 2.686 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@@]2(CCCOC2)O1 ZINC000373470954 428585467 /nfs/dbraw/zinc/58/54/67/428585467.db2.gz UYRJKEOYZOUNQP-SJLPKXTDSA-N 1 0 305.418 2.861 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@@]2(CCOC2)O1 ZINC000373492688 428590233 /nfs/dbraw/zinc/59/02/33/428590233.db2.gz FOPGJLJWRPFJNZ-FUHWJXTLSA-N 1 0 305.418 2.779 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@]2(CCOC2)O1 ZINC000373492687 428591188 /nfs/dbraw/zinc/59/11/88/428591188.db2.gz FOPGJLJWRPFJNZ-AEFFLSMTSA-N 1 0 305.418 2.779 20 10 DFCDRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccccc2O)CCO1 ZINC000298580382 274365876 /nfs/dbraw/zinc/36/58/76/274365876.db2.gz XSBKSXLSUBVKAI-OAHLLOKOSA-N 1 0 312.413 2.907 20 10 DFCDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2O)CN1 ZINC000362336567 428709000 /nfs/dbraw/zinc/70/90/00/428709000.db2.gz PBEPFSGROKZZLQ-FZMZJTMJSA-N 1 0 308.809 2.536 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(N(C)C)cc1 ZINC000374525998 428694455 /nfs/dbraw/zinc/69/44/55/428694455.db2.gz DIMCVSSKDADOFR-ZVZYQTTQSA-N 1 0 304.434 2.741 20 10 DFCDRO C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(F)ccc1O ZINC000363868439 429131725 /nfs/dbraw/zinc/13/17/25/429131725.db2.gz SCLMLLAIQKZYDU-GFCCVEGCSA-N 1 0 312.348 2.963 20 10 DFCDRO O=C(/C=C/c1cnccn1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000491871490 429425503 /nfs/dbraw/zinc/42/55/03/429425503.db2.gz QOADPXOCACUAPZ-CMDGGOBGSA-N 1 0 322.412 2.619 20 10 DFCDRO O=C(/C=C\c1cnccn1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000491871491 429426053 /nfs/dbraw/zinc/42/60/53/429426053.db2.gz QOADPXOCACUAPZ-HJWRWDBZSA-N 1 0 322.412 2.619 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCn3ccnc3C2)c1O ZINC000366741232 429505244 /nfs/dbraw/zinc/50/52/44/429505244.db2.gz AZGCSMSTENVWKG-LBPRGKRZSA-N 1 0 305.809 2.903 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000367307231 429617161 /nfs/dbraw/zinc/61/71/61/429617161.db2.gz GAAZRUWWIFFDLJ-MRXNPFEDSA-N 1 0 302.418 2.788 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCN(C)[C@@H](c2ncc[nH]2)C1 ZINC000367306855 429617349 /nfs/dbraw/zinc/61/73/49/429617349.db2.gz BBPLZUGDALBEPY-LSDHHAIUSA-N 1 0 300.406 2.555 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]Cc2cnc3n2CCCC3)c1O ZINC000367438729 429647914 /nfs/dbraw/zinc/64/79/14/429647914.db2.gz OVYWCAIXMCQGNA-UHFFFAOYSA-N 1 0 321.808 2.877 20 10 DFCDRO CN1C(=O)CC[C@H]([NH2+]Cc2ccccc2O)[C@@H]1c1cccs1 ZINC000367546158 429669538 /nfs/dbraw/zinc/66/95/38/429669538.db2.gz DBQPSJYXQJBQEX-SUMWQHHRSA-N 1 0 316.426 2.905 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C23CCC3)cc1OC ZINC000368033588 429772545 /nfs/dbraw/zinc/77/25/45/429772545.db2.gz GTIALFLKLRGMNK-JECHBYEQSA-N 1 0 321.417 2.703 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@H]3CCCC[C@H]32)cc1 ZINC000368091196 429784739 /nfs/dbraw/zinc/78/47/39/429784739.db2.gz VVHGSHRMPWZYSR-SJLPKXTDSA-N 1 0 315.461 2.585 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(O)c1C ZINC000368334947 429830907 /nfs/dbraw/zinc/83/09/07/429830907.db2.gz XFOFCPVXMICYLZ-ZIEJDFEHSA-N 1 0 302.418 2.669 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c(O)c1C ZINC000368325008 429831139 /nfs/dbraw/zinc/83/11/39/429831139.db2.gz WPVCWTXXWAVNEF-JYJNAYRXSA-N 1 0 304.434 2.523 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)c1 ZINC000528001319 429834375 /nfs/dbraw/zinc/83/43/75/429834375.db2.gz OZPKNAATFOFUDG-ZBEGNZNMSA-N 1 0 312.369 2.615 20 10 DFCDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000528004546 429836153 /nfs/dbraw/zinc/83/61/53/429836153.db2.gz RTCHSYKDSXZAPY-HOTGVXAUSA-N 1 0 308.381 2.796 20 10 DFCDRO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(Br)cc1O ZINC000528017940 429836447 /nfs/dbraw/zinc/83/64/47/429836447.db2.gz JIKJKHGCQDOLNI-FKTRJACZSA-N 1 0 300.196 2.576 20 10 DFCDRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2O)CC(=O)N1Cc1ccccc1 ZINC000368558925 429867241 /nfs/dbraw/zinc/86/72/41/429867241.db2.gz YURCMIZJCAJBDV-YOEHRIQHSA-N 1 0 310.397 2.671 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000368823806 429896590 /nfs/dbraw/zinc/89/65/90/429896590.db2.gz JGRUVQWOLYSHDV-KBPBESRZSA-N 1 0 314.433 2.829 20 10 DFCDRO CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(C)cc1O ZINC000369148513 429916025 /nfs/dbraw/zinc/91/60/25/429916025.db2.gz UVUSFXZZOMMVKM-INIZCTEOSA-N 1 0 323.400 2.917 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1C ZINC000369377395 429935059 /nfs/dbraw/zinc/93/50/59/429935059.db2.gz ALESPYWWIDANAK-HDMKZQKVSA-N 1 0 305.418 2.777 20 10 DFCDRO CN(C(=O)C1=CC[C@@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000637980433 430194644 /nfs/dbraw/zinc/19/46/44/430194644.db2.gz KFXNKONZIAMAIM-SNVBAGLBSA-N 1 0 300.280 2.596 20 10 DFCDRO Cn1cccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000153232064 279369046 /nfs/dbraw/zinc/36/90/46/279369046.db2.gz DCIISAZVJQCHHW-QGZVFWFLSA-N 1 0 300.402 2.912 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)c1 ZINC000273614539 295167534 /nfs/dbraw/zinc/16/75/34/295167534.db2.gz WXZQZBVPCUCSIE-SNVBAGLBSA-N 1 0 306.328 2.546 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1O ZINC000128203781 332010499 /nfs/dbraw/zinc/01/04/99/332010499.db2.gz RGGIDXCLQGTJDU-KDOFPFPSSA-N 1 0 321.392 2.861 20 10 DFCDRO CCCOc1ccc(C[NH+]2CCC(N(C)C(C)=O)CC2)c(O)c1 ZINC000092538692 332128069 /nfs/dbraw/zinc/12/80/69/332128069.db2.gz 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CCOc1ccc(O)c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1 ZINC000295160613 335132869 /nfs/dbraw/zinc/13/28/69/335132869.db2.gz SERPOORNKKUJQL-MRXNPFEDSA-N 1 0 319.376 2.623 20 10 DFCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184677907 333363651 /nfs/dbraw/zinc/36/36/51/333363651.db2.gz DHVKDBSOLBGWGW-CQSZACIVSA-N 1 0 312.841 2.970 20 10 DFCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@@H](C)O1 ZINC000296517749 335146008 /nfs/dbraw/zinc/14/60/08/335146008.db2.gz RVXNOXLECPIFDW-SPYBWZPUSA-N 1 0 318.461 2.551 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c(O)c1 ZINC000297267940 335152330 /nfs/dbraw/zinc/15/23/30/335152330.db2.gz KMXBYRDCFIZTFG-HZPDHXFCSA-N 1 0 306.450 2.506 20 10 DFCDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2)[nH]c1C ZINC000294866596 334213855 /nfs/dbraw/zinc/21/38/55/334213855.db2.gz WINCWKSDRKQKFM-UHFFFAOYSA-N 1 0 315.417 2.856 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](C(C)C)C3COC3)cc2)CC1 ZINC000295425992 334223102 /nfs/dbraw/zinc/22/31/02/334223102.db2.gz NUUOXGIZLCAPGV-UHFFFAOYSA-N 1 0 318.461 2.911 20 10 DFCDRO CCC[N@H+](CC(=O)Nc1cc(C)no1)Cc1ccccc1O ZINC000299641614 334256628 /nfs/dbraw/zinc/25/66/28/334256628.db2.gz NBISMXIYLFBBNJ-UHFFFAOYSA-N 1 0 303.362 2.539 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c1O ZINC000366927050 335372665 /nfs/dbraw/zinc/37/26/65/335372665.db2.gz VKJVZOYVKPRWGS-ZFWWWQNUSA-N 1 0 308.809 2.501 20 10 DFCDRO CC[NH+](CC)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000349136743 335638958 /nfs/dbraw/zinc/63/89/58/335638958.db2.gz UJDUPKUUJPFTRR-UHFFFAOYSA-N 1 0 316.449 2.628 20 10 DFCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352110450 336195276 /nfs/dbraw/zinc/19/52/76/336195276.db2.gz CQMVJKHSSSJBHJ-QGZVFWFLSA-N 1 0 313.445 2.977 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(O)c1 ZINC000192810111 336263944 /nfs/dbraw/zinc/26/39/44/336263944.db2.gz VYFJJEGKLJMLOK-LSDHHAIUSA-N 1 0 312.417 2.810 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c(C)n1-c1ccccc1 ZINC000368374499 336843337 /nfs/dbraw/zinc/84/33/37/336843337.db2.gz IGRZYBIZBXTEBS-MAUKXSAKSA-N 1 0 309.413 2.528 20 10 DFCDRO C[C@H]1[C@H]([NH2+]Cc2ccccc2O)CC(=O)N1Cc1ccccc1 ZINC000368558924 336847657 /nfs/dbraw/zinc/84/76/57/336847657.db2.gz YURCMIZJCAJBDV-WMLDXEAASA-N 1 0 310.397 2.671 20 10 DFCDRO CCn1cnnc1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000371536150 336907403 /nfs/dbraw/zinc/90/74/03/336907403.db2.gz TYTLHYFFZIYQIN-UHFFFAOYSA-N 1 0 304.369 2.522 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(c3ccncn3)C2)cc1C ZINC000374141161 336982213 /nfs/dbraw/zinc/98/22/13/336982213.db2.gz DTBSHMHIGFGRHA-INIZCTEOSA-N 1 0 312.417 2.558 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000374284558 336985990 /nfs/dbraw/zinc/98/59/90/336985990.db2.gz AHYOFXOEODTFIF-IEBWSBKVSA-N 1 0 318.461 2.961 20 10 DFCDRO CN(C(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2)C1CC1 ZINC000374789428 336997068 /nfs/dbraw/zinc/99/70/68/336997068.db2.gz VREBVYICMHXQGO-INIZCTEOSA-N 1 0 314.429 2.615 20 10 DFCDRO COC[C@H]1CCCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000375100934 337003309 /nfs/dbraw/zinc/00/33/09/337003309.db2.gz PMAVTZCCXPWWEQ-ZDUSSCGKSA-N 1 0 309.406 2.658 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(C)cc1O ZINC000375651563 337015629 /nfs/dbraw/zinc/01/56/29/337015629.db2.gz YUCBKHKKOHMEJJ-YOEHRIQHSA-N 1 0 314.433 2.754 20 10 DFCDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000375862058 337021684 /nfs/dbraw/zinc/02/16/84/337021684.db2.gz SCWHQSQLLUPFQG-ROUUACIJSA-N 1 0 316.445 2.984 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1O ZINC000376003569 337025002 /nfs/dbraw/zinc/02/50/02/337025002.db2.gz MZITZDRQURNNLX-KFWWJZLASA-N 1 0 302.418 2.834 20 10 DFCDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000376041949 337025854 /nfs/dbraw/zinc/02/58/54/337025854.db2.gz JGZUZGAIAMJJQI-AWEZNQCLSA-N 1 0 320.824 2.538 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000376122395 337027653 /nfs/dbraw/zinc/02/76/53/337027653.db2.gz HYKYQXPTVZHOME-JKSUJKDBSA-N 1 0 318.461 2.926 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccncn2)C1)c1ccccc1O ZINC000376323012 337031390 /nfs/dbraw/zinc/03/13/90/337031390.db2.gz SKBZWRAIARIONQ-GOEBONIOSA-N 1 0 312.417 2.892 20 10 DFCDRO COc1cccc(C[NH+]2CCC(Nc3cccnc3)CC2)c1O ZINC000377634061 337056950 /nfs/dbraw/zinc/05/69/50/337056950.db2.gz YJZBEHLAMKGUOR-UHFFFAOYSA-N 1 0 313.401 2.872 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000377684883 337058378 /nfs/dbraw/zinc/05/83/78/337058378.db2.gz YPFCSYKDVVQCEZ-MAUKXSAKSA-N 1 0 302.418 2.788 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1O ZINC000377882095 337063179 /nfs/dbraw/zinc/06/31/79/337063179.db2.gz CPLCGAQGYAACPN-LLVKDONJSA-N 1 0 321.808 2.777 20 10 DFCDRO CN1CCc2cc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)ccc21 ZINC000378250849 337068756 /nfs/dbraw/zinc/06/87/56/337068756.db2.gz UWKOGLBJRVMQOC-UHFFFAOYSA-N 1 0 308.385 2.952 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1N1CCOCC1 ZINC000378341811 337070359 /nfs/dbraw/zinc/07/03/59/337070359.db2.gz MDRWQJIEIQHOES-CZUORRHYSA-N 1 0 324.852 2.588 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CCC[C@@H](C)CO)CC2)cc1 ZINC000378407108 337072065 /nfs/dbraw/zinc/07/20/65/337072065.db2.gz WOCWHRVIKLHNSV-OAHLLOKOSA-N 1 0 306.450 2.662 20 10 DFCDRO O=C([C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1)N1CCCCC1 ZINC000378493862 337074389 /nfs/dbraw/zinc/07/43/89/337074389.db2.gz JBJHAOAEMWJEQJ-CQSZACIVSA-N 1 0 320.408 2.756 20 10 DFCDRO Cc1nnc([C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)[nH]1 ZINC000180107944 337171509 /nfs/dbraw/zinc/17/15/09/337171509.db2.gz UPXUUUIMNTZRSF-QGZVFWFLSA-N 1 0 324.384 2.545 20 10 DFCDRO CCOC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000179747375 337171598 /nfs/dbraw/zinc/17/15/98/337171598.db2.gz CENABGRGDOWYFT-UHFFFAOYSA-N 1 0 312.797 2.710 20 10 DFCDRO CCN1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000226036239 337196271 /nfs/dbraw/zinc/19/62/71/337196271.db2.gz DKFJXJNWEUKGKD-ZDUSSCGKSA-N 1 0 313.239 2.729 20 10 DFCDRO COc1cccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c1O ZINC000184803351 337200327 /nfs/dbraw/zinc/20/03/27/337200327.db2.gz QTFHTEXMBOOEGQ-UHFFFAOYSA-N 1 0 313.401 2.508 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)c1 ZINC000185025356 337201396 /nfs/dbraw/zinc/20/13/96/337201396.db2.gz SCVSBZRNOLGNPG-CYBMUJFWSA-N 1 0 309.373 2.527 20 10 DFCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CC[C@H](C)O3)CC2)cc1 ZINC000188571875 337274051 /nfs/dbraw/zinc/27/40/51/337274051.db2.gz XDHQBEGDYJOMIB-YJBOKZPZSA-N 1 0 304.434 2.775 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)c1O ZINC000191908628 337301202 /nfs/dbraw/zinc/30/12/02/337301202.db2.gz UXVBFCKFMLTLEQ-UHFFFAOYSA-N 1 0 316.405 2.529 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000120297639 337395698 /nfs/dbraw/zinc/39/56/98/337395698.db2.gz FOHDPVBZFHPCSW-UHFFFAOYSA-N 1 0 318.808 2.912 20 10 DFCDRO C[NH2+][C@H](C)Cc1noc(-c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000261625816 337606738 /nfs/dbraw/zinc/60/67/38/337606738.db2.gz CCRDNOJFVRJUMM-LLVKDONJSA-N 1 0 311.389 2.690 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000092661173 337906889 /nfs/dbraw/zinc/90/68/89/337906889.db2.gz MUSPAXPFAPBXON-LJQANCHMSA-N 1 0 318.461 2.913 20 10 DFCDRO CCn1cc(C2CC[NH+](Cc3cccc(OC)c3O)CC2)cn1 ZINC000092809304 337909159 /nfs/dbraw/zinc/90/91/59/337909159.db2.gz RCVWAYKQZHHQCT-UHFFFAOYSA-N 1 0 315.417 2.997 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@@H+](C)C(C)C ZINC000471804930 339354649 /nfs/dbraw/zinc/35/46/49/339354649.db2.gz PLMDUQLQMUCYKZ-UHFFFAOYSA-N 1 0 316.449 2.626 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)c1O ZINC000251710650 341419420 /nfs/dbraw/zinc/41/94/20/341419420.db2.gz JJZVPZZNOIMQNH-MEBBXXQBSA-N 1 0 310.825 2.630 20 10 DFCDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccccc3O)C2)nc(C)n1 ZINC000360097002 500659299 /nfs/dbraw/zinc/65/92/99/500659299.db2.gz WIQHINFSVAJWPM-INIZCTEOSA-N 1 0 312.417 2.558 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@H](O)c2ccc(C)cc2)cc1OC ZINC000278583986 518139550 /nfs/dbraw/zinc/13/95/50/518139550.db2.gz DJNKKFCHPUXZRU-INIZCTEOSA-N 1 0 317.385 2.541 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[N@@H+](C(C)C)CC2)c1O ZINC000267473973 518284354 /nfs/dbraw/zinc/28/43/54/518284354.db2.gz ZYSWUURXKFIPHU-UHFFFAOYSA-N 1 0 308.397 2.650 20 10 DFCDRO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158078998 519876569 /nfs/dbraw/zinc/87/65/69/519876569.db2.gz JKLRHMQILUVXBP-AWEZNQCLSA-N 1 0 310.825 2.926 20 10 DFCDRO CC[N@H+](C)[C@@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000236885856 520270081 /nfs/dbraw/zinc/27/00/81/520270081.db2.gz HWMYOPFDYGJLPF-GOSISDBHSA-N 1 0 311.429 2.621 20 10 DFCDRO CCCOc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC000156061946 520351952 /nfs/dbraw/zinc/35/19/52/520351952.db2.gz KTWOEBHMEOJHBD-CVEARBPZSA-N 1 0 304.434 2.850 20 10 DFCDRO CCCCNC(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179934010 520607136 /nfs/dbraw/zinc/60/71/36/520607136.db2.gz AYUIALPIGRLWRA-UHFFFAOYSA-N 1 0 308.397 2.660 20 10 DFCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)OC)CC2)cc1 ZINC000159235081 520892252 /nfs/dbraw/zinc/89/22/52/520892252.db2.gz CTWMIDGGYPVTFL-UHFFFAOYSA-N 1 0 304.434 2.918 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000236913148 520902596 /nfs/dbraw/zinc/90/25/96/520902596.db2.gz PERKWRNDSZSHPT-GJZGRUSLSA-N 1 0 321.440 2.806 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000167859476 521040690 /nfs/dbraw/zinc/04/06/90/521040690.db2.gz NJPDFCGWAQGWGL-IAGOWNOFSA-N 1 0 315.461 2.667 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000265157593 521150710 /nfs/dbraw/zinc/15/07/10/521150710.db2.gz QIYTZFXKNNWBTG-SFHVURJKSA-N 1 0 301.386 2.788 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c1 ZINC000266143616 521151411 /nfs/dbraw/zinc/15/14/11/521151411.db2.gz HWFIIJLIKGLNNY-SFHVURJKSA-N 1 0 319.401 2.998 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000179961401 521342064 /nfs/dbraw/zinc/34/20/64/521342064.db2.gz WOKVGXVFYIMPGJ-CQSZACIVSA-N 1 0 321.417 2.955 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1O ZINC000128432206 521345014 /nfs/dbraw/zinc/34/50/14/521345014.db2.gz OWXKODYSANAMPC-ZDUSSCGKSA-N 1 0 301.390 2.514 20 10 DFCDRO COC[C@H](CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265735442 522677509 /nfs/dbraw/zinc/67/75/09/522677509.db2.gz CKJWBVARVRYSDK-KRWDZBQOSA-N 1 0 301.386 2.546 20 10 DFCDRO COCCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000158231966 523176555 /nfs/dbraw/zinc/17/65/55/523176555.db2.gz XMZQNWWSKDXCQJ-CQSZACIVSA-N 1 0 310.413 2.740 20 10 DFCDRO CN1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCC1=O ZINC000265718897 524024478 /nfs/dbraw/zinc/02/44/78/524024478.db2.gz ZRMOZAZOJOPXQM-QGZVFWFLSA-N 1 0 310.397 2.770 20 10 DFCDRO COc1ccc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1C ZINC000365660467 524085191 /nfs/dbraw/zinc/08/51/91/524085191.db2.gz GFEHBEDQQWYRDD-ROUUACIJSA-N 1 0 319.445 2.803 20 10 DFCDRO Cc1cccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1O ZINC000158107958 524432507 /nfs/dbraw/zinc/43/25/07/524432507.db2.gz MZDPUVSAQWAHDF-GFCCVEGCSA-N 1 0 302.340 2.674 20 10 DFCDRO COc1ccc(O)c(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000180242479 524738310 /nfs/dbraw/zinc/73/83/10/524738310.db2.gz HZZAWYRHBZSBEW-SFHVURJKSA-N 1 0 313.397 2.883 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1C ZINC000365147520 525320142 /nfs/dbraw/zinc/32/01/42/525320142.db2.gz CDMQHXLQWJWHAG-HZPDHXFCSA-N 1 0 303.402 2.579 20 10 DFCDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1cc(Br)ccc1O ZINC000181007348 525401397 /nfs/dbraw/zinc/40/13/97/525401397.db2.gz HOWCAYCERDNVMV-SNVBAGLBSA-N 1 0 313.239 2.900 20 10 DFCDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1cc(Br)ccc1O ZINC000181013563 525479942 /nfs/dbraw/zinc/47/99/42/525479942.db2.gz RHMNMDGMLCOVQB-VIFPVBQESA-N 1 0 310.195 2.739 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000156451140 525480461 /nfs/dbraw/zinc/48/04/61/525480461.db2.gz GLINZNJRGXWMTP-ZBFHGGJFSA-N 1 0 322.424 2.882 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178430662 525484132 /nfs/dbraw/zinc/48/41/32/525484132.db2.gz HMAWWMLARDGWBX-CABCVRRESA-N 1 0 322.424 2.740 20 10 DFCDRO Cc1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c(O)c1O ZINC000182965066 526082907 /nfs/dbraw/zinc/08/29/07/526082907.db2.gz AIIDMDSAXRXVEK-UHFFFAOYSA-N 1 0 320.433 2.600 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1O ZINC000187986078 526158909 /nfs/dbraw/zinc/15/89/09/526158909.db2.gz VZQHKQCLEOOCBS-GXFFZTMASA-N 1 0 314.223 2.714 20 10 DFCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128535106 526362362 /nfs/dbraw/zinc/36/23/62/526362362.db2.gz RXRHTIWTJVGSIG-GFCCVEGCSA-N 1 0 306.797 2.549 20 10 DFCDRO Oc1ccccc1C[N@H+](CCCn1ccnc1)C[C@@H]1CCCO1 ZINC000182897927 526372786 /nfs/dbraw/zinc/37/27/86/526372786.db2.gz DKGWOIAMWMHCCH-KRWDZBQOSA-N 1 0 315.417 2.660 20 10 DFCDRO Cn1cnnc1C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000130597417 527521253 /nfs/dbraw/zinc/52/12/53/527521253.db2.gz WSUONCSXHYOFKF-UHFFFAOYSA-N 1 0 306.797 2.554 20 10 DFCDRO OC[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183031621 527617911 /nfs/dbraw/zinc/61/79/11/527617911.db2.gz LWXDGLBZQWIRDA-INIZCTEOSA-N 1 0 313.397 2.785 20 10 DFCDRO CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273414696 534947873 /nfs/dbraw/zinc/94/78/73/534947873.db2.gz QMDXCSXNXQPYFY-KGLIPLIRSA-N 1 0 320.433 2.561 20 10 DFCDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273414704 534956885 /nfs/dbraw/zinc/95/68/85/534956885.db2.gz QMDXCSXNXQPYFY-ZIAGYGMSSA-N 1 0 320.433 2.561 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1 ZINC000279809917 535686986 /nfs/dbraw/zinc/68/69/86/535686986.db2.gz OKEWVWHMQXQQMR-GOSISDBHSA-N 1 0 317.477 2.881 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000273078966 535752177 /nfs/dbraw/zinc/75/21/77/535752177.db2.gz IQSHBTPLNBNRFX-KRWDZBQOSA-N 1 0 315.413 2.874 20 10 DFCDRO COC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273399917 536411988 /nfs/dbraw/zinc/41/19/88/536411988.db2.gz MWWFPZCNQKWQJQ-ZDUSSCGKSA-N 1 0 306.406 2.890 20 10 DFCDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)OC ZINC000272641316 536853903 /nfs/dbraw/zinc/85/39/03/536853903.db2.gz CSWCNTISEUHVHV-YJBOKZPZSA-N 1 0 306.450 2.989 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1O ZINC000824613609 608457726 /nfs/dbraw/zinc/45/77/26/608457726.db2.gz VQBHZCMHOUZGNO-SNVBAGLBSA-N 1 0 313.336 2.562 20 10 DFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092707916 185335201 /nfs/dbraw/zinc/33/52/01/185335201.db2.gz FIVBMYBTIOVKAW-HNNXBMFYSA-N 1 0 304.434 2.829 20 10 DFCDRO CC[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N(C)C)cc1 ZINC000090662115 398490965 /nfs/dbraw/zinc/49/09/65/398490965.db2.gz BDHBSBAUNGUCQC-KRWDZBQOSA-N 1 0 306.450 2.582 20 10 DFCDRO COc1ccc(O)c(CN2CCC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000362047789 398642433 /nfs/dbraw/zinc/64/24/33/398642433.db2.gz SQLFDDXPTSLFBK-INIZCTEOSA-N 1 0 304.434 2.851 20 10 DFCDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)C(=O)NCCF)cc1 ZINC000282758441 535326696 /nfs/dbraw/zinc/32/66/96/535326696.db2.gz TWLRKHJXMZAVMT-OAHLLOKOSA-N 1 0 323.456 2.877 20 10 DFCDRO CCC[N@@H+]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079434453 399043298 /nfs/dbraw/zinc/04/32/98/399043298.db2.gz HODASUQNLBKPCT-UHFFFAOYSA-N 1 0 308.397 2.652 20 10 DFCDRO CCCNC(=O)C[N@H+](CCC)Cc1cc(OCC)ccc1O ZINC000092192568 193171999 /nfs/dbraw/zinc/17/19/99/193171999.db2.gz OIURFFJNEKSPJC-UHFFFAOYSA-N 1 0 308.422 2.529 20 10 DFCDRO C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273418131 296115204 /nfs/dbraw/zinc/11/52/04/296115204.db2.gz RKNKJPGSOCQATE-GFCCVEGCSA-N 1 0 319.405 2.825 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000093455622 193254124 /nfs/dbraw/zinc/25/41/24/193254124.db2.gz MLCWVAQEHFKQCP-SFHVURJKSA-N 1 0 313.397 2.883 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(OCCCOC)CC2)c1O ZINC000093561400 193267760 /nfs/dbraw/zinc/26/77/60/193267760.db2.gz ZEGXKUNFEPIPDT-UHFFFAOYSA-N 1 0 323.433 2.808 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc2ccccc2c1O ZINC000192714274 296147577 /nfs/dbraw/zinc/14/75/77/296147577.db2.gz IWJQZBBVCBEHOQ-LSDHHAIUSA-N 1 0 314.429 2.917 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@@H](c2cccs2)N(C)C)c1 ZINC000021806002 182291172 /nfs/dbraw/zinc/29/11/72/182291172.db2.gz BBCRADOJFBKRIH-AWEZNQCLSA-N 1 0 306.431 2.855 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Br)ccc1O ZINC000042544455 183283316 /nfs/dbraw/zinc/28/33/16/183283316.db2.gz INSANUNAYGSGPU-DGCLKSJQSA-N 1 0 313.239 2.900 20 10 DFCDRO CN(C)c1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1 ZINC000105433850 194104933 /nfs/dbraw/zinc/10/49/33/194104933.db2.gz SEYFPBWOUGRGHU-UHFFFAOYSA-N 1 0 307.438 2.757 20 10 DFCDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(N)cc1)CC(C)C ZINC000236878193 284814361 /nfs/dbraw/zinc/81/43/61/284814361.db2.gz JKYDTCFBXOIXTQ-KRWDZBQOSA-N 1 0 305.466 2.684 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc(Cl)ccc1O ZINC000297488620 533519934 /nfs/dbraw/zinc/51/99/34/533519934.db2.gz ZVAVYMFMOLMANP-TZMCWYRMSA-N 1 0 312.841 2.543 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c(O)c1C ZINC000273388098 130115502 /nfs/dbraw/zinc/11/55/02/130115502.db2.gz KDAZEFHSRQZPHI-JKSUJKDBSA-N 1 0 306.450 2.506 20 10 DFCDRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273426715 130120511 /nfs/dbraw/zinc/12/05/11/130120511.db2.gz ULMDNTOSBCUDEQ-XPTSAGLGSA-N 1 0 303.324 2.845 20 10 DFCDRO C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273437625 130122170 /nfs/dbraw/zinc/12/21/70/130122170.db2.gz XOHALLPLTWGJKA-CYBMUJFWSA-N 1 0 307.394 2.827 20 10 DFCDRO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc2ccccc2c1O ZINC000273502162 130129008 /nfs/dbraw/zinc/12/90/08/130129008.db2.gz QKHXAEQKFJGGLC-YVEFUNNKSA-N 1 0 311.385 2.663 20 10 DFCDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273587154 130139945 /nfs/dbraw/zinc/13/99/45/130139945.db2.gz OCOWWPNGCRRQEO-UWVGGRQHSA-N 1 0 302.212 2.824 20 10 DFCDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615827 130145974 /nfs/dbraw/zinc/14/59/74/130145974.db2.gz XJDYUUILLKJOBV-ZJUUUORDSA-N 1 0 304.350 2.754 20 10 DFCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000273623332 130146926 /nfs/dbraw/zinc/14/69/26/130146926.db2.gz ZUSRIOZULHUCQM-OCCSQVGLSA-N 1 0 300.406 2.575 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274458445 130238285 /nfs/dbraw/zinc/23/82/85/130238285.db2.gz ZXPXXDUXAOUXCS-NSHDSACASA-N 1 0 319.430 2.596 20 10 DFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000274635097 130250225 /nfs/dbraw/zinc/25/02/25/130250225.db2.gz DBORPMRYTPSJCX-LBPRGKRZSA-N 1 0 309.429 2.675 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1C ZINC000275505166 130327857 /nfs/dbraw/zinc/32/78/57/130327857.db2.gz JWZRMUPKUKRMDU-FUHWJXTLSA-N 1 0 315.417 2.752 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275570817 130341547 /nfs/dbraw/zinc/34/15/47/130341547.db2.gz CBVQTDCSPURNQJ-UHFFFAOYSA-N 1 0 319.449 2.798 20 10 DFCDRO Cc1cc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3O)CC2)n[nH]1 ZINC000275835275 130395140 /nfs/dbraw/zinc/39/51/40/130395140.db2.gz GEOTXYCPDLPSHC-GFCCVEGCSA-N 1 0 318.396 2.882 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1OC ZINC000283864072 131029580 /nfs/dbraw/zinc/02/95/80/131029580.db2.gz CISULMXAGGOGIX-ZFWWWQNUSA-N 1 0 307.390 2.553 20 10 DFCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1c(C)cc(C)cc1O)CC2 ZINC000284042906 131043049 /nfs/dbraw/zinc/04/30/49/131043049.db2.gz JYDXYYVXWRLPFF-JSGCOSHPSA-N 1 0 300.406 2.575 20 10 DFCDRO Cc1cc(C[NH2+]Cc2cc(Br)cc(C)c2O)n(C)n1 ZINC000284519162 131088233 /nfs/dbraw/zinc/08/82/33/131088233.db2.gz ZAOWQDXFVHDLGV-UHFFFAOYSA-N 1 0 324.222 2.795 20 10 DFCDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000284837110 131115448 /nfs/dbraw/zinc/11/54/48/131115448.db2.gz QRXCUSYIKZHTDC-QGZVFWFLSA-N 1 0 303.450 2.633 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1O ZINC000284954596 131125661 /nfs/dbraw/zinc/12/56/61/131125661.db2.gz HRROIEXVLLXDNF-UONOGXRCSA-N 1 0 315.841 2.602 20 10 DFCDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000284983169 131127961 /nfs/dbraw/zinc/12/79/61/131127961.db2.gz GELKFADOUVHYKC-GOEBONIOSA-N 1 0 304.434 2.918 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c(O)c1 ZINC000285081867 131136903 /nfs/dbraw/zinc/13/69/03/131136903.db2.gz JOXVOFYTMNJXND-HUUCEWRRSA-N 1 0 321.417 2.582 20 10 DFCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCOC[C@H]2C)ccc1OC ZINC000285422321 131166757 /nfs/dbraw/zinc/16/67/57/131166757.db2.gz GVSNQEIIQBFSOQ-ZBFHGGJFSA-N 1 0 307.434 2.994 20 10 DFCDRO CCOCc1cc(C[NH2+]C[C@H]2CCOC[C@@H]2C)ccc1OC ZINC000285422316 131166804 /nfs/dbraw/zinc/16/68/04/131166804.db2.gz GVSNQEIIQBFSOQ-GOEBONIOSA-N 1 0 307.434 2.994 20 10 DFCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000289521081 131392761 /nfs/dbraw/zinc/39/27/61/131392761.db2.gz PHLHUDMGWVIYOK-HNNXBMFYSA-N 1 0 306.406 2.801 20 10 DFCDRO CN(Cc1nn(C)cc1Br)Cc1ccccc1O ZINC000293026768 543019280 /nfs/dbraw/zinc/01/92/80/543019280.db2.gz VUZADBWOLOVNQQ-UHFFFAOYSA-N 1 0 310.195 2.520 20 10 DFCDRO C[C@@H]([NH2+][C@H](c1nccn1C)C1CCOCC1)c1ccccc1O ZINC000284759795 287065193 /nfs/dbraw/zinc/06/51/93/287065193.db2.gz GQQYNDRWJUJFIR-DYVFJYSZSA-N 1 0 315.417 2.944 20 10 DFCDRO COC[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000124598844 425928791 /nfs/dbraw/zinc/92/87/91/425928791.db2.gz QRUGZJQOHPLQBX-NSHDSACASA-N 1 0 314.223 2.931 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1O ZINC000037648220 425848832 /nfs/dbraw/zinc/84/88/32/425848832.db2.gz IQZJSGOBADJFTO-VXGBXAGGSA-N 1 0 302.340 2.927 20 10 DFCDRO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235798 426039502 /nfs/dbraw/zinc/03/95/02/426039502.db2.gz KWUCXQXLISVCIH-GOEBONIOSA-N 1 0 304.434 2.861 20 10 DFCDRO O=C(CCC[NH2+]Cc1ccccc1O)N1CCc2ccccc21 ZINC000111409421 426049027 /nfs/dbraw/zinc/04/90/27/426049027.db2.gz CWZUQMCYZVVXFF-UHFFFAOYSA-N 1 0 310.397 2.851 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000108453870 426017072 /nfs/dbraw/zinc/01/70/72/426017072.db2.gz NYJRVDHWTVUVEQ-SFHVURJKSA-N 1 0 315.461 2.633 20 10 DFCDRO CCC[N@H+](CC(=O)N1CCC[C@H](C)C1)Cc1ccccc1O ZINC000076074002 426097733 /nfs/dbraw/zinc/09/77/33/426097733.db2.gz YWRJCQXREXAJFO-HNNXBMFYSA-N 1 0 304.434 2.863 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1F ZINC000128185521 426105343 /nfs/dbraw/zinc/10/53/43/426105343.db2.gz XFFOGJGCIVWNRP-UHFFFAOYSA-N 1 0 302.397 2.994 20 10 DFCDRO COc1ccc([C@H](O)C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113318554 426112043 /nfs/dbraw/zinc/11/20/43/426112043.db2.gz OEASVUNINYBEFX-MRXNPFEDSA-N 1 0 307.777 2.877 20 10 DFCDRO COc1ccc([C@@H](O)C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113318556 426112078 /nfs/dbraw/zinc/11/20/78/426112078.db2.gz OEASVUNINYBEFX-INIZCTEOSA-N 1 0 307.777 2.877 20 10 DFCDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166470792 426127053 /nfs/dbraw/zinc/12/70/53/426127053.db2.gz BVAZHYAPKMITJQ-KRWDZBQOSA-N 1 0 303.450 2.809 20 10 DFCDRO CN(C)c1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000129909737 426140946 /nfs/dbraw/zinc/14/09/46/426140946.db2.gz AMQUTGMLBHLQDZ-MRXNPFEDSA-N 1 0 305.441 2.809 20 10 DFCDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1ccccc1O ZINC000079495805 426195335 /nfs/dbraw/zinc/19/53/35/426195335.db2.gz VYOXTAAEWPIIKQ-HNNXBMFYSA-N 1 0 307.438 2.510 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]CC(=O)N2CCCc3ccccc32)c1 ZINC000172116284 426222172 /nfs/dbraw/zinc/22/21/72/426222172.db2.gz ULBVMRIRUXNRKW-UHFFFAOYSA-N 1 0 310.397 2.770 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cc1 ZINC000136027627 426233648 /nfs/dbraw/zinc/23/36/48/426233648.db2.gz RNZVHNZQOIIBKS-UHFFFAOYSA-N 1 0 317.477 2.927 20 10 DFCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2ccc3c(c2)CCO3)c(C)o1 ZINC000174439129 426257041 /nfs/dbraw/zinc/25/70/41/426257041.db2.gz LQSUCMSTYBPYHQ-GOSISDBHSA-N 1 0 301.386 2.829 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H](C)CO)c1cc(Br)ccc1O ZINC000086623133 426260159 /nfs/dbraw/zinc/26/01/59/426260159.db2.gz FYLGJASQQRIKTI-SKDRFNHKSA-N 1 0 302.212 2.824 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000151386385 426292867 /nfs/dbraw/zinc/29/28/67/426292867.db2.gz USUPQVYFMPIJPX-PBHICJAKSA-N 1 0 323.458 2.935 20 10 DFCDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H]2CCCN2c2cccnn2)c1 ZINC000120401522 426311260 /nfs/dbraw/zinc/31/12/60/426311260.db2.gz NPWSKGZNGVBORO-INIZCTEOSA-N 1 0 312.417 2.591 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1F ZINC000121208919 426324598 /nfs/dbraw/zinc/32/45/98/426324598.db2.gz RQNXAEFUJBAONU-AWEZNQCLSA-N 1 0 302.397 2.994 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1F ZINC000121209100 426324827 /nfs/dbraw/zinc/32/48/27/426324827.db2.gz RQNXAEFUJBAONU-CQSZACIVSA-N 1 0 302.397 2.994 20 10 DFCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000089212010 426283031 /nfs/dbraw/zinc/28/30/31/426283031.db2.gz BQZIQBPRTUFEJB-CYBMUJFWSA-N 1 0 316.449 2.908 20 10 DFCDRO COc1cccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1O ZINC000093712825 426357719 /nfs/dbraw/zinc/35/77/19/426357719.db2.gz NJOVRTPPLVELFA-QFIPXVFZSA-N 1 0 319.426 2.770 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(N3CCCCC3=O)CC2)c1 ZINC000093741757 426358374 /nfs/dbraw/zinc/35/83/74/426358374.db2.gz SAUCHJLZIMNDFD-UHFFFAOYSA-N 1 0 302.418 2.678 20 10 DFCDRO COc1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1O ZINC000122100749 426358510 /nfs/dbraw/zinc/35/85/10/426358510.db2.gz XQEBBFHVAINNJZ-UHFFFAOYSA-N 1 0 301.390 2.510 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](COCCOC)C2)c(O)c1 ZINC000093755290 426358545 /nfs/dbraw/zinc/35/85/45/426358545.db2.gz YZHJAEYCAWGMRR-OAHLLOKOSA-N 1 0 323.433 2.666 20 10 DFCDRO COC(=O)c1cc(C[N@H+](C)Cc2cccc(OC)c2O)oc1C ZINC000122432542 426375298 /nfs/dbraw/zinc/37/52/98/426375298.db2.gz LBGFYAGFUXELTD-UHFFFAOYSA-N 1 0 319.357 2.721 20 10 DFCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000186462884 426531473 /nfs/dbraw/zinc/53/14/73/426531473.db2.gz UEBKXQZSVQMVNG-UKRRQHHQSA-N 1 0 305.422 2.634 20 10 DFCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000186475300 426535321 /nfs/dbraw/zinc/53/53/21/426535321.db2.gz ZZESRQAYGJQHCL-ZDUSSCGKSA-N 1 0 312.797 2.674 20 10 DFCDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186498134 426539286 /nfs/dbraw/zinc/53/92/86/426539286.db2.gz NZICAOLYHPCDLG-BVWQNDCPSA-N 1 0 322.424 2.640 20 10 DFCDRO C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1cc(F)ccc1O ZINC000186307782 426502176 /nfs/dbraw/zinc/50/21/76/426502176.db2.gz GWCNTTFPRACPSH-CYBMUJFWSA-N 1 0 316.376 2.541 20 10 DFCDRO CC[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(C)cc1O ZINC000280079109 426502978 /nfs/dbraw/zinc/50/29/78/426502978.db2.gz LPZKGNQZFMEJDT-INIZCTEOSA-N 1 0 306.450 2.852 20 10 DFCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000280418748 426572325 /nfs/dbraw/zinc/57/23/25/426572325.db2.gz ZATGTEUJJIMDPG-LJQANCHMSA-N 1 0 310.397 2.757 20 10 DFCDRO CN(C)c1ccc(CNC2CC[NH+](C3CCC3)CC2)cc1F ZINC000264946710 426579594 /nfs/dbraw/zinc/57/95/94/426579594.db2.gz JBVFTSXWUGGGJS-UHFFFAOYSA-N 1 0 305.441 2.998 20 10 DFCDRO COC(=O)CC1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCCC1 ZINC000280544536 426596506 /nfs/dbraw/zinc/59/65/06/426596506.db2.gz TXQATBKOJYOBDQ-UHFFFAOYSA-N 1 0 323.364 2.699 20 10 DFCDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc2ccccc2c1O ZINC000280778314 426655636 /nfs/dbraw/zinc/65/56/36/426655636.db2.gz GQSASTHVXXAJIH-JTQLQIEISA-N 1 0 308.328 2.577 20 10 DFCDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000289542458 426669213 /nfs/dbraw/zinc/66/92/13/426669213.db2.gz IBBJXAYQGWNJFZ-JSGCOSHPSA-N 1 0 307.390 2.636 20 10 DFCDRO CCc1ccc([C@H](O)C[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000289625948 426670982 /nfs/dbraw/zinc/67/09/82/426670982.db2.gz WQADMHLQJBGKAX-GOSISDBHSA-N 1 0 301.386 2.786 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1O ZINC000289717336 426673411 /nfs/dbraw/zinc/67/34/11/426673411.db2.gz FJJPYDWMXTZWIH-QFBILLFUSA-N 1 0 313.397 2.657 20 10 DFCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000289969694 426676881 /nfs/dbraw/zinc/67/68/81/426676881.db2.gz ZIRNOTWUHACPAG-MRXNPFEDSA-N 1 0 304.434 2.890 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]CCCn1ccnc1 ZINC000227434109 426625402 /nfs/dbraw/zinc/62/54/02/426625402.db2.gz MTDFGWTUEINQRP-UHFFFAOYSA-N 1 0 310.195 2.531 20 10 DFCDRO CCOC(=O)C1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000237158128 426688802 /nfs/dbraw/zinc/68/88/02/426688802.db2.gz ZKARLHXJRMXLLS-UHFFFAOYSA-N 1 0 304.434 2.964 20 10 DFCDRO COc1cc(O)c(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000281136937 426702786 /nfs/dbraw/zinc/70/27/86/426702786.db2.gz DKOOVDSRDLKOAP-VXGBXAGGSA-N 1 0 309.406 2.703 20 10 DFCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000281215624 426706311 /nfs/dbraw/zinc/70/63/11/426706311.db2.gz UQEIKWKLFVPZFJ-LJQANCHMSA-N 1 0 315.461 2.635 20 10 DFCDRO Oc1ccc(F)cc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000281273626 426708360 /nfs/dbraw/zinc/70/83/60/426708360.db2.gz NXEULQCQHLZAQS-UHFFFAOYSA-N 1 0 307.394 2.746 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)NC)c1 ZINC000290169248 426709228 /nfs/dbraw/zinc/70/92/28/426709228.db2.gz MRIKXXOCWNNRCW-CQSZACIVSA-N 1 0 322.405 2.501 20 10 DFCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000280984650 426698640 /nfs/dbraw/zinc/69/86/40/426698640.db2.gz MHOOSHLALKBBBU-HOCLYGCPSA-N 1 0 303.450 2.662 20 10 DFCDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000179329406 426780367 /nfs/dbraw/zinc/78/03/67/426780367.db2.gz WXUDPZGOYCMMAJ-UHFFFAOYSA-N 1 0 317.477 2.881 20 10 DFCDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179581674 426801328 /nfs/dbraw/zinc/80/13/28/426801328.db2.gz CWKYQLXSRYEFNF-AWEZNQCLSA-N 1 0 306.406 2.881 20 10 DFCDRO COc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)cc1F ZINC000179585755 426805888 /nfs/dbraw/zinc/80/58/88/426805888.db2.gz BOXBGXZNLHWLQP-UHFFFAOYSA-N 1 0 316.376 2.862 20 10 DFCDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000290629030 426809537 /nfs/dbraw/zinc/80/95/37/426809537.db2.gz XVYPMUUSJRHGRL-ZDUSSCGKSA-N 1 0 315.373 2.798 20 10 DFCDRO COc1ccc(O)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179694410 426812014 /nfs/dbraw/zinc/81/20/14/426812014.db2.gz CHLISSURNBCOIR-UHFFFAOYSA-N 1 0 302.330 2.941 20 10 DFCDRO Cc1noc(C)c1CN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000179759427 426817408 /nfs/dbraw/zinc/81/74/08/426817408.db2.gz YJSQJFFSAQERRJ-UHFFFAOYSA-N 1 0 315.417 2.623 20 10 DFCDRO CN(C)c1ccc(CNCc2ncnn2C(C)(C)C)cc1F ZINC000282188915 426848267 /nfs/dbraw/zinc/84/82/67/426848267.db2.gz BIJRGWJMLHKKRA-UHFFFAOYSA-N 1 0 305.401 2.528 20 10 DFCDRO CCCCN(Cc1ccccc1O)C(=O)C1CC[NH+](C)CC1 ZINC000282597999 426919731 /nfs/dbraw/zinc/91/97/31/426919731.db2.gz XSNUQMKPSQKAQM-UHFFFAOYSA-N 1 0 304.434 2.863 20 10 DFCDRO Cn1cc([C@@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)cn1 ZINC000295262129 426881786 /nfs/dbraw/zinc/88/17/86/426881786.db2.gz GYDOKVMVWNUSDR-SNVBAGLBSA-N 1 0 309.772 2.908 20 10 DFCDRO Cc1cccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000291322383 426883546 /nfs/dbraw/zinc/88/35/46/426883546.db2.gz SXZQFJPFBWUGIX-AWEZNQCLSA-N 1 0 314.360 2.735 20 10 DFCDRO CCCC[N@H+](CCCN1CCOCC1)Cc1ccccc1O ZINC000282377339 426894125 /nfs/dbraw/zinc/89/41/25/426894125.db2.gz FRDWHVGIKZBGGB-UHFFFAOYSA-N 1 0 306.450 2.717 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3CCCCN3C[C@H]2C)c1O ZINC000316777150 426948720 /nfs/dbraw/zinc/94/87/20/426948720.db2.gz AATSPOWPJSZWRN-GDBMZVCRSA-N 1 0 304.434 2.850 20 10 DFCDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000295387104 426936028 /nfs/dbraw/zinc/93/60/28/426936028.db2.gz PPAPBQFVMWOLHN-NSHDSACASA-N 1 0 310.760 2.613 20 10 DFCDRO C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2CCc3cccc(O)c32)C[C@@H](C)O1 ZINC000295872216 427018839 /nfs/dbraw/zinc/01/88/39/427018839.db2.gz HDVIYBWPKFNXIF-FMKPAKJESA-N 1 0 318.461 2.857 20 10 DFCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268798438 427119029 /nfs/dbraw/zinc/11/90/29/427119029.db2.gz CLHOWXWJKJHWSU-ZFWWWQNUSA-N 1 0 319.424 2.697 20 10 DFCDRO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268895686 427137615 /nfs/dbraw/zinc/13/76/15/427137615.db2.gz PBZHHJVOCVNZCE-SUMWQHHRSA-N 1 0 324.440 2.720 20 10 DFCDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268902357 427137991 /nfs/dbraw/zinc/13/79/91/427137991.db2.gz QMBQGSMSRZBAOH-SUNYJGFJSA-N 1 0 324.440 2.720 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(CCOC)C2)cc1 ZINC000268919692 427138424 /nfs/dbraw/zinc/13/84/24/427138424.db2.gz OOOXKEAXVQUEPM-DOTOQJQBSA-N 1 0 305.466 2.514 20 10 DFCDRO Oc1cccc(Cl)c1CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000268970305 427140756 /nfs/dbraw/zinc/14/07/56/427140756.db2.gz MSUDOJCOYRNJLM-RDJZCZTQSA-N 1 0 324.852 2.513 20 10 DFCDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000269130518 427149229 /nfs/dbraw/zinc/14/92/29/427149229.db2.gz OGQJLLOGZWRJDP-MRXNPFEDSA-N 1 0 311.429 2.836 20 10 DFCDRO Cc1cc(N2CCC([NH2+][C@@H]3CCc4cccc(O)c43)CC2)n[nH]1 ZINC000296418258 427174791 /nfs/dbraw/zinc/17/47/91/427174791.db2.gz LGPLUDBKABAUHZ-OAHLLOKOSA-N 1 0 312.417 2.670 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000252733868 427193477 /nfs/dbraw/zinc/19/34/77/427193477.db2.gz SVTULUAIWURACR-CZUORRHYSA-N 1 0 301.390 2.680 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296534092 427213811 /nfs/dbraw/zinc/21/38/11/427213811.db2.gz QQCVAQXVIAOQSU-CXAGYDPISA-N 1 0 322.424 2.880 20 10 DFCDRO CCCC[N@H+](Cc1ccnc(OC)n1)Cc1ccccc1O ZINC000296938189 427285133 /nfs/dbraw/zinc/28/51/33/427285133.db2.gz SQXRNRDHZCMGFC-UHFFFAOYSA-N 1 0 301.390 2.993 20 10 DFCDRO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000183206065 427222635 /nfs/dbraw/zinc/22/26/35/427222635.db2.gz UNOMUSXDCLNRLV-ZDUSSCGKSA-N 1 0 321.440 2.978 20 10 DFCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296633968 427226965 /nfs/dbraw/zinc/22/69/65/427226965.db2.gz CMJURJMGKACIIK-CQSZACIVSA-N 1 0 314.385 2.691 20 10 DFCDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296633967 427228196 /nfs/dbraw/zinc/22/81/96/427228196.db2.gz CMJURJMGKACIIK-AWEZNQCLSA-N 1 0 314.385 2.691 20 10 DFCDRO CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000183366909 427252787 /nfs/dbraw/zinc/25/27/87/427252787.db2.gz AYTVDLZVBCSPRH-UHFFFAOYSA-N 1 0 324.428 2.678 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cnn(C)c2C)c1O ZINC000183385345 427259614 /nfs/dbraw/zinc/25/96/14/427259614.db2.gz HOIGXKVLZCBYHC-VIFPVBQESA-N 1 0 305.353 2.627 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1O ZINC000183406871 427262782 /nfs/dbraw/zinc/26/27/82/427262782.db2.gz GJOHDDASJCBCDI-CYBMUJFWSA-N 1 0 320.824 2.858 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1 ZINC000270254493 427320684 /nfs/dbraw/zinc/32/06/84/427320684.db2.gz GTPJTVTZGBTRNT-SFHVURJKSA-N 1 0 302.393 2.889 20 10 DFCDRO Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC000278057221 427395426 /nfs/dbraw/zinc/39/54/26/427395426.db2.gz YMMJJAFXECHSNC-MRXNPFEDSA-N 1 0 306.450 2.600 20 10 DFCDRO CCCN(CCC)c1ccc(C[NH2+][C@]2(CO)CCOC2)cc1 ZINC000184183649 427412283 /nfs/dbraw/zinc/41/22/83/427412283.db2.gz JZBYFZTVDWRVDY-SFHVURJKSA-N 1 0 306.450 2.554 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c(O)c1 ZINC000270490778 427362253 /nfs/dbraw/zinc/36/22/53/427362253.db2.gz LDHDSNDJWRGXHG-CYBMUJFWSA-N 1 0 307.312 2.584 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@H](CC)[C@H](O)C(F)(F)F)c(O)c1 ZINC000270773237 427366520 /nfs/dbraw/zinc/36/65/20/427366520.db2.gz ARVNJDYZNOEBDH-OCCSQVGLSA-N 1 0 321.339 2.972 20 10 DFCDRO CCc1noc(C)c1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000293569592 427368166 /nfs/dbraw/zinc/36/81/66/427368166.db2.gz BESGDKDGJRRAJC-JTQLQIEISA-N 1 0 318.373 2.888 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cc[nH]n2)c1O ZINC000278706775 427450554 /nfs/dbraw/zinc/45/05/54/427450554.db2.gz UCCJNGRLVAIRSV-HNNXBMFYSA-N 1 0 303.337 2.794 20 10 DFCDRO C[C@@H](c1cnccn1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000184412413 427453896 /nfs/dbraw/zinc/45/38/96/427453896.db2.gz LHPLRMYFDRHBJI-HNNXBMFYSA-N 1 0 312.417 2.506 20 10 DFCDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1C ZINC000271262222 427470437 /nfs/dbraw/zinc/47/04/37/427470437.db2.gz ZKVPQWRTRHWLLT-KRWDZBQOSA-N 1 0 303.377 2.836 20 10 DFCDRO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000278301037 427426074 /nfs/dbraw/zinc/42/60/74/427426074.db2.gz RWEFISCSBFSKKQ-LBPRGKRZSA-N 1 0 302.374 2.983 20 10 DFCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297674755 427427087 /nfs/dbraw/zinc/42/70/87/427427087.db2.gz LGVRCSAYCWHRST-KGLIPLIRSA-N 1 0 318.417 2.979 20 10 DFCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCn1cncn1 ZINC000293761250 427428534 /nfs/dbraw/zinc/42/85/34/427428534.db2.gz OYCUNPDGPFHVQV-GOSISDBHSA-N 1 0 322.412 2.947 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1OC ZINC000278337946 427431655 /nfs/dbraw/zinc/43/16/55/427431655.db2.gz HIHBFPOSDDHQMD-HNNXBMFYSA-N 1 0 320.433 2.516 20 10 DFCDRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1c(O)cccc1Cl ZINC000271180981 427434374 /nfs/dbraw/zinc/43/43/74/427434374.db2.gz DLGHTVQCRKKFHT-ZDUSSCGKSA-N 1 0 309.768 2.878 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278416663 427436174 /nfs/dbraw/zinc/43/61/74/427436174.db2.gz QUJWXYRWFKMLFP-SMDDNHRTSA-N 1 0 319.323 2.536 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000278424608 427440315 /nfs/dbraw/zinc/44/03/15/427440315.db2.gz SENXBLARTHWQAA-DZGCQCFKSA-N 1 0 316.367 2.888 20 10 DFCDRO CCOC1CC(O)(C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000278428506 427440376 /nfs/dbraw/zinc/44/03/76/427440376.db2.gz JDXZYZCNTICWJE-ADKAHSJRSA-N 1 0 306.450 2.723 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000278575952 427445212 /nfs/dbraw/zinc/44/52/12/427445212.db2.gz FDKMEZCCMJIKHV-UHFFFAOYSA-N 1 0 305.418 2.823 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271447387 427540417 /nfs/dbraw/zinc/54/04/17/427540417.db2.gz FDKWFNQLYGDKPE-TZMCWYRMSA-N 1 0 310.438 2.818 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCCn2nc(COC)nc21)c1ccccc1O ZINC000185213982 427613520 /nfs/dbraw/zinc/61/35/20/427613520.db2.gz JMSIOXGRLOTETO-KGLIPLIRSA-N 1 0 316.405 2.706 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccccc1O ZINC000192812024 427615791 /nfs/dbraw/zinc/61/57/91/427615791.db2.gz MQONPHNCGQDWRW-GDBMZVCRSA-N 1 0 312.417 2.892 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000184914599 427562665 /nfs/dbraw/zinc/56/26/65/427562665.db2.gz XLOCIGAAGLWLGC-XHSDSOJGSA-N 1 0 306.450 2.851 20 10 DFCDRO C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(F)ccc1O ZINC000184956052 427569524 /nfs/dbraw/zinc/56/95/24/427569524.db2.gz ZLDKHBWXXZCBOC-LBPRGKRZSA-N 1 0 318.396 2.743 20 10 DFCDRO COCCN(C)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263798861 427575715 /nfs/dbraw/zinc/57/57/15/427575715.db2.gz PNNJQZOPMOZMAG-UHFFFAOYSA-N 1 0 314.429 2.727 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OC ZINC000271717403 427586128 /nfs/dbraw/zinc/58/61/28/427586128.db2.gz IYMFFHDQHSGLQU-LBPRGKRZSA-N 1 0 317.389 2.512 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000271859800 427592030 /nfs/dbraw/zinc/59/20/30/427592030.db2.gz TUXILZLLODHPSM-PIGZYNQJSA-N 1 0 305.349 2.924 20 10 DFCDRO Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000294646405 427647926 /nfs/dbraw/zinc/64/79/26/427647926.db2.gz BPAUHQUXQBEASG-GOSISDBHSA-N 1 0 311.429 2.719 20 10 DFCDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185467619 427656906 /nfs/dbraw/zinc/65/69/06/427656906.db2.gz LAHFZPSUBDJFBI-UGSOOPFHSA-N 1 0 307.434 2.709 20 10 DFCDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185463801 427657931 /nfs/dbraw/zinc/65/79/31/427657931.db2.gz PSGPXOOCZMSWBS-ZANVPECISA-N 1 0 302.212 2.822 20 10 DFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)cc1C ZINC000294826743 427660927 /nfs/dbraw/zinc/66/09/27/427660927.db2.gz PNUZOMSYLOPHQA-OAHLLOKOSA-N 1 0 306.406 2.672 20 10 DFCDRO COCCCN(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185553685 427670485 /nfs/dbraw/zinc/67/04/85/427670485.db2.gz IKYHSKQPMJYCNG-GFCCVEGCSA-N 1 0 300.830 2.665 20 10 DFCDRO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000295108193 427696424 /nfs/dbraw/zinc/69/64/24/427696424.db2.gz LIEMBCKVCRPKFT-AWEZNQCLSA-N 1 0 314.385 2.818 20 10 DFCDRO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(Br)ccc1O ZINC000185829661 427713805 /nfs/dbraw/zinc/71/38/05/427713805.db2.gz BEIZWUUFMBJSAX-JBLDHEPKSA-N 1 0 312.207 2.742 20 10 DFCDRO OC[C@H](CC1CCC1)[NH2+]Cc1cc(Br)ccc1O ZINC000279663976 427714849 /nfs/dbraw/zinc/71/48/49/427714849.db2.gz GQVMDPXKCOHKPJ-ZDUSSCGKSA-N 1 0 314.223 2.795 20 10 DFCDRO CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccc(C)cc1O ZINC000280001710 427727074 /nfs/dbraw/zinc/72/70/74/427727074.db2.gz FZPXGDIUQUPQSZ-KRWDZBQOSA-N 1 0 304.434 3.000 20 10 DFCDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)C[C@]2(CCOC2)O1 ZINC000369546343 427995286 /nfs/dbraw/zinc/99/52/86/427995286.db2.gz OGYOOOJIIVWVHZ-INIZCTEOSA-N 1 0 311.809 2.816 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000370223764 428162198 /nfs/dbraw/zinc/16/21/98/428162198.db2.gz DZSHOUUPSJTXQY-SJLPKXTDSA-N 1 0 315.417 2.824 20 10 DFCDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(Cl)ccc1O ZINC000371471469 428391689 /nfs/dbraw/zinc/39/16/89/428391689.db2.gz UQKOMSYHSRIHRD-HLLBOEOZSA-N 1 0 324.852 2.729 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)Cc3ccnn3C)CC2)cc1 ZINC000371338373 428382665 /nfs/dbraw/zinc/38/26/65/428382665.db2.gz BMHHUHXXPDQGFM-UHFFFAOYSA-N 1 0 314.433 2.530 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000373225545 428524448 /nfs/dbraw/zinc/52/44/48/428524448.db2.gz AOQDRUNPRINYAB-ZDUSSCGKSA-N 1 0 301.390 2.514 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCN([C@@H]2CCSC2)CC1 ZINC000372601012 428474471 /nfs/dbraw/zinc/47/44/71/428474471.db2.gz QGCNYJVUSHAODE-ZBFHGGJFSA-N 1 0 306.475 2.966 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@]2(CCCOC2)O1 ZINC000373470947 428585302 /nfs/dbraw/zinc/58/53/02/428585302.db2.gz UYRJKEOYZOUNQP-AEFFLSMTSA-N 1 0 305.418 2.861 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)cc1 ZINC000373605132 428617345 /nfs/dbraw/zinc/61/73/45/428617345.db2.gz VQZQDDYYFYOTPH-LJQANCHMSA-N 1 0 318.461 2.913 20 10 DFCDRO CC[C@@H]([NH2+][C@H]1CCc2nnc(C)n2C1)c1ccc(C)cc1O ZINC000373853000 428652804 /nfs/dbraw/zinc/65/28/04/428652804.db2.gz WPFINXCKAFCLDO-DZGCQCFKSA-N 1 0 300.406 2.656 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(c3ccncn3)C2)cc1C ZINC000374141162 428664915 /nfs/dbraw/zinc/66/49/15/428664915.db2.gz DTBSHMHIGFGRHA-MRXNPFEDSA-N 1 0 312.417 2.558 20 10 DFCDRO Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)n1 ZINC000374254981 428670033 /nfs/dbraw/zinc/67/00/33/428670033.db2.gz HVNFCMNBXOMZJU-GOSISDBHSA-N 1 0 313.449 2.626 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)c1ccccc1O ZINC000374673768 428727893 /nfs/dbraw/zinc/72/78/93/428727893.db2.gz AYJDIHOAJNJKJR-MUQADHOPSA-N 1 0 318.461 2.932 20 10 DFCDRO Cc1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000363854590 429000921 /nfs/dbraw/zinc/00/09/21/429000921.db2.gz MIGAJUTWIHJJEK-GXTWGEPZSA-N 1 0 300.406 2.575 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(Cl)ccc1O ZINC000363868535 429132349 /nfs/dbraw/zinc/13/23/49/429132349.db2.gz NUSDANAMTSHTGH-AAEUAGOBSA-N 1 0 320.824 2.709 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCOCC3(CCCC3)C2)cc1OC ZINC000364286299 429176490 /nfs/dbraw/zinc/17/64/90/429176490.db2.gz BDTRRVMWFDEEDB-UHFFFAOYSA-N 1 0 321.417 2.802 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCCCO3)C2)cc1OC ZINC000365737388 429365400 /nfs/dbraw/zinc/36/54/00/429365400.db2.gz PMZIDRCERIGJQF-GOSISDBHSA-N 1 0 321.417 2.945 20 10 DFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1O ZINC000365846357 429386234 /nfs/dbraw/zinc/38/62/34/429386234.db2.gz IFIIJGBUXZZBOC-CYBMUJFWSA-N 1 0 307.781 2.698 20 10 DFCDRO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H]1CCc3cccc(O)c31)CC2 ZINC000296781439 275776851 /nfs/dbraw/zinc/77/68/51/275776851.db2.gz KUGVZSKOHIZYPZ-KBPBESRZSA-N 1 0 312.417 2.699 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H](OC)C[C@H]1c1nc(C)no1 ZINC000367359681 429630516 /nfs/dbraw/zinc/63/05/16/429630516.db2.gz AOBHJNLDQDTSJN-YUELXQCFSA-N 1 0 317.389 2.997 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1O ZINC000367699281 429703627 /nfs/dbraw/zinc/70/36/27/429703627.db2.gz HLYSVYUPVNCCFA-CQSZACIVSA-N 1 0 301.390 2.514 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1O ZINC000367803077 429720433 /nfs/dbraw/zinc/72/04/33/429720433.db2.gz QSWHEHPQJSLRJG-GOEBONIOSA-N 1 0 310.397 2.844 20 10 DFCDRO CCOc1ccc(C[NH2+]CCc2ccc(OC)nc2)c(O)c1 ZINC000527792585 429798849 /nfs/dbraw/zinc/79/88/49/429798849.db2.gz CVOXKHBDRGGGEK-UHFFFAOYSA-N 1 0 302.374 2.527 20 10 DFCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)c(O)c1 ZINC000527804750 429801524 /nfs/dbraw/zinc/80/15/24/429801524.db2.gz BARIRJXMSIBWFJ-INIZCTEOSA-N 1 0 304.434 2.897 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCN2C2CCCC2)c1 ZINC000527808011 429803225 /nfs/dbraw/zinc/80/32/25/429803225.db2.gz PAJJCHDSYJFOAN-MRXNPFEDSA-N 1 0 304.434 2.897 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C23CCC3)cc1OC ZINC000368033591 429772070 /nfs/dbraw/zinc/77/20/70/429772070.db2.gz GTIALFLKLRGMNK-YMRXKLBXSA-N 1 0 321.417 2.703 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368041405 429774072 /nfs/dbraw/zinc/77/40/72/429774072.db2.gz KWJQDDFFUANORY-XJKSGUPXSA-N 1 0 312.417 3.095 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)ccc1OC ZINC000527767431 429795253 /nfs/dbraw/zinc/79/52/53/429795253.db2.gz UZDQSYCFUHDMOK-QAPCUYQASA-N 1 0 305.418 2.889 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c(O)c1C ZINC000368325006 429831925 /nfs/dbraw/zinc/83/19/25/429831925.db2.gz WPVCWTXXWAVNEF-ARFHVFGLSA-N 1 0 304.434 2.523 20 10 DFCDRO COC[C@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000368679379 429886441 /nfs/dbraw/zinc/88/64/41/429886441.db2.gz YRVCAGZJEDQILC-SFHVURJKSA-N 1 0 318.461 2.772 20 10 DFCDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000368679378 429886869 /nfs/dbraw/zinc/88/68/69/429886869.db2.gz YRVCAGZJEDQILC-GOSISDBHSA-N 1 0 318.461 2.772 20 10 DFCDRO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000368823810 429896858 /nfs/dbraw/zinc/89/68/58/429896858.db2.gz JGRUVQWOLYSHDV-UONOGXRCSA-N 1 0 314.433 2.829 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000369036743 429908438 /nfs/dbraw/zinc/90/84/38/429908438.db2.gz SYKZYWSTMYRAJI-UHFFFAOYSA-N 1 0 319.355 2.778 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000279632530 276883211 /nfs/dbraw/zinc/88/32/11/276883211.db2.gz LAFKYFYDEPALFH-UHFFFAOYSA-N 1 0 302.340 2.728 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3C)cc2)CC1 ZINC000295955039 277194668 /nfs/dbraw/zinc/19/46/68/277194668.db2.gz IWQDUACSAFVQQH-HNAYVOBHSA-N 1 0 318.461 2.816 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278415527 278010362 /nfs/dbraw/zinc/01/03/62/278010362.db2.gz QUJWXYRWFKMLFP-BXUZGUMPSA-N 1 0 319.323 2.536 20 10 DFCDRO CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000284411176 288063744 /nfs/dbraw/zinc/06/37/44/288063744.db2.gz QGVLLSYVGACHRU-BPQIPLTHSA-N 1 0 322.493 2.951 20 10 DFCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCOc2cc(F)ccc21 ZINC000662608901 431133042 /nfs/dbraw/zinc/13/30/42/431133042.db2.gz RWHVUHHYNCKJLW-UHFFFAOYSA-N 1 0 312.344 2.511 20 10 DFCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCCc2cccc(O)c21 ZINC000662787144 431192701 /nfs/dbraw/zinc/19/27/01/431192701.db2.gz GLQHGEPXFGQFML-UHFFFAOYSA-N 1 0 308.381 2.631 20 10 DFCDRO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cc(F)ccc2O)CCN1 ZINC000179944843 280269770 /nfs/dbraw/zinc/26/97/70/280269770.db2.gz PWOHGZLAKANZIZ-INIZCTEOSA-N 1 0 314.360 2.595 20 10 DFCDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1cc(F)ccc1O ZINC000273483371 290036917 /nfs/dbraw/zinc/03/69/17/290036917.db2.gz MSLBLAKTXYTKLD-XLWVJDPXSA-N 1 0 319.376 2.667 20 10 DFCDRO C[C@H](CCCO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185689802 333211752 /nfs/dbraw/zinc/21/17/52/333211752.db2.gz HHXIIFLNYUHBFR-NXEZZACHSA-N 1 0 302.212 2.966 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(NC(N)=O)cc1 ZINC000126992203 331999012 /nfs/dbraw/zinc/99/90/12/331999012.db2.gz UZWTXVOTRFOTEC-LBPRGKRZSA-N 1 0 311.385 2.963 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCN(Cc3ccccn3)CC2)cc1C ZINC000122517011 332409485 /nfs/dbraw/zinc/40/94/85/332409485.db2.gz QYBWBMVZXHXDAY-UHFFFAOYSA-N 1 0 311.429 2.722 20 10 DFCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293868428 335115420 /nfs/dbraw/zinc/11/54/20/335115420.db2.gz CLALQMKCMSSXHH-LBPRGKRZSA-N 1 0 300.196 2.502 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](O)CC2)c1O ZINC000293946109 335116149 /nfs/dbraw/zinc/11/61/49/335116149.db2.gz ILYFMKAWJUPYPG-ZDUSSCGKSA-N 1 0 314.223 2.810 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])cc1 ZINC000178711746 333142643 /nfs/dbraw/zinc/14/26/43/333142643.db2.gz XIQDYZVWXXNECA-FZCLSBEQSA-N 1 0 315.461 2.522 20 10 DFCDRO O=C1C[C@H](C[NH2+]Cc2ccccc2O)CN1Cc1ccccc1 ZINC000179061745 333146184 /nfs/dbraw/zinc/14/61/84/333146184.db2.gz OXWHZTHMJJSYST-MRXNPFEDSA-N 1 0 310.397 2.531 20 10 DFCDRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc2c(cc1O)CCCC2 ZINC000185639040 333211255 /nfs/dbraw/zinc/21/12/55/333211255.db2.gz PRZSGRKQLYNXRG-SJCJKPOMSA-N 1 0 307.459 2.790 20 10 DFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000294880049 335128549 /nfs/dbraw/zinc/12/85/49/335128549.db2.gz PZHYDELPNMHZOS-FZNQNYSPSA-N 1 0 302.443 2.997 20 10 DFCDRO COc1cccc(C[NH2+]Cc2cnc(OC)c(Cl)c2)c1O ZINC000294930765 335128961 /nfs/dbraw/zinc/12/89/61/335128961.db2.gz GGCHHWSUJTZMHT-UHFFFAOYSA-N 1 0 308.765 2.748 20 10 DFCDRO COc1cccc(CN2CCC[C@@H]([NH+]3CCCCC3)C2)c1O ZINC000119662529 333255759 /nfs/dbraw/zinc/25/57/59/333255759.db2.gz ZJDRQDNRLQTBIE-MRXNPFEDSA-N 1 0 304.434 2.851 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](CCO)C3CCC3)cc2)CC1 ZINC000295659939 335136596 /nfs/dbraw/zinc/13/65/96/335136596.db2.gz APDAOKWCVRQYGP-UHFFFAOYSA-N 1 0 318.461 2.649 20 10 DFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1O ZINC000296103117 335141681 /nfs/dbraw/zinc/14/16/81/335141681.db2.gz YWURKRCFADNUJS-IEBDPFPHSA-N 1 0 300.196 2.637 20 10 DFCDRO O=C1[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1Cc1ccccc1 ZINC000296964155 335150436 /nfs/dbraw/zinc/15/04/36/335150436.db2.gz RHQCJLJGXMDYMT-IRXDYDNUSA-N 1 0 322.408 2.770 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297213992 335151399 /nfs/dbraw/zinc/15/13/99/335151399.db2.gz GUQNKVJHUVFHEN-HKUYNNGSSA-N 1 0 319.493 2.640 20 10 DFCDRO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cc(F)ccc1O ZINC000297340843 335153289 /nfs/dbraw/zinc/15/32/89/335153289.db2.gz OMRDCCODMOKOJK-IAQYHMDHSA-N 1 0 307.340 2.925 20 10 DFCDRO Fc1cc(C[NH2+]C[C@H]2CCSC2)ccc1N1CCOCC1 ZINC000278404426 334096279 /nfs/dbraw/zinc/09/62/79/334096279.db2.gz OHBWYCPSFHSFQZ-CQSZACIVSA-N 1 0 310.438 2.505 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1 ZINC000283018060 334138702 /nfs/dbraw/zinc/13/87/02/334138702.db2.gz MABHLDQVEGDJKW-SFHVURJKSA-N 1 0 301.386 2.841 20 10 DFCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000295066221 334216762 /nfs/dbraw/zinc/21/67/62/334216762.db2.gz ROMBLYZPWDKADG-ACJLOTCBSA-N 1 0 322.424 2.738 20 10 DFCDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)C(C)(C)C2)cc1OC ZINC000295081685 334217849 /nfs/dbraw/zinc/21/78/49/334217849.db2.gz SCXAOUAULQQJOM-INIZCTEOSA-N 1 0 309.406 2.656 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000371015997 335890782 /nfs/dbraw/zinc/89/07/82/335890782.db2.gz DJGZEEXGDJWXFA-UHFFFAOYSA-N 1 0 303.789 2.665 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000192712942 336258998 /nfs/dbraw/zinc/25/89/98/336258998.db2.gz RFLMBGLHNAEGHW-CQSZACIVSA-N 1 0 312.417 2.810 20 10 DFCDRO COCC1([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000368692477 336851011 /nfs/dbraw/zinc/85/10/11/336851011.db2.gz NMRONQBLLISLAE-UHFFFAOYSA-N 1 0 304.434 2.823 20 10 DFCDRO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000368695029 336851035 /nfs/dbraw/zinc/85/10/35/336851035.db2.gz QTHHHYBEMOFKOH-CYBMUJFWSA-N 1 0 315.373 2.505 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@]12CCCO2 ZINC000368707994 336851203 /nfs/dbraw/zinc/85/12/03/336851203.db2.gz UTCYWTHKTQAFII-XHSDSOJGSA-N 1 0 311.809 2.862 20 10 DFCDRO C/C=C/C[C@H](CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000370344636 336882749 /nfs/dbraw/zinc/88/27/49/336882749.db2.gz YWCOPVRTYVNAQJ-QDLOVBKTSA-N 1 0 304.434 2.581 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000371515296 336906894 /nfs/dbraw/zinc/90/68/94/336906894.db2.gz VCLGFSOLQCAIQR-GOEBONIOSA-N 1 0 311.809 2.782 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)cc1OC ZINC000375023422 337001781 /nfs/dbraw/zinc/00/17/81/337001781.db2.gz UPFQPHLIIPEGNJ-DZGCQCFKSA-N 1 0 307.390 2.553 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@H]2Cc3ccccc3N(C)C2)c1 ZINC000375346199 337008689 /nfs/dbraw/zinc/00/86/89/337008689.db2.gz YILSBSPGNAEXFN-CQSZACIVSA-N 1 0 312.413 2.799 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000305147098 337015772 /nfs/dbraw/zinc/01/57/72/337015772.db2.gz SAIPDKTUTCRVTP-QZTJIDSGSA-N 1 0 304.434 2.557 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c1O ZINC000375842992 337020989 /nfs/dbraw/zinc/02/09/89/337020989.db2.gz AEZLJMDLWVGQCS-OAHLLOKOSA-N 1 0 301.390 2.780 20 10 DFCDRO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1cccc(OC)c1O ZINC000375847198 337021257 /nfs/dbraw/zinc/02/12/57/337021257.db2.gz LHRLDGJMSREXLQ-CVEARBPZSA-N 1 0 304.434 2.850 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)CC2 ZINC000375851590 337021417 /nfs/dbraw/zinc/02/14/17/337021417.db2.gz UYCAAFBKOUVMAU-OLZOCXBDSA-N 1 0 300.406 2.520 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)CC2 ZINC000375853399 337021495 /nfs/dbraw/zinc/02/14/95/337021495.db2.gz YZEPXCKBIZIDEI-OLZOCXBDSA-N 1 0 300.406 2.520 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1 ZINC000377539240 337054530 /nfs/dbraw/zinc/05/45/30/337054530.db2.gz CMCYMOMCISBGKN-IYPIGGPWSA-N 1 0 321.417 2.730 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000377684886 337058363 /nfs/dbraw/zinc/05/83/63/337058363.db2.gz YPFCSYKDVVQCEZ-YJBOKZPZSA-N 1 0 302.418 2.788 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2nnc(C)o2)C1 ZINC000377713714 337059337 /nfs/dbraw/zinc/05/93/37/337059337.db2.gz AKUKRIQPSWLMPE-DZGCQCFKSA-N 1 0 303.362 2.608 20 10 DFCDRO Oc1cc2c(cc1C[NH2+][C@@H]1COc3c1cccc3Cl)OCO2 ZINC000378089539 337066267 /nfs/dbraw/zinc/06/62/67/337066267.db2.gz JLKVVUMOLWUPPM-GFCCVEGCSA-N 1 0 319.744 2.998 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378380719 337071312 /nfs/dbraw/zinc/07/13/12/337071312.db2.gz VTNUMFSSWCMODK-FUHWJXTLSA-N 1 0 315.417 2.522 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378380721 337071387 /nfs/dbraw/zinc/07/13/87/337071387.db2.gz VTNUMFSSWCMODK-WMZOPIPTSA-N 1 0 315.417 2.522 20 10 DFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)NC3CC3)CC2)c1O ZINC000378439884 337072832 /nfs/dbraw/zinc/07/28/32/337072832.db2.gz WPGFZEYFXJSORA-UHFFFAOYSA-N 1 0 322.836 2.845 20 10 DFCDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000378490570 337074182 /nfs/dbraw/zinc/07/41/82/337074182.db2.gz DUGMVCQJTJUUAB-JKSUJKDBSA-N 1 0 306.381 2.507 20 10 DFCDRO O=C(Nc1cccnc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000360055689 337084385 /nfs/dbraw/zinc/08/43/85/337084385.db2.gz DRSQKBQZSCISTN-UHFFFAOYSA-N 1 0 311.385 2.638 20 10 DFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179465738 337169555 /nfs/dbraw/zinc/16/95/55/337169555.db2.gz COLVUIVAAREVMC-HNNXBMFYSA-N 1 0 308.385 2.974 20 10 DFCDRO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1ccccc1O)C2 ZINC000179581430 337170345 /nfs/dbraw/zinc/17/03/45/337170345.db2.gz QNJIFPCKVBASKB-UHFFFAOYSA-N 1 0 324.380 2.907 20 10 DFCDRO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000226036229 337196260 /nfs/dbraw/zinc/19/62/60/337196260.db2.gz DKFJXJNWEUKGKD-CYBMUJFWSA-N 1 0 313.239 2.729 20 10 DFCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000188571806 337274121 /nfs/dbraw/zinc/27/41/21/337274121.db2.gz XDHQBEGDYJOMIB-CRAIPNDOSA-N 1 0 304.434 2.775 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)ccc1OC ZINC000190331150 337286672 /nfs/dbraw/zinc/28/66/72/337286672.db2.gz YDZWZYNOMPACGV-JFIYKMOQSA-N 1 0 305.418 2.889 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@]2(CO)CCc3ccccc32)cc1F ZINC000135909201 337453127 /nfs/dbraw/zinc/45/31/27/337453127.db2.gz LBCZZOOQXFOKCO-IBGZPJMESA-N 1 0 314.404 2.815 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)CC2 ZINC000527934547 337776884 /nfs/dbraw/zinc/77/68/84/337776884.db2.gz ROWZYZAORSPAPR-AAEUAGOBSA-N 1 0 311.307 2.969 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[C@H]([NH+](C)C)C2)c1O ZINC000251710655 341419398 /nfs/dbraw/zinc/41/93/98/341419398.db2.gz JJZVPZZNOIMQNH-ZUZCIYMTSA-N 1 0 310.825 2.630 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)CCCC[NH+](C)C ZINC000566537167 341561242 /nfs/dbraw/zinc/56/12/42/341561242.db2.gz ULDQAPOUTAKORV-UHFFFAOYSA-N 1 0 301.434 2.835 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000089726486 500853716 /nfs/dbraw/zinc/85/37/16/500853716.db2.gz VBQKBSXKDRFSHE-UHFFFAOYSA-N 1 0 319.430 2.616 20 10 DFCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1c(C)cc(C)cc1O)CC2 ZINC000284042902 518193118 /nfs/dbraw/zinc/19/31/18/518193118.db2.gz JYDXYYVXWRLPFF-GXTWGEPZSA-N 1 0 300.406 2.575 20 10 DFCDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268840302 519223923 /nfs/dbraw/zinc/22/39/23/519223923.db2.gz NABOTVDTWNXJBI-ZBFHGGJFSA-N 1 0 324.440 2.720 20 10 DFCDRO CC(=O)NC1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000237129509 519645251 /nfs/dbraw/zinc/64/52/51/519645251.db2.gz ULVDAAYVNVZEAI-UHFFFAOYSA-N 1 0 315.461 2.606 20 10 DFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000264964666 519655165 /nfs/dbraw/zinc/65/51/65/519655165.db2.gz BCKOOOJXAHKPHC-KRWDZBQOSA-N 1 0 303.450 2.584 20 10 DFCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000189402157 520201632 /nfs/dbraw/zinc/20/16/32/520201632.db2.gz GWURXRTYSGVEOV-CHWSQXEVSA-N 1 0 304.434 2.788 20 10 DFCDRO CC[N@H+](C)[C@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000236887896 520275492 /nfs/dbraw/zinc/27/54/92/520275492.db2.gz HWMYOPFDYGJLPF-SFHVURJKSA-N 1 0 311.429 2.621 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)cc1 ZINC000119057529 520286542 /nfs/dbraw/zinc/28/65/42/520286542.db2.gz HDAFWUOIIGZHPX-MAUKXSAKSA-N 1 0 306.450 2.989 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1 ZINC000364884831 520892746 /nfs/dbraw/zinc/89/27/46/520892746.db2.gz DCSAVZFFNZTYLM-SFHVURJKSA-N 1 0 317.433 2.607 20 10 DFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(OCC)ccc2O)C1 ZINC000125929545 521141150 /nfs/dbraw/zinc/14/11/50/521141150.db2.gz BOBLHLNFERJQTK-OCCSQVGLSA-N 1 0 307.390 2.612 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000180131355 521143629 /nfs/dbraw/zinc/14/36/29/521143629.db2.gz FHPSZBZYXWSSPA-MRXNPFEDSA-N 1 0 315.417 2.960 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccc(C)cc2)c1 ZINC000237045806 521151960 /nfs/dbraw/zinc/15/19/60/521151960.db2.gz CWHROVZTVNGLGM-GOSISDBHSA-N 1 0 301.386 2.923 20 10 DFCDRO C[NH2+][C@@H](C)CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000261653278 522325538 /nfs/dbraw/zinc/32/55/38/522325538.db2.gz FGROBTJRRRKQCN-NSHDSACASA-N 1 0 303.381 2.571 20 10 DFCDRO COC[C@@](C)(CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000267409277 522524086 /nfs/dbraw/zinc/52/40/86/522524086.db2.gz ZFGYVBAPILJZIB-LJQANCHMSA-N 1 0 315.413 2.936 20 10 DFCDRO CC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000182440601 523508567 /nfs/dbraw/zinc/50/85/67/523508567.db2.gz XBHILVAHNNZCGW-ZDUSSCGKSA-N 1 0 302.212 2.714 20 10 DFCDRO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2O)[C@H]1c1ccc(F)cc1 ZINC000120005279 523711877 /nfs/dbraw/zinc/71/18/77/523711877.db2.gz UISWYQSYUHMQHF-MAUKXSAKSA-N 1 0 314.360 2.593 20 10 DFCDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180526472 524022349 /nfs/dbraw/zinc/02/23/49/524022349.db2.gz FBNKTWSNENPFGL-CYBMUJFWSA-N 1 0 313.825 2.839 20 10 DFCDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000237738506 524090770 /nfs/dbraw/zinc/09/07/70/524090770.db2.gz MZEQKSAOSNDSAD-MRXNPFEDSA-N 1 0 311.429 2.824 20 10 DFCDRO Cc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)c(C)n1-c1cccc(C)c1 ZINC000237821984 524124470 /nfs/dbraw/zinc/12/44/70/524124470.db2.gz VSDJJNFWHUPQJA-SFHVURJKSA-N 1 0 311.429 2.870 20 10 DFCDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000182465345 524166992 /nfs/dbraw/zinc/16/69/92/524166992.db2.gz DKXPHIGXSVLFOD-KZULUSFZSA-N 1 0 317.385 2.794 20 10 DFCDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185419982 524167044 /nfs/dbraw/zinc/16/70/44/524167044.db2.gz DDQHJVCQGPJVKQ-APPDUMDISA-N 1 0 305.349 2.924 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)c3cnn(C)c3)CC2)cc1 ZINC000157405303 524403303 /nfs/dbraw/zinc/40/33/03/524403303.db2.gz DLJDFYVYHWBMQK-AWEZNQCLSA-N 1 0 314.433 2.748 20 10 DFCDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(F)ccc1O ZINC000180145039 524436236 /nfs/dbraw/zinc/43/62/36/524436236.db2.gz CYZCUEOYQNBYFE-LLVKDONJSA-N 1 0 312.385 2.876 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000182387798 524772301 /nfs/dbraw/zinc/77/23/01/524772301.db2.gz YGYYKKAZRLTJMF-GTNSWQLSSA-N 1 0 305.349 2.924 20 10 DFCDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131179853 524864885 /nfs/dbraw/zinc/86/48/85/524864885.db2.gz AMDHVJUYRIHKNK-BTYIYWSLSA-N 1 0 308.491 2.876 20 10 DFCDRO Cc1cc(Cl)cc(CN2CC[NH+](C3CCOCC3)CC2)c1O ZINC000180382297 524865543 /nfs/dbraw/zinc/86/55/43/524865543.db2.gz XTWFAKJRZTUOKD-UHFFFAOYSA-N 1 0 324.852 2.651 20 10 DFCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1O ZINC000180655631 524865637 /nfs/dbraw/zinc/86/56/37/524865637.db2.gz WJKHDVJEUDEWSM-XJKSGUPXSA-N 1 0 324.852 2.507 20 10 DFCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Cc2ccc(N)cc2)C1 ZINC000237548609 524883471 /nfs/dbraw/zinc/88/34/71/524883471.db2.gz BRFVNMIMGOCLLN-GJZGRUSLSA-N 1 0 317.477 2.684 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000156451021 525386947 /nfs/dbraw/zinc/38/69/47/525386947.db2.gz GLINZNJRGXWMTP-HOCLYGCPSA-N 1 0 322.424 2.882 20 10 DFCDRO C[C@@H]([NH2+]CCCOCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000180241969 525438792 /nfs/dbraw/zinc/43/87/92/525438792.db2.gz RAHOTBPRKWSGGT-OAHLLOKOSA-N 1 0 324.440 2.866 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)c1cccc(F)c1 ZINC000267160763 525530902 /nfs/dbraw/zinc/53/09/02/525530902.db2.gz FUHZRSYYXOGPLI-XIKOKIGWSA-N 1 0 301.361 2.972 20 10 DFCDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)/C=C/c1cccnc1 ZINC000365493986 525585617 /nfs/dbraw/zinc/58/56/17/525585617.db2.gz PUGVVBYALJSMKJ-IEXSPKMKSA-N 1 0 309.369 2.540 20 10 DFCDRO COc1cccc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1O ZINC000267184864 526037125 /nfs/dbraw/zinc/03/71/25/526037125.db2.gz LCDSMFMNTVSFLH-BDJLRTHQSA-N 1 0 305.349 2.752 20 10 DFCDRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)c(C)n1-c1ccccc1C ZINC000158524475 526246665 /nfs/dbraw/zinc/24/66/65/526246665.db2.gz IYHVWVAAKVNTMT-MRXNPFEDSA-N 1 0 311.429 2.966 20 10 DFCDRO O=C(C1CC[NH+](Cc2cc(F)ccc2O)CC1)N1CCCCC1 ZINC000179886933 526302985 /nfs/dbraw/zinc/30/29/85/526302985.db2.gz ISRYWWYSZRVLFP-UHFFFAOYSA-N 1 0 320.408 2.756 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000180042623 526350154 /nfs/dbraw/zinc/35/01/54/526350154.db2.gz PQISNTKYPXYPED-ZDUSSCGKSA-N 1 0 301.365 2.860 20 10 DFCDRO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000180115086 526762888 /nfs/dbraw/zinc/76/28/88/526762888.db2.gz KLVKOUZNTDOZBB-AWEZNQCLSA-N 1 0 318.396 2.652 20 10 DFCDRO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)C1CC1 ZINC000179912734 527528688 /nfs/dbraw/zinc/52/86/88/527528688.db2.gz IDWADLOMXQIGBG-UHFFFAOYSA-N 1 0 308.809 2.536 20 10 DFCDRO CCN(CCC[NH+](CC)CC)Cc1cc(OC)c(OC)cc1O ZINC000289455284 535506476 /nfs/dbraw/zinc/50/64/76/535506476.db2.gz NQVUMFZUCWAXNG-UHFFFAOYSA-N 1 0 324.465 2.963 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285356970 535751963 /nfs/dbraw/zinc/75/19/63/535751963.db2.gz BCCWRYUGOUNKIG-RHSMWYFYSA-N 1 0 320.433 2.574 20 10 DFCDRO CC[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000284411182 535930930 /nfs/dbraw/zinc/93/09/30/535930930.db2.gz QGVLLSYVGACHRU-NJAFHUGGSA-N 1 0 322.493 2.951 20 10 DFCDRO CN1CCc2cc(CNC(=O)c3ccc(C[NH+](C)C)cc3)ccc21 ZINC000366648575 535998933 /nfs/dbraw/zinc/99/89/33/535998933.db2.gz ZDNWHEQIPPKNEO-UHFFFAOYSA-N 1 0 323.440 2.671 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286263374 536148172 /nfs/dbraw/zinc/14/81/72/536148172.db2.gz BBCHTKANBMTUJH-DZGCQCFKSA-N 1 0 316.367 2.745 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3OC)CC2)cc1 ZINC000163901560 536670018 /nfs/dbraw/zinc/67/00/18/536670018.db2.gz FHUYJCZWPQINKK-MSOLQXFVSA-N 1 0 304.434 2.821 20 10 DFCDRO COCCOc1ncccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000272795683 536743082 /nfs/dbraw/zinc/74/30/82/536743082.db2.gz ANHPOWCHMFNOGZ-ZDUSSCGKSA-N 1 0 302.374 2.663 20 10 DFCDRO COc1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)cc1OC ZINC000079249341 185162291 /nfs/dbraw/zinc/16/22/91/185162291.db2.gz LTOLBBKCJYLWCO-UHFFFAOYSA-N 1 0 313.397 2.971 20 10 DFCDRO COc1cccc(C[NH+]2CCC(c3ccnn3C)CC2)c1O ZINC000092810486 185342814 /nfs/dbraw/zinc/34/28/14/185342814.db2.gz TXQTXGKDGUUROV-UHFFFAOYSA-N 1 0 301.390 2.514 20 10 DFCDRO C[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000066863486 398403528 /nfs/dbraw/zinc/40/35/28/398403528.db2.gz WWFDVQRSSRAZIZ-HNNXBMFYSA-N 1 0 303.450 2.585 20 10 DFCDRO C[C@@H]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2ccccc21 ZINC000592495592 398433437 /nfs/dbraw/zinc/43/34/37/398433437.db2.gz MRJMWSXAHHCFMZ-ZIAGYGMSSA-N 1 0 324.428 2.873 20 10 DFCDRO Cc1ccc2c(c1)N(C(=O)c1cnn3c1[C@@H](C[NH3+])CCC3)CCC2 ZINC000592532489 398443547 /nfs/dbraw/zinc/44/35/47/398443547.db2.gz IWWWEKUEMPCWHV-OAHLLOKOSA-N 1 0 324.428 2.621 20 10 DFCDRO COc1ccccc1C[N@H+](CCO)Cc1cc(C)ccc1O ZINC000091790662 398545969 /nfs/dbraw/zinc/54/59/69/398545969.db2.gz DVFQTOGZHKCMIZ-UHFFFAOYSA-N 1 0 301.386 2.704 20 10 DFCDRO COc1cccc(C[N@H+](CCCO)Cc2ccccc2)c1O ZINC000093102167 398620436 /nfs/dbraw/zinc/62/04/36/398620436.db2.gz GWRFYAOZKRCTAL-UHFFFAOYSA-N 1 0 301.386 2.785 20 10 DFCDRO Oc1ccc(Cl)cc1CN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000093513133 398639934 /nfs/dbraw/zinc/63/99/34/398639934.db2.gz SRGXEDYSOXBWRQ-UHFFFAOYSA-N 1 0 324.852 2.732 20 10 DFCDRO CCOc1cccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c1O ZINC000236921057 202072511 /nfs/dbraw/zinc/07/25/11/202072511.db2.gz ZZYFFJYKUCWFAT-UHFFFAOYSA-N 1 0 320.433 2.528 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1O ZINC000091832631 193114044 /nfs/dbraw/zinc/11/40/44/193114044.db2.gz CTPQRRNAWHYTIS-AWEZNQCLSA-N 1 0 317.389 2.862 20 10 DFCDRO COC(=O)CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C(C)C ZINC000079435119 399044981 /nfs/dbraw/zinc/04/49/81/399044981.db2.gz SHKRIZNXFAHEJX-UHFFFAOYSA-N 1 0 311.353 2.507 20 10 DFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000062506661 399172133 /nfs/dbraw/zinc/17/21/33/399172133.db2.gz IBRXTRJIISXCTA-OAHLLOKOSA-N 1 0 320.481 2.624 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)NCC[NH+](CC)CC ZINC000066687742 184424026 /nfs/dbraw/zinc/42/40/26/184424026.db2.gz XNQFNKZUZVJBOU-UHFFFAOYSA-N 1 0 307.438 2.656 20 10 DFCDRO COC[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174282868 285212051 /nfs/dbraw/zinc/21/20/51/285212051.db2.gz ZTRQANJZVANSKU-OLZOCXBDSA-N 1 0 314.376 2.881 20 10 DFCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000280964130 285223074 /nfs/dbraw/zinc/22/30/74/285223074.db2.gz KUGPSPFEFNYDHI-DOTOQJQBSA-N 1 0 306.450 2.725 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)CC2 ZINC000295950187 285396875 /nfs/dbraw/zinc/39/68/75/285396875.db2.gz 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C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccccc1O ZINC000271617587 427580710 /nfs/dbraw/zinc/58/07/10/427580710.db2.gz CDWBRDPOPQFNMG-LBPRGKRZSA-N 1 0 320.414 2.615 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CCO)c2ccccc2)c1O ZINC000271817030 427583087 /nfs/dbraw/zinc/58/30/87/427583087.db2.gz VDIPVXPCXSZHIV-QGZVFWFLSA-N 1 0 317.360 2.947 20 10 DFCDRO CO[C@@H](C)CC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000271809716 427583462 /nfs/dbraw/zinc/58/34/62/427583462.db2.gz AMBZDJDPBHMYAR-JTQLQIEISA-N 1 0 302.212 2.978 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000271870276 427591659 /nfs/dbraw/zinc/59/16/59/427591659.db2.gz XKCOBIDXUWIZFZ-DIFFPNOSSA-N 1 0 305.349 2.752 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)[C@H]2CCOC2)c1O ZINC000271873148 427592436 /nfs/dbraw/zinc/59/24/36/427592436.db2.gz YMBCKVQFABSRCZ-MNOVXSKESA-N 1 0 314.223 2.978 20 10 DFCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)CC2 ZINC000185317323 427633292 /nfs/dbraw/zinc/63/32/92/427633292.db2.gz DDHNAHVUHRPPPR-BXKDBHETSA-N 1 0 306.797 2.611 20 10 DFCDRO COCCCN1CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185314353 427633712 /nfs/dbraw/zinc/63/37/12/427633712.db2.gz HGOQYXMRTMTMTC-HNNXBMFYSA-N 1 0 306.450 2.852 20 10 DFCDRO C[C@H]([NH2+]CCCCCO)c1ccc(Br)cc1O ZINC000192923780 427636521 /nfs/dbraw/zinc/63/65/21/427636521.db2.gz SROFLMXHHBJACQ-JTQLQIEISA-N 1 0 302.212 2.968 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294685996 427648594 /nfs/dbraw/zinc/64/85/94/427648594.db2.gz BYVZOLHYLZWBRB-AWEZNQCLSA-N 1 0 304.434 2.814 20 10 DFCDRO Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000294695770 427649479 /nfs/dbraw/zinc/64/94/79/427649479.db2.gz AOLHXHFXZIBWHW-KRWDZBQOSA-N 1 0 315.392 2.516 20 10 DFCDRO CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287628470 427657992 /nfs/dbraw/zinc/65/79/92/427657992.db2.gz KDACBSMCHWIVAA-CQSZACIVSA-N 1 0 312.841 2.543 20 10 DFCDRO Cc1cc(O)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1C ZINC000294777366 427659701 /nfs/dbraw/zinc/65/97/01/427659701.db2.gz KUCALZBBTFGCCZ-JKSUJKDBSA-N 1 0 324.424 2.790 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000294951609 427666436 /nfs/dbraw/zinc/66/64/36/427666436.db2.gz JAQZIIHUUPYNIE-IYBDPMFKSA-N 1 0 318.461 2.911 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1O ZINC000295092087 427689466 /nfs/dbraw/zinc/68/94/66/427689466.db2.gz AENNBNIHUHVSJH-DAXOMENPSA-N 1 0 307.365 2.637 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)c(O)c1 ZINC000193498590 427694130 /nfs/dbraw/zinc/69/41/30/427694130.db2.gz OIVWXVFQZNRWMM-GXTWGEPZSA-N 1 0 307.390 2.612 20 10 DFCDRO CCN(CC)[C@H](C)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000279630039 427715867 /nfs/dbraw/zinc/71/58/67/427715867.db2.gz HWZGVEAANZBHGB-LLVKDONJSA-N 1 0 300.830 2.874 20 10 DFCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279761021 427717039 /nfs/dbraw/zinc/71/70/39/427717039.db2.gz DXJHDOGAMRJEQO-QGZVFWFLSA-N 1 0 314.429 2.514 20 10 DFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000279821288 427718767 /nfs/dbraw/zinc/71/87/67/427718767.db2.gz GHSFLDFOBZELSI-INWMFGNUSA-N 1 0 322.424 2.959 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000299174199 427759062 /nfs/dbraw/zinc/75/90/62/427759062.db2.gz VHVGYZAKGOWUFS-QGZVFWFLSA-N 1 0 316.420 2.833 20 10 DFCDRO CCO[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000194460452 427744108 /nfs/dbraw/zinc/74/41/08/427744108.db2.gz RTNYSATZAHSVQW-GOSISDBHSA-N 1 0 315.369 2.988 20 10 DFCDRO CCOc1cccc(CN2CCOC[C@H]2c2ccco2)c1O ZINC000369775525 428061588 /nfs/dbraw/zinc/06/15/88/428061588.db2.gz YAXDCQMIWNKHBG-AWEZNQCLSA-N 1 0 303.358 2.957 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000370212098 428156978 /nfs/dbraw/zinc/15/69/78/428156978.db2.gz HBQXJYMEXCTUHH-ZBFHGGJFSA-N 1 0 300.406 2.847 20 10 DFCDRO C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000370620072 428255339 /nfs/dbraw/zinc/25/53/39/428255339.db2.gz KGNQKZDQPCOHLD-OAHLLOKOSA-N 1 0 310.441 2.933 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1cc(Cl)ccc1O ZINC000371875827 428406664 /nfs/dbraw/zinc/40/66/64/428406664.db2.gz GOJOJMJPUKFGFV-YPMHNXCESA-N 1 0 320.824 2.709 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000277519684 273707999 /nfs/dbraw/zinc/70/79/99/273707999.db2.gz SHGZXZGEJWHQOV-MRXNPFEDSA-N 1 0 304.434 2.897 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCOC3)CC2)cc1 ZINC000360889859 428481783 /nfs/dbraw/zinc/48/17/83/428481783.db2.gz VUILJMNZMBVIFK-OAHLLOKOSA-N 1 0 304.434 2.680 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)c1 ZINC000373484355 428589137 /nfs/dbraw/zinc/58/91/37/428589137.db2.gz XLDISHDFOGNBEB-YJBOKZPZSA-N 1 0 321.417 2.561 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1OC ZINC000373370821 428557973 /nfs/dbraw/zinc/55/79/73/428557973.db2.gz SCLGBYXQFGJNKJ-QZTJIDSGSA-N 1 0 321.417 2.704 20 10 DFCDRO O=C1C[C@H]([NH2+]Cc2ccccc2O)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000374156540 428664997 /nfs/dbraw/zinc/66/49/97/428664997.db2.gz HGBGRBLTMQMZOT-KSZLIROESA-N 1 0 322.408 2.639 20 10 DFCDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000362234551 428670315 /nfs/dbraw/zinc/67/03/15/428670315.db2.gz IBOPLXYSAHODBF-DLBZAZTESA-N 1 0 302.418 2.676 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC000374269991 428672480 /nfs/dbraw/zinc/67/24/80/428672480.db2.gz PDTDHXYDBBJJGZ-QAPCUYQASA-N 1 0 321.417 2.609 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000362622345 428793407 /nfs/dbraw/zinc/79/34/07/428793407.db2.gz MUCUZLHOVFUTJN-MRXNPFEDSA-N 1 0 302.418 2.678 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)ccc21 ZINC000363504301 428933116 /nfs/dbraw/zinc/93/31/16/428933116.db2.gz HLWZYFXUXLKIBR-CGTJXYLNSA-N 1 0 300.446 2.972 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c(O)c1C ZINC000363868514 429130726 /nfs/dbraw/zinc/13/07/26/429130726.db2.gz NPTWJCIVIXJDQK-GJZGRUSLSA-N 1 0 314.433 2.672 20 10 DFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC2)C1 ZINC000443931934 429257983 /nfs/dbraw/zinc/25/79/83/429257983.db2.gz YHIYVAJHPGIXLV-UHFFFAOYSA-N 1 0 311.429 2.640 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000365524454 429334699 /nfs/dbraw/zinc/33/46/99/429334699.db2.gz ANBZNZZTVALIOT-GOEBONIOSA-N 1 0 316.405 2.528 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(C)cc1O ZINC000365581075 429345815 /nfs/dbraw/zinc/34/58/15/429345815.db2.gz LMDFLUSFVXBCHO-NVXWUHKLSA-N 1 0 304.434 2.605 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(C)cc1O ZINC000365580068 429346000 /nfs/dbraw/zinc/34/60/00/429346000.db2.gz CSMBOYRCXWFFOY-HOCLYGCPSA-N 1 0 314.433 2.754 20 10 DFCDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000290345740 275689922 /nfs/dbraw/zinc/68/99/22/275689922.db2.gz IKMLAKZZQOYHKI-YJBOKZPZSA-N 1 0 316.445 2.521 20 10 DFCDRO CCN(CC)c1ccc(CN2CCO[C@H]3CCOC[C@H]32)cc1F ZINC000366491950 429464742 /nfs/dbraw/zinc/46/47/42/429464742.db2.gz STIBOKXTPZUCAR-MSOLQXFVSA-N 1 0 322.424 2.662 20 10 DFCDRO CC[N@@H+]1CCc2c(cccc2NC(=O)c2cccc(O)c2O)C1 ZINC000366156827 429426951 /nfs/dbraw/zinc/42/69/51/429426951.db2.gz KPTYEOLYUHQCTE-UHFFFAOYSA-N 1 0 312.369 2.728 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000367306853 429617336 /nfs/dbraw/zinc/61/73/36/429617336.db2.gz BBPLZUGDALBEPY-GJZGRUSLSA-N 1 0 300.406 2.555 20 10 DFCDRO CCOc1cccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000289626222 276380191 /nfs/dbraw/zinc/38/01/91/276380191.db2.gz LUECUPVZCUCABI-ZBFHGGJFSA-N 1 0 304.434 2.850 20 10 DFCDRO CCCN(CCC)c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000367840119 429728045 /nfs/dbraw/zinc/72/80/45/429728045.db2.gz OWKKSFJNPXHXNO-BWTSREIZSA-N 1 0 302.462 2.983 20 10 DFCDRO C[C@H]1CCOCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000368131130 429793258 /nfs/dbraw/zinc/79/32/58/429793258.db2.gz JQUGJMVPFOYIAZ-JTQLQIEISA-N 1 0 300.196 2.766 20 10 DFCDRO C[C@@H]1CCOCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000368131131 429793772 /nfs/dbraw/zinc/79/37/72/429793772.db2.gz JQUGJMVPFOYIAZ-SNVBAGLBSA-N 1 0 300.196 2.766 20 10 DFCDRO CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(C)cc1O ZINC000369148514 429916035 /nfs/dbraw/zinc/91/60/35/429916035.db2.gz UVUSFXZZOMMVKM-MRXNPFEDSA-N 1 0 323.400 2.917 20 10 DFCDRO CCOc1ccc(CNc2ccc3c(c2)OCC[NH2+]C3)c(O)c1 ZINC000530182324 430101884 /nfs/dbraw/zinc/10/18/84/430101884.db2.gz TYTUCISLLFGKIK-UHFFFAOYSA-N 1 0 314.385 2.885 20 10 DFCDRO CC1(C)CN(C(=O)c2cn[nH]c2[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000643508177 430612162 /nfs/dbraw/zinc/61/21/62/430612162.db2.gz QOYMGXZFRHCBET-ZDUSSCGKSA-N 1 0 324.428 2.815 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccc(N2CCCCC2)cc1 ZINC000282510771 278280489 /nfs/dbraw/zinc/28/04/89/278280489.db2.gz YXTAKMMCYPNREJ-DAYGRLMNSA-N 1 0 315.461 2.995 20 10 DFCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000268834858 279530858 /nfs/dbraw/zinc/53/08/58/279530858.db2.gz NCCJTDDGAQQFBM-HOCLYGCPSA-N 1 0 301.434 2.558 20 10 DFCDRO O=C(CC[NH2+][C@@H]1CCc2cccc(O)c21)N1CCCCCC1 ZINC000297682856 303584530 /nfs/dbraw/zinc/58/45/30/303584530.db2.gz LOJQCLUEFNMHOL-OAHLLOKOSA-N 1 0 302.418 2.762 20 10 DFCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000102827171 332943218 /nfs/dbraw/zinc/94/32/18/332943218.db2.gz SUTWWDXQQDYDDV-HNNXBMFYSA-N 1 0 308.397 2.650 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000363778716 332246217 /nfs/dbraw/zinc/24/62/17/332246217.db2.gz CAKWJYIGYZOOJP-IPELMVKDSA-N 1 0 317.477 2.657 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)c1cc(F)ccc1O ZINC000293315912 335103741 /nfs/dbraw/zinc/10/37/41/335103741.db2.gz FKANPFGVGWVDJL-PSOPSSQASA-N 1 0 315.410 2.538 20 10 DFCDRO O=C(C=Cc1c[nH]cn1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000294118468 335120271 /nfs/dbraw/zinc/12/02/71/335120271.db2.gz KCSIKGZIYWEWBW-HVHJFMEUSA-N 1 0 308.385 2.829 20 10 DFCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000184614723 333199305 /nfs/dbraw/zinc/19/93/05/333199305.db2.gz BXSIBPCRSHLFOG-HNNXBMFYSA-N 1 0 317.477 2.879 20 10 DFCDRO COc1ccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1C ZINC000295100633 335132262 /nfs/dbraw/zinc/13/22/62/335132262.db2.gz KKMDJPZFOYSDPY-QGZVFWFLSA-N 1 0 303.377 2.836 20 10 DFCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H]2CCc3nccn3C2)c1 ZINC000364673760 333326075 /nfs/dbraw/zinc/32/60/75/333326075.db2.gz PWOCHGTZUARQGL-AWEZNQCLSA-N 1 0 315.417 2.682 20 10 DFCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCc2nccn2C1 ZINC000364674312 333326104 /nfs/dbraw/zinc/32/61/04/333326104.db2.gz RILDIHUBGTZGEF-LBPRGKRZSA-N 1 0 305.809 2.937 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1O ZINC000184685961 333364457 /nfs/dbraw/zinc/36/44/57/333364457.db2.gz AITUBBPSRBJQLV-AWEZNQCLSA-N 1 0 310.825 2.724 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](O)CC3)cc2)CC1 ZINC000296536744 335145992 /nfs/dbraw/zinc/14/59/92/335145992.db2.gz DRCRYCIRYZFXNJ-SFHVURJKSA-N 1 0 318.461 2.649 20 10 DFCDRO CCOc1cccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1O ZINC000272531184 334036661 /nfs/dbraw/zinc/03/66/61/334036661.db2.gz AQOQRQPRNUERJF-UHFFFAOYSA-N 1 0 319.323 2.680 20 10 DFCDRO CCN(CC)c1ccc(CN2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000274173938 334056173 /nfs/dbraw/zinc/05/61/73/334056173.db2.gz XASUIFMBNUHINS-KRWDZBQOSA-N 1 0 324.490 2.542 20 10 DFCDRO COC(=O)[C@@H](Cc1ccccc1)NCc1cc(C)c(C)cc1O ZINC000276539022 334081418 /nfs/dbraw/zinc/08/14/18/334081418.db2.gz XKHWXIKRVRTXKN-QGZVFWFLSA-N 1 0 313.397 2.883 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CC2)cc1 ZINC000278403492 334096276 /nfs/dbraw/zinc/09/62/76/334096276.db2.gz GZAURNITWCVQON-INIZCTEOSA-N 1 0 317.477 2.658 20 10 DFCDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc2ccccc2c1O ZINC000280939217 334121584 /nfs/dbraw/zinc/12/15/84/334121584.db2.gz SKBHEOWUQDLYPE-NUEKZKHPSA-N 1 0 315.413 2.841 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCn3ccnc3C2)c1O ZINC000366746908 334475320 /nfs/dbraw/zinc/47/53/20/334475320.db2.gz SJDGSBCCJUXBFC-LLVKDONJSA-N 1 0 321.808 2.603 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3nc(C)cn3C2)c1 ZINC000368314859 336842289 /nfs/dbraw/zinc/84/22/89/336842289.db2.gz GGASTCRUIOKWKH-CHWSQXEVSA-N 1 0 301.390 2.571 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccncn3)C2)c1 ZINC000368330590 336842531 /nfs/dbraw/zinc/84/25/31/336842531.db2.gz GWKKWAZLHJAZET-CABCVRRESA-N 1 0 312.417 2.810 20 10 DFCDRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2O)CC(=O)N1Cc1ccccc1 ZINC000368558923 336847667 /nfs/dbraw/zinc/84/76/67/336847667.db2.gz YURCMIZJCAJBDV-RHSMWYFYSA-N 1 0 310.397 2.671 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@]12CCCO2 ZINC000368707991 336851223 /nfs/dbraw/zinc/85/12/23/336851223.db2.gz UTCYWTHKTQAFII-ARFHVFGLSA-N 1 0 311.809 2.862 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(O)c1C ZINC000369901164 336873968 /nfs/dbraw/zinc/87/39/68/336873968.db2.gz FJASDIQPMCSMLK-RLFYNMQTSA-N 1 0 305.418 2.998 20 10 DFCDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccccc3O)C2)nn1 ZINC000371674097 336910416 /nfs/dbraw/zinc/91/04/16/336910416.db2.gz DFRXFMUSWZQUQL-LSDHHAIUSA-N 1 0 312.417 2.810 20 10 DFCDRO O=C(c1cccc(O)c1O)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000372491839 336932922 /nfs/dbraw/zinc/93/29/22/336932922.db2.gz CHEMWXZCIRWYBK-CQSZACIVSA-N 1 0 318.417 2.578 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3CCO)CC2)cc1 ZINC000372495931 336932977 /nfs/dbraw/zinc/93/29/77/336932977.db2.gz NRYIUKUDZUBKGR-DNVCBOLYSA-N 1 0 318.461 2.805 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000375256042 337006587 /nfs/dbraw/zinc/00/65/87/337006587.db2.gz LTIUBNXRYUIOPN-SJLPKXTDSA-N 1 0 318.461 2.888 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000375271481 337006973 /nfs/dbraw/zinc/00/69/73/337006973.db2.gz ZPDYHWPTHMQPOA-LBPRGKRZSA-N 1 0 301.390 2.784 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C3CCC(O)CC3)CC2)cc1 ZINC000305062208 337012131 /nfs/dbraw/zinc/01/21/31/337012131.db2.gz 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20 10 DFCDRO COc1cc(O)c(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1OC ZINC000378439747 337072723 /nfs/dbraw/zinc/07/27/23/337072723.db2.gz UMOVMBPWPRVFEZ-UHFFFAOYSA-N 1 0 317.389 2.512 20 10 DFCDRO CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC000378502480 337074690 /nfs/dbraw/zinc/07/46/90/337074690.db2.gz YWBQBHJWOADQBP-GOEBONIOSA-N 1 0 316.445 2.861 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1OC ZINC000360043002 337084450 /nfs/dbraw/zinc/08/44/50/337084450.db2.gz ZUKVQAABLMNVCF-JCURWCKSSA-N 1 0 321.417 2.703 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000175588617 337148199 /nfs/dbraw/zinc/14/81/99/337148199.db2.gz FKZCKUNFJZCNNU-LBPRGKRZSA-N 1 0 317.364 2.837 20 10 DFCDRO COc1ccc(N2CCC[N@@H+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000178983753 337166758 /nfs/dbraw/zinc/16/67/58/337166758.db2.gz OYZRDNLZJNITOJ-MSOLQXFVSA-N 1 0 304.434 2.511 20 10 DFCDRO Oc1ccc(F)cc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000180011232 337173118 /nfs/dbraw/zinc/17/31/18/337173118.db2.gz JQUQCYJUSXFKLI-INIZCTEOSA-N 1 0 309.381 2.691 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccccc1O ZINC000183552752 337192092 /nfs/dbraw/zinc/19/20/92/337192092.db2.gz CXHNAELIQSOMCL-QWHCGFSZSA-N 1 0 301.365 2.856 20 10 DFCDRO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(F)ccc1O ZINC000184989119 337202260 /nfs/dbraw/zinc/20/22/60/337202260.db2.gz NXJCGIQPXPPKLF-GFCCVEGCSA-N 1 0 312.348 2.963 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c(O)c1 ZINC000185553031 337248995 /nfs/dbraw/zinc/24/89/95/337248995.db2.gz RJNZIYCHAYJKQU-LSDHHAIUSA-N 1 0 314.433 2.754 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000230313521 337271331 /nfs/dbraw/zinc/27/13/31/337271331.db2.gz FTLXLNSFQBBJQW-OCCSQVGLSA-N 1 0 312.207 2.812 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)c1 ZINC000191909287 337301154 /nfs/dbraw/zinc/30/11/54/337301154.db2.gz XDUIUFIRBUHHEP-UHFFFAOYSA-N 1 0 316.405 2.529 20 10 DFCDRO Cc1nc(C2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)no1 ZINC000127552089 337421361 /nfs/dbraw/zinc/42/13/61/337421361.db2.gz LLUQXGVQEAGAAK-UHFFFAOYSA-N 1 0 318.396 2.963 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@]2(CO)CCc3ccccc32)cc1F ZINC000135909234 337453123 /nfs/dbraw/zinc/45/31/23/337453123.db2.gz LBCZZOOQXFOKCO-LJQANCHMSA-N 1 0 314.404 2.815 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249985712 337573056 /nfs/dbraw/zinc/57/30/56/337573056.db2.gz ZDEHUJCXSAKBMO-OUCADQQQSA-N 1 0 312.207 2.812 20 10 DFCDRO COC[C@]1([NH2+]Cc2cc(C)ccc2O)COc2ccccc2C1 ZINC000527801999 337764951 /nfs/dbraw/zinc/76/49/51/337764951.db2.gz XYNORUUMZPXFIM-IBGZPJMESA-N 1 0 313.397 2.811 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@H](CCO)C(C)(C)C)c1O ZINC000231075077 340621763 /nfs/dbraw/zinc/62/17/63/340621763.db2.gz QZLSJHKLJOMIDG-CYBMUJFWSA-N 1 0 301.814 2.941 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]CC23CC(C2)CO3)c1O ZINC000529661192 340766953 /nfs/dbraw/zinc/76/69/53/340766953.db2.gz AEDWIBMNWTYLEE-UHFFFAOYSA-N 1 0 312.207 2.732 20 10 DFCDRO CC[C@@H]([NH2+]CC1CC(O)C1)c1cc(Br)ccc1O ZINC000091525732 341426520 /nfs/dbraw/zinc/42/65/20/341426520.db2.gz KASAEUFLKPTEDQ-QEIKUCIBSA-N 1 0 314.223 2.966 20 10 DFCDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(OC)ccc1O ZINC000295189173 500735507 /nfs/dbraw/zinc/73/55/07/500735507.db2.gz XBQIGIFUDBVVIE-LLVKDONJSA-N 1 0 307.312 2.848 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC000367445726 518287149 /nfs/dbraw/zinc/28/71/49/518287149.db2.gz AJJSJKAOUZPTQN-KRWDZBQOSA-N 1 0 307.365 2.736 20 10 DFCDRO CC(C)CC[NH+]1CCC(CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000236713253 519652889 /nfs/dbraw/zinc/65/28/89/519652889.db2.gz OFNVNEBHVRYOPO-UHFFFAOYSA-N 1 0 317.477 2.686 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCN2CCOC2=O)cc1 ZINC000178586252 520285700 /nfs/dbraw/zinc/28/57/00/520285700.db2.gz RUIRKPVFMQDMDG-CQSZACIVSA-N 1 0 305.422 2.636 20 10 DFCDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)c2ccco2)c(O)c1 ZINC000266189755 520368718 /nfs/dbraw/zinc/36/87/18/520368718.db2.gz 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/nfs/dbraw/zinc/24/76/64/523247664.db2.gz JVVRHCDLWPHSDL-UHFFFAOYSA-N 1 0 306.450 2.508 20 10 DFCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)c(C)cc1O)CC2 ZINC000265099292 523671613 /nfs/dbraw/zinc/67/16/13/523671613.db2.gz XFEUQYWEUQFFDD-HNNXBMFYSA-N 1 0 303.402 2.784 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000179999854 524741863 /nfs/dbraw/zinc/74/18/63/524741863.db2.gz RXDNTGYNKPSVNW-CYBMUJFWSA-N 1 0 317.389 2.547 20 10 DFCDRO COc1ccc(O)c(CN2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)c1 ZINC000180413279 524746331 /nfs/dbraw/zinc/74/63/31/524746331.db2.gz IEWGAICJSPJRNV-JKSUJKDBSA-N 1 0 304.434 2.848 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000182101060 524752595 /nfs/dbraw/zinc/75/25/95/524752595.db2.gz OIKBWYKGOZHXNT-KSFYIVLOSA-N 1 0 319.426 2.610 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c1 ZINC000182338263 524760047 /nfs/dbraw/zinc/76/00/47/524760047.db2.gz BBQDSHAYWROEDT-CYBMUJFWSA-N 1 0 320.433 2.843 20 10 DFCDRO C[C@]1(O)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183116576 525312275 /nfs/dbraw/zinc/31/22/75/525312275.db2.gz PRMMQTUAMZUKQO-IBGZPJMESA-N 1 0 313.397 2.928 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(Br)cc1O ZINC000189322080 525503821 /nfs/dbraw/zinc/50/38/21/525503821.db2.gz VXNBFVKLCMMWKZ-SCVCMEIPSA-N 1 0 314.223 2.966 20 10 DFCDRO COc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1O ZINC000237213497 526020595 /nfs/dbraw/zinc/02/05/95/526020595.db2.gz BKQXXUDXBOMDRG-AWEZNQCLSA-N 1 0 307.777 2.877 20 10 DFCDRO COc1cccc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1O ZINC000267184873 526029435 /nfs/dbraw/zinc/02/94/35/526029435.db2.gz LCDSMFMNTVSFLH-ZBEGNZNMSA-N 1 0 305.349 2.752 20 10 DFCDRO COc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)c1O ZINC000365164729 526042378 /nfs/dbraw/zinc/04/23/78/526042378.db2.gz RVFSMXBHLLVTEE-CRAIPNDOSA-N 1 0 313.397 2.786 20 10 DFCDRO Cc1cc(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC000237643117 526083151 /nfs/dbraw/zinc/08/31/51/526083151.db2.gz 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/nfs/dbraw/zinc/75/99/13/526759913.db2.gz AOVHWFZENNYJIU-MRXNPFEDSA-N 1 0 314.433 2.821 20 10 DFCDRO Cc1ncc(CN2CC[NH+](Cc3cccc(C)c3O)CC2)s1 ZINC000180080808 527257828 /nfs/dbraw/zinc/25/78/28/527257828.db2.gz MDQCTNFRBYHCEZ-UHFFFAOYSA-N 1 0 317.458 2.783 20 10 DFCDRO Cn1cccc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000265669321 527398812 /nfs/dbraw/zinc/39/88/12/527398812.db2.gz VXCQQJKWBMEJCZ-UHFFFAOYSA-N 1 0 313.445 2.524 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000298463386 535686527 /nfs/dbraw/zinc/68/65/27/535686527.db2.gz OKKAPFPBLWOKFG-UHFFFAOYSA-N 1 0 309.417 2.865 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)cc1 ZINC000281644711 535765586 /nfs/dbraw/zinc/76/55/86/535765586.db2.gz PEQRNCKRXWPYGX-GJZGRUSLSA-N 1 0 303.450 2.804 20 10 DFCDRO CN(C)c1ccc(CN(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000289456593 535867427 /nfs/dbraw/zinc/86/74/27/535867427.db2.gz NUMYENVIFWDQHW-UHFFFAOYSA-N 1 0 301.434 2.909 20 10 DFCDRO CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1[O-] ZINC000287896199 535910010 /nfs/dbraw/zinc/91/00/10/535910010.db2.gz ZHUOGXWZSJGPKZ-WFASDCNBSA-N 1 0 312.841 2.543 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000287236441 535911830 /nfs/dbraw/zinc/91/18/30/535911830.db2.gz YLAYHZAQCSEYJK-PBHICJAKSA-N 1 0 324.490 2.618 20 10 DFCDRO COC[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)OC ZINC000272635469 536627325 /nfs/dbraw/zinc/62/73/25/536627325.db2.gz BSEIGHLOGZCRSI-QGZVFWFLSA-N 1 0 301.386 2.810 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@H](C)[C@H]3CCCO3)cc2)CC1 ZINC000294972743 536757789 /nfs/dbraw/zinc/75/77/89/536757789.db2.gz LDKYDMZXHMDHJJ-DNVCBOLYSA-N 1 0 318.461 2.959 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000272390432 536855792 /nfs/dbraw/zinc/85/57/92/536855792.db2.gz HBFAPOBDDHYLIT-UKRRQHHQSA-N 1 0 323.433 2.638 20 10 DFCDRO Oc1ccccc1C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826511157 608508554 /nfs/dbraw/zinc/50/85/54/608508554.db2.gz DYLXKTAGMISIMZ-MRXNPFEDSA-N 1 0 321.384 2.740 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3cnn(C)c3)CC2)c1 ZINC000092808990 185343075 /nfs/dbraw/zinc/34/30/75/185343075.db2.gz FRKYIMVQNDKLCD-UHFFFAOYSA-N 1 0 315.417 2.904 20 10 DFCDRO C[C@@H]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccccc21 ZINC000592495589 398433819 /nfs/dbraw/zinc/43/38/19/398433819.db2.gz MRJMWSXAHHCFMZ-KGLIPLIRSA-N 1 0 324.428 2.873 20 10 DFCDRO CC1(C)CN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2ccccc21 ZINC000592536367 398444415 /nfs/dbraw/zinc/44/44/15/398444415.db2.gz AXTUTACAXQRBAS-CYBMUJFWSA-N 1 0 324.428 2.657 20 10 DFCDRO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000090849894 398494919 /nfs/dbraw/zinc/49/49/19/398494919.db2.gz CYJMFVDNZCAYAQ-QFBILLFUSA-N 1 0 318.461 2.869 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000092073546 398556570 /nfs/dbraw/zinc/55/65/70/398556570.db2.gz MVVSAZPKGXYCGM-CYBMUJFWSA-N 1 0 301.390 2.894 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000093585978 398641015 /nfs/dbraw/zinc/64/10/15/398641015.db2.gz OVGRJSKKCLZJOU-CRAIPNDOSA-N 1 0 305.418 2.918 20 10 DFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOCC12CCCC2 ZINC000093840608 398647703 /nfs/dbraw/zinc/64/77/03/398647703.db2.gz XFIVNMOLZBMMRH-UHFFFAOYSA-N 1 0 316.445 2.668 20 10 DFCDRO CC(C)OC(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000072629273 191204760 /nfs/dbraw/zinc/20/47/60/191204760.db2.gz XLKGOAYFNJVMMU-INIZCTEOSA-N 1 0 321.417 2.715 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000091895850 193123962 /nfs/dbraw/zinc/12/39/62/193123962.db2.gz WOPUXRKVKBVUIX-UHFFFAOYSA-N 1 0 321.417 2.562 20 10 DFCDRO CCOc1cccc(C[N@H+](CCC(=O)OC)CC(C)C)c1O ZINC000091922722 193126995 /nfs/dbraw/zinc/12/69/95/193126995.db2.gz YPUQHTBIYBDAMS-UHFFFAOYSA-N 1 0 309.406 2.812 20 10 DFCDRO C[C@@H]([NH2+]CCN1CCOCC1(C)C)c1ccc(N(C)C)cc1 ZINC000178598157 296125513 /nfs/dbraw/zinc/12/55/13/296125513.db2.gz XCZGXXBKAVHIKV-OAHLLOKOSA-N 1 0 305.466 2.514 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000093272169 193223164 /nfs/dbraw/zinc/22/31/64/193223164.db2.gz DLCXNDWCEQXWTB-UHFFFAOYSA-N 1 0 312.417 2.511 20 10 DFCDRO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)OCO2 ZINC000093438420 193253388 /nfs/dbraw/zinc/25/33/88/193253388.db2.gz AKEOFHZQDOOVFX-CYBMUJFWSA-N 1 0 301.346 2.571 20 10 DFCDRO CC[C@@H]([NH2+]CCN(C)C)c1cc(Br)ccc1O ZINC000022222433 182313522 /nfs/dbraw/zinc/31/35/22/182313522.db2.gz QKMOHGYGWGYCPZ-GFCCVEGCSA-N 1 0 301.228 2.757 20 10 DFCDRO CC[C@H](C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106702842 194244865 /nfs/dbraw/zinc/24/48/65/194244865.db2.gz HKEXWRNWCHBHMG-AWEZNQCLSA-N 1 0 321.440 2.630 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)cc1 ZINC000271996656 129989682 /nfs/dbraw/zinc/98/96/82/129989682.db2.gz SBYIMNZNAYJJEF-KRWDZBQOSA-N 1 0 303.450 2.667 20 10 DFCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000272373225 130024663 /nfs/dbraw/zinc/02/46/63/130024663.db2.gz GXOQCVVMBLJWAW-CXAGYDPISA-N 1 0 304.409 2.980 20 10 DFCDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000272625458 130047248 /nfs/dbraw/zinc/04/72/48/130047248.db2.gz ZBMVHRWUBXLADZ-CQSZACIVSA-N 1 0 313.449 2.997 20 10 DFCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1OCCO ZINC000272842079 130068935 /nfs/dbraw/zinc/06/89/35/130068935.db2.gz JWALDOXGVHYHIF-CYBMUJFWSA-N 1 0 317.385 2.623 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1O ZINC000272877007 130071159 /nfs/dbraw/zinc/07/11/59/130071159.db2.gz PTILTSHSPHQOMX-YOEHRIQHSA-N 1 0 310.397 2.844 20 10 DFCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000273361017 130110960 /nfs/dbraw/zinc/11/09/60/130110960.db2.gz AGZILJKSPPTKIP-YOEHRIQHSA-N 1 0 318.461 2.642 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c(O)c1C ZINC000273388092 130116191 /nfs/dbraw/zinc/11/61/91/130116191.db2.gz KDAZEFHSRQZPHI-CVEARBPZSA-N 1 0 306.450 2.506 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1nncn1C ZINC000273558488 130136664 /nfs/dbraw/zinc/13/66/64/130136664.db2.gz HLMANNACZNDTDH-NWDGAFQWSA-N 1 0 300.406 2.811 20 10 DFCDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc2ccccc2c1O ZINC000273619956 130145534 /nfs/dbraw/zinc/14/55/34/130145534.db2.gz YSMNFKMOPASGQL-YVEFUNNKSA-N 1 0 311.385 2.663 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[NH+](C3CCC3)CC2)c1O ZINC000273789884 130167944 /nfs/dbraw/zinc/16/79/44/130167944.db2.gz VDPQECZFNNERIB-UHFFFAOYSA-N 1 0 310.825 2.724 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]CCCn2ccnc2C)c1O ZINC000273811642 130170223 /nfs/dbraw/zinc/17/02/23/130170223.db2.gz YZDXKDZOEDZBDD-UHFFFAOYSA-N 1 0 309.797 2.739 20 10 DFCDRO CC(=O)N(C[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1)C1CC1 ZINC000275852406 130399724 /nfs/dbraw/zinc/39/97/24/130399724.db2.gz WYPWIARFOVKJCM-LJQANCHMSA-N 1 0 315.461 2.728 20 10 DFCDRO CCCOc1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)c(O)c1 ZINC000280592465 130807813 /nfs/dbraw/zinc/80/78/13/130807813.db2.gz IQVSVTBZTWBONJ-OAQYLSRUSA-N 1 0 311.447 2.572 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCC(O)CC2)c(O)c1 ZINC000284103068 131049528 /nfs/dbraw/zinc/04/95/28/131049528.db2.gz MWFYIXSGNJGLTB-HNNXBMFYSA-N 1 0 306.450 2.506 20 10 DFCDRO Cn1ccnc1[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CCOCC1 ZINC000284476271 131084210 /nfs/dbraw/zinc/08/42/10/131084210.db2.gz BBBJLNUNTPJLNJ-INIZCTEOSA-N 1 0 319.380 2.522 20 10 DFCDRO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000284572068 131093257 /nfs/dbraw/zinc/09/32/57/131093257.db2.gz NDRUTPNXUIWACA-ZWKOTPCHSA-N 1 0 313.397 2.641 20 10 DFCDRO CO[C@H]1C[C@@H](C[N@H+](C)Cc2c(O)ccc3ccccc32)N(C)C1 ZINC000284832359 131114535 /nfs/dbraw/zinc/11/45/35/131114535.db2.gz OYPTYMMWZLLZHM-HOTGVXAUSA-N 1 0 314.429 2.696 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c(O)c1 ZINC000284966634 131127390 /nfs/dbraw/zinc/12/73/90/131127390.db2.gz FQPCWQJVBBPNJE-ZDUSSCGKSA-N 1 0 311.447 2.627 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000285815347 131203770 /nfs/dbraw/zinc/20/37/70/131203770.db2.gz WRECTXIBRMZGIK-IHXNAJNRSA-N 1 0 302.418 2.504 20 10 DFCDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000286988594 131259191 /nfs/dbraw/zinc/25/91/91/131259191.db2.gz JLZLYFGIUJYSDK-UWVGGRQHSA-N 1 0 301.228 2.755 20 10 DFCDRO CSC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000289233021 131367751 /nfs/dbraw/zinc/36/77/51/131367751.db2.gz KJLWCALASXNWJQ-UHFFFAOYSA-N 1 0 324.465 2.772 20 10 DFCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000289336189 131375034 /nfs/dbraw/zinc/37/50/34/131375034.db2.gz HFBSXWYEHGINBY-HNNXBMFYSA-N 1 0 306.406 2.801 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncccc2N(C)C)c1 ZINC000289576706 131397141 /nfs/dbraw/zinc/39/71/41/131397141.db2.gz BGYJRGHYKSOFHI-GFCCVEGCSA-N 1 0 301.390 2.713 20 10 DFCDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000291912102 131608715 /nfs/dbraw/zinc/60/87/15/131608715.db2.gz MYGXAQZWEQCSPB-GJZGRUSLSA-N 1 0 303.450 2.852 20 10 DFCDRO CNC(=O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296559936 131970868 /nfs/dbraw/zinc/97/08/68/131970868.db2.gz VDMHKSNLKFWYMG-UHFFFAOYSA-N 1 0 317.458 2.610 20 10 DFCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000219903238 542879159 /nfs/dbraw/zinc/87/91/59/542879159.db2.gz GXPPUODRLBCHTK-JOYOIKCWSA-N 1 0 300.196 2.812 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccc(CO)c2)c1O ZINC000230934381 542893426 /nfs/dbraw/zinc/89/34/26/542893426.db2.gz OQVZISIIKFAHAN-UHFFFAOYSA-N 1 0 307.777 2.836 20 10 DFCDRO CN1CCCc2cc(C[NH2+]Cc3cnn(CC(F)F)c3)ccc21 ZINC000293010227 543018467 /nfs/dbraw/zinc/01/84/67/543018467.db2.gz ONCVJIBYEKAXEW-UHFFFAOYSA-N 1 0 320.387 2.820 20 10 DFCDRO OCC1CCN(c2ccc(C[NH2+]Cc3ccco3)cc2)CC1 ZINC000067247436 425909395 /nfs/dbraw/zinc/90/93/95/425909395.db2.gz LZFFSROKYRTVII-UHFFFAOYSA-N 1 0 300.402 2.778 20 10 DFCDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)cc1 ZINC000109772983 426032753 /nfs/dbraw/zinc/03/27/53/426032753.db2.gz ZEGXYCGBCPTIOG-ZDUSSCGKSA-N 1 0 314.385 2.860 20 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426322054 /nfs/dbraw/zinc/32/20/54/426322054.db2.gz DODXCXXSQMHMTM-CQSZACIVSA-N 1 0 321.804 2.917 20 10 DFCDRO Cc1ncsc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121322158 426334202 /nfs/dbraw/zinc/33/42/02/426334202.db2.gz PUCJTENWJWACPQ-UHFFFAOYSA-N 1 0 317.458 2.920 20 10 DFCDRO CC[C@@](C)([NH2+]Cc1cc2c(cc1O)OCO2)c1nccs1 ZINC000152645089 426348952 /nfs/dbraw/zinc/34/89/52/426348952.db2.gz BUQCVBFXNBQFMC-OAHLLOKOSA-N 1 0 306.387 2.992 20 10 DFCDRO CCCOc1ccc(C[NH+]2CCC(n3cncn3)CC2)c(O)c1 ZINC000092648065 426351482 /nfs/dbraw/zinc/35/14/82/426351482.db2.gz RTDPWLDOFPSZME-UHFFFAOYSA-N 1 0 316.405 2.610 20 10 DFCDRO Oc1cc2c(cc1CN1CCCC[C@@H]([NH+]3CCCC3)C1)OCO2 ZINC000092785828 426353270 /nfs/dbraw/zinc/35/32/70/426353270.db2.gz XOGXZUNRTKBVAV-OAHLLOKOSA-N 1 0 318.417 2.571 20 10 DFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000152814568 426354954 /nfs/dbraw/zinc/35/49/54/426354954.db2.gz ZKZGLTCCICFPTJ-MRXNPFEDSA-N 1 0 323.396 2.643 20 10 DFCDRO 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/nfs/dbraw/zinc/15/23/96/427152396.db2.gz YDZWZYNOMPACGV-LZLYRXPVSA-N 1 0 305.418 2.889 20 10 DFCDRO CCN(C)C(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000269279415 427161630 /nfs/dbraw/zinc/16/16/30/427161630.db2.gz OIMKPWMTIHMQKD-UHFFFAOYSA-N 1 0 303.450 2.585 20 10 DFCDRO C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1[NH+](C)C ZINC000251894238 427167178 /nfs/dbraw/zinc/16/71/78/427167178.db2.gz VVDGYYWAAPXXBT-ZWNOBZJWSA-N 1 0 313.239 2.537 20 10 DFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COCC(F)(F)F ZINC000292554821 427192473 /nfs/dbraw/zinc/19/24/73/427192473.db2.gz HPVPPOCFLYBULT-CYBMUJFWSA-N 1 0 321.339 2.544 20 10 DFCDRO CN(C)c1ccc(C[NH2+]CCn2cc(Br)cn2)cc1 ZINC000285349438 427210248 /nfs/dbraw/zinc/21/02/48/427210248.db2.gz AOGMDKNDZPVMHS-UHFFFAOYSA-N 1 0 323.238 2.501 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1O ZINC000293094712 427215142 /nfs/dbraw/zinc/21/51/42/427215142.db2.gz PVPPPLHJSKVMFV-MRXNPFEDSA-N 1 0 309.381 2.621 20 10 DFCDRO Nc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000296815818 427237846 /nfs/dbraw/zinc/23/78/46/427237846.db2.gz AGBHULZNFMUONG-SFHVURJKSA-N 1 0 309.413 2.550 20 10 DFCDRO CCOCC[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000277611004 427259766 /nfs/dbraw/zinc/25/97/66/427259766.db2.gz XXVZGEDSRRJUTC-GOSISDBHSA-N 1 0 306.450 2.505 20 10 DFCDRO CCc1noc(C)c1C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000293617385 427381982 /nfs/dbraw/zinc/38/19/82/427381982.db2.gz KLAAINJWPXDWJD-UHFFFAOYSA-N 1 0 306.362 2.558 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](C)[C@@H]3CCOC3)cc2)CC1 ZINC000297330307 427403102 /nfs/dbraw/zinc/40/31/02/427403102.db2.gz AERLFHWOBUIUAJ-QGZVFWFLSA-N 1 0 304.434 2.523 20 10 DFCDRO COC[C@H]1CC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000293678774 427404159 /nfs/dbraw/zinc/40/41/59/427404159.db2.gz PNANYVADMRVCTJ-GFCCVEGCSA-N 1 0 300.196 2.684 20 10 DFCDRO CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1[O-] ZINC000286027882 427404786 /nfs/dbraw/zinc/40/47/86/427404786.db2.gz KADZUBIOXFNTOX-RDJZCZTQSA-N 1 0 324.440 2.809 20 10 DFCDRO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297504898 427407285 /nfs/dbraw/zinc/40/72/85/427407285.db2.gz CEVGFEMRIWQBPE-ZDUSSCGKSA-N 1 0 306.406 2.884 20 10 DFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1C ZINC000278112380 427408717 /nfs/dbraw/zinc/40/87/17/427408717.db2.gz BMFSGQBOYVDKCZ-MRXNPFEDSA-N 1 0 314.433 2.501 20 10 DFCDRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297542494 427412279 /nfs/dbraw/zinc/41/22/79/427412279.db2.gz FDXUALKDZMYQGG-SJORKVTESA-N 1 0 324.424 2.669 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)c1 ZINC000191739541 427415168 /nfs/dbraw/zinc/41/51/68/427415168.db2.gz IFBVIQGSHRUYBW-HNNXBMFYSA-N 1 0 303.431 2.724 20 10 DFCDRO CC[N@H+](Cc1cnn(CCOC)c1)Cc1ccc(N(C)C)cc1 ZINC000271003445 427366659 /nfs/dbraw/zinc/36/66/59/427366659.db2.gz MMJWAVQXZDXUSD-UHFFFAOYSA-N 1 0 316.449 2.618 20 10 DFCDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(C)c3O)C2)n(C)n1 ZINC000278776711 427448306 /nfs/dbraw/zinc/44/83/06/427448306.db2.gz VCILYEJTKAEFCG-MRXNPFEDSA-N 1 0 314.433 2.501 20 10 DFCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000278784903 427451313 /nfs/dbraw/zinc/45/13/13/427451313.db2.gz ZPTSDQGBICXDJJ-IFXJQAMLSA-N 1 0 313.397 2.689 20 10 DFCDRO C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(F)ccc1O ZINC000278814879 427464925 /nfs/dbraw/zinc/46/49/25/427464925.db2.gz ZUZKSFDYOZFXHZ-ZIAGYGMSSA-N 1 0 310.413 2.683 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000271246136 427466708 /nfs/dbraw/zinc/46/67/08/427466708.db2.gz VPMRASVHHPVPJE-MRXNPFEDSA-N 1 0 319.376 2.623 20 10 DFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000271260418 427471804 /nfs/dbraw/zinc/47/18/04/427471804.db2.gz GZTKRYQSTKBHPR-MRXNPFEDSA-N 1 0 318.465 2.556 20 10 DFCDRO C[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H](C)[NH3+] ZINC000192111687 427484190 /nfs/dbraw/zinc/48/41/90/427484190.db2.gz HNXAUYUUKGFGIN-CABCVRRESA-N 1 0 303.450 2.522 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CCS[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278166039 427425472 /nfs/dbraw/zinc/42/54/72/427425472.db2.gz FEXZGDJMBXNNAX-ZJUUUORDSA-N 1 0 312.391 2.635 20 10 DFCDRO CCOc1cccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1O ZINC000271170250 427432938 /nfs/dbraw/zinc/43/29/38/427432938.db2.gz POKWJVMXWILKDK-MRXNPFEDSA-N 1 0 304.434 2.851 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278428484 427440054 /nfs/dbraw/zinc/44/00/54/427440054.db2.gz JDSRYDCGMOTREG-CABCVRRESA-N 1 0 314.433 2.754 20 10 DFCDRO COc1c([O-])c(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278538224 427442042 /nfs/dbraw/zinc/44/20/42/427442042.db2.gz WRRGGODBQJSLAC-VXGBXAGGSA-N 1 0 324.377 2.604 20 10 DFCDRO CSC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000278697355 427445090 /nfs/dbraw/zinc/44/50/90/427445090.db2.gz QOFADFXEAYWYNK-UHFFFAOYSA-N 1 0 310.438 2.648 20 10 DFCDRO CN1CCCc2cc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)ccc21 ZINC000278643922 427445877 /nfs/dbraw/zinc/44/58/77/427445877.db2.gz HRKGKGWKKXWLLW-JQHSSLGASA-N 1 0 300.446 2.972 20 10 DFCDRO COc1cc(Cl)cc(CN2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1O ZINC000184698071 427520082 /nfs/dbraw/zinc/52/00/82/427520082.db2.gz NPZLIHZCRFLVBT-UONOGXRCSA-N 1 0 310.825 2.723 20 10 DFCDRO CCCCC[N@H+](CC(N)=O)Cc1cc(Cl)cc(OC)c1O ZINC000184744252 427529700 /nfs/dbraw/zinc/52/97/00/427529700.db2.gz NZHGZFDGSNOLNF-UHFFFAOYSA-N 1 0 314.813 2.532 20 10 DFCDRO C[C@H]([NH2+]CCn1ccnc1)c1cc(Br)ccc1O ZINC000184868298 427555574 /nfs/dbraw/zinc/55/55/74/427555574.db2.gz TVZNRSBWALKLLT-JTQLQIEISA-N 1 0 310.195 2.702 20 10 DFCDRO CCc1nc(CC[NH2+][C@H](C)c2ccc(N(C)CC)cc2)no1 ZINC000271460572 427548453 /nfs/dbraw/zinc/54/84/53/427548453.db2.gz JXDJTKNQVNALGB-CYBMUJFWSA-N 1 0 302.422 2.981 20 10 DFCDRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Cl)ccc1O ZINC000184916905 427563368 /nfs/dbraw/zinc/56/33/68/427563368.db2.gz URMDJWUXEZABGW-JTQLQIEISA-N 1 0 308.765 2.719 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1 ZINC000184915327 427564700 /nfs/dbraw/zinc/56/47/00/427564700.db2.gz PRIAIHOGZWBDMS-WBVHZDCISA-N 1 0 306.450 2.708 20 10 DFCDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000279128880 427567560 /nfs/dbraw/zinc/56/75/60/427567560.db2.gz QTXFKDWOOYGKAH-UWVGGRQHSA-N 1 0 302.212 2.966 20 10 DFCDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(Br)cc1O ZINC000279128882 427568446 /nfs/dbraw/zinc/56/84/46/427568446.db2.gz QTXFKDWOOYGKAH-VHSXEESVSA-N 1 0 302.212 2.966 20 10 DFCDRO COc1cccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000271558042 427580057 /nfs/dbraw/zinc/58/00/57/427580057.db2.gz RTZLAGDFDBZJRP-AWEZNQCLSA-N 1 0 307.777 2.877 20 10 DFCDRO COC(=O)c1coc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC000263821080 427580891 /nfs/dbraw/zinc/58/08/91/427580891.db2.gz UOXOOOFICXVSTG-UHFFFAOYSA-N 1 0 302.374 2.764 20 10 DFCDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000271688618 427580977 /nfs/dbraw/zinc/58/09/77/427580977.db2.gz JVLVPAXHBBMIMW-MRXNPFEDSA-N 1 0 319.426 2.907 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)C[C@H]1O ZINC000271776692 427585231 /nfs/dbraw/zinc/58/52/31/427585231.db2.gz DKVDWOFRNQQHRF-GXFFZTMASA-N 1 0 314.223 2.666 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000185052343 427586179 /nfs/dbraw/zinc/58/61/79/427586179.db2.gz USADEIVQOVJKBM-GFCCVEGCSA-N 1 0 307.390 2.737 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000271859796 427590929 /nfs/dbraw/zinc/59/09/29/427590929.db2.gz TUXILZLLODHPSM-GTNSWQLSSA-N 1 0 305.349 2.924 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000271870280 427591990 /nfs/dbraw/zinc/59/19/90/427591990.db2.gz XKCOBIDXUWIZFZ-PIGZYNQJSA-N 1 0 305.349 2.752 20 10 DFCDRO CCC[N@H+](CCO)Cc1cc(Br)cc(C)c1O ZINC000271836813 427593265 /nfs/dbraw/zinc/59/32/65/427593265.db2.gz SFAHLEKLUSEMIN-UHFFFAOYSA-N 1 0 302.212 2.667 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000271859788 427593538 /nfs/dbraw/zinc/59/35/38/427593538.db2.gz TUXILZLLODHPSM-APPDUMDISA-N 1 0 305.349 2.924 20 10 DFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(CCC(N)=O)CC2)c1O ZINC000271869793 427593645 /nfs/dbraw/zinc/59/36/45/427593645.db2.gz RUPMFUCOUGHZTL-UHFFFAOYSA-N 1 0 310.825 2.832 20 10 DFCDRO C[C@H]([NH2+]C1CCOCC1)c1ccc(Br)cc1O ZINC000185078903 427593699 /nfs/dbraw/zinc/59/36/99/427593699.db2.gz XGVMHLQOJHJVGR-VIFPVBQESA-N 1 0 300.196 2.984 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)c(O)c2)c1 ZINC000185300747 427630357 /nfs/dbraw/zinc/63/03/57/427630357.db2.gz ATZXCBRLHKNCHH-LLVKDONJSA-N 1 0 303.358 2.966 20 10 DFCDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185462800 427658297 /nfs/dbraw/zinc/65/82/97/427658297.db2.gz HLBRAUJNJZJGAG-ZANVPECISA-N 1 0 302.212 2.822 20 10 DFCDRO COc1cc(O)c(CNc2ccc3c([nH+]2)CCC3)cc1OC ZINC000294808178 427660057 /nfs/dbraw/zinc/66/00/57/427660057.db2.gz JAXCNAGSSRBZNT-UHFFFAOYSA-N 1 0 300.358 2.905 20 10 DFCDRO Cc1cccnc1CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000294983315 427670227 /nfs/dbraw/zinc/67/02/27/427670227.db2.gz JZHICLQDBSGIOH-UHFFFAOYSA-N 1 0 300.358 2.547 20 10 DFCDRO CC(C)OC[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298725521 427690353 /nfs/dbraw/zinc/69/03/53/427690353.db2.gz MQAHCLYQZRCGGU-GOSISDBHSA-N 1 0 306.450 2.503 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cc1OC ZINC000279868012 427725066 /nfs/dbraw/zinc/72/50/66/427725066.db2.gz SXUJTZPGOBZDRO-INIZCTEOSA-N 1 0 309.406 2.656 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cc1OC ZINC000279868015 427725693 /nfs/dbraw/zinc/72/56/93/427725693.db2.gz SXUJTZPGOBZDRO-MRXNPFEDSA-N 1 0 309.406 2.656 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H](C(=O)OC)C3(CCC3)C2)c1O ZINC000369650617 428025145 /nfs/dbraw/zinc/02/51/45/428025145.db2.gz VLPGUJKSQYMADH-CQSZACIVSA-N 1 0 319.401 2.566 20 10 DFCDRO CN(C)c1ccc(C2=CC[N@H+](CCO[C@@H]3CCCCO3)C2)cc1 ZINC000369728741 428047096 /nfs/dbraw/zinc/04/70/96/428047096.db2.gz CUGDGLLADVQQQN-LJQANCHMSA-N 1 0 316.445 2.995 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cncn2)cc1 ZINC000359977067 428101221 /nfs/dbraw/zinc/10/12/21/428101221.db2.gz JHIBXZCKVDPAJZ-SFHVURJKSA-N 1 0 313.449 2.789 20 10 DFCDRO CC(C)[C@H](C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)[NH+](C)C ZINC000370650809 428265279 /nfs/dbraw/zinc/26/52/79/428265279.db2.gz NICFKMYRNWGSGO-GOSISDBHSA-N 1 0 315.461 2.564 20 10 DFCDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)n1 ZINC000371415692 428387810 /nfs/dbraw/zinc/38/78/10/428387810.db2.gz CZXVORWVVQDOIO-HNNXBMFYSA-N 1 0 320.824 2.919 20 10 DFCDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000371530226 428394646 /nfs/dbraw/zinc/39/46/46/428394646.db2.gz WZQVGVDJPGQDQT-HNNXBMFYSA-N 1 0 306.381 2.508 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cc1C ZINC000372417512 428445804 /nfs/dbraw/zinc/44/58/04/428445804.db2.gz WRUONEXKPDNERL-QGZVFWFLSA-N 1 0 316.445 2.986 20 10 DFCDRO CCCC(=O)N1CCC[N@H+](Cc2cccc(OCC)c2O)CC1 ZINC000372427022 428447160 /nfs/dbraw/zinc/44/71/60/428447160.db2.gz AKXWCBMAFPASAN-UHFFFAOYSA-N 1 0 320.433 2.625 20 10 DFCDRO CCN(CC)c1ccc(CN2CC[S@](=O)CC[C@@H]2C)cc1 ZINC000373038782 428514947 /nfs/dbraw/zinc/51/49/47/428514947.db2.gz WQEQJIMCUUUJKF-YCRPNKLZSA-N 1 0 308.491 2.876 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@@]2(CCCOC2)O1 ZINC000373464310 428583123 /nfs/dbraw/zinc/58/31/23/428583123.db2.gz DSUWAQJSDDNREQ-MAUKXSAKSA-N 1 0 321.417 2.561 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000373477845 428588067 /nfs/dbraw/zinc/58/80/67/428588067.db2.gz CCFXCEKDXDTVJH-MSOLQXFVSA-N 1 0 304.434 2.523 20 10 DFCDRO OC[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000373813649 428649423 /nfs/dbraw/zinc/64/94/23/428649423.db2.gz WODCRUVGRRXTHZ-ACJLOTCBSA-N 1 0 301.361 2.917 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000373974911 428656582 /nfs/dbraw/zinc/65/65/82/428656582.db2.gz FZBJRWCAQCHWHK-SUNYJGFJSA-N 1 0 321.417 2.559 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]2[C@H]2CCC[N@H+]2C)c1O ZINC000374189807 428667679 /nfs/dbraw/zinc/66/76/79/428667679.db2.gz LHZWYVNRFNAYFX-SJORKVTESA-N 1 0 320.408 2.793 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c1O ZINC000374189804 428668448 /nfs/dbraw/zinc/66/84/48/428668448.db2.gz LHZWYVNRFNAYFX-IAGOWNOFSA-N 1 0 320.408 2.793 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1OC ZINC000374251860 428669903 /nfs/dbraw/zinc/66/99/03/428669903.db2.gz ZUNNSDZFDOHJLM-UKRRQHHQSA-N 1 0 321.417 2.941 20 10 DFCDRO CN(C)c1ccc(C2=CC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000374325657 428674067 /nfs/dbraw/zinc/67/40/67/428674067.db2.gz PVBVPMVUJXAPHT-LJQANCHMSA-N 1 0 321.424 2.678 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)Cc3cc[nH]n3)CC2)cc1 ZINC000362388503 428728555 /nfs/dbraw/zinc/72/85/55/428728555.db2.gz FWFIBYXUEWKVRZ-UHFFFAOYSA-N 1 0 300.406 2.519 20 10 DFCDRO Oc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000374891936 428778205 /nfs/dbraw/zinc/77/82/05/428778205.db2.gz HDHGPBVRFXVORN-CJNGLKHVSA-N 1 0 305.324 2.978 20 10 DFCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc(N(C)C)n1C ZINC000419722929 428940773 /nfs/dbraw/zinc/94/07/73/428940773.db2.gz FEONMQSJPGRWPR-UHFFFAOYSA-N 1 0 311.433 2.576 20 10 DFCDRO C[C@@H]1[N@H+](Cc2cc3c(cc2O)OCO3)CCC12CCOCC2 ZINC000363864147 428999597 /nfs/dbraw/zinc/99/95/97/428999597.db2.gz CKDACIPIEQELGY-LBPRGKRZSA-N 1 0 305.374 2.512 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000364074913 429167889 /nfs/dbraw/zinc/16/78/89/429167889.db2.gz UUEOLFNAGHWAQF-MRXNPFEDSA-N 1 0 302.418 2.678 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCc2nnc(N(C)C)cc2C1 ZINC000366692402 429496528 /nfs/dbraw/zinc/49/65/28/429496528.db2.gz SAERKPGBASUODB-MRXNPFEDSA-N 1 0 312.417 2.758 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1O ZINC000367039830 429563489 /nfs/dbraw/zinc/56/34/89/429563489.db2.gz AUIJWWMBFHMBKP-NVXWUHKLSA-N 1 0 324.424 2.886 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000367472803 429657178 /nfs/dbraw/zinc/65/71/78/429657178.db2.gz WBDMCTOLZXTBKM-CQSZACIVSA-N 1 0 315.417 2.904 20 10 DFCDRO CC[C@H](COC)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000268881146 287889384 /nfs/dbraw/zinc/88/93/84/287889384.db2.gz RMXHMRXPGJLDBX-IIAWOOMASA-N 1 0 324.440 2.954 20 10 DFCDRO CCOc1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c(O)c1 ZINC000527811318 429803952 /nfs/dbraw/zinc/80/39/52/429803952.db2.gz QTKZEFLZZNCHFS-UHFFFAOYSA-N 1 0 320.433 2.529 20 10 DFCDRO COCCn1cc2c(n1)[C@@H]([NH2+][C@H](C)c1ccccc1O)CCC2 ZINC000368187397 429806079 /nfs/dbraw/zinc/80/60/79/429806079.db2.gz FWLXYNHLSFHXTM-CJNGLKHVSA-N 1 0 315.417 2.963 20 10 DFCDRO CCc1noc([C@H]2C[C@H](O)C[N@H+]2[C@H](CC)c2ccccc2O)n1 ZINC000368040704 429773589 /nfs/dbraw/zinc/77/35/89/429773589.db2.gz SMXAVGUJJPVHPZ-IACUBPJLSA-N 1 0 317.389 2.597 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000368824249 429896460 /nfs/dbraw/zinc/89/64/60/429896460.db2.gz KYFUEUUABITYOL-INIZCTEOSA-N 1 0 312.417 2.758 20 10 DFCDRO COCCn1ncc2c1[C@@H]([NH2+]Cc1cc(C)ccc1O)CCC2 ZINC000368832147 429897130 /nfs/dbraw/zinc/89/71/30/429897130.db2.gz BXNYUBRYBWKHOC-INIZCTEOSA-N 1 0 315.417 2.711 20 10 DFCDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC2(CCOCC2)O1 ZINC000369128841 429914618 /nfs/dbraw/zinc/91/46/18/429914618.db2.gz YOINOWBUDWULBS-LBPRGKRZSA-N 1 0 311.809 2.816 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1C ZINC000369278557 429922274 /nfs/dbraw/zinc/92/22/74/429922274.db2.gz RXOAZEXBVGWVBL-QGZVFWFLSA-N 1 0 316.445 2.986 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000289737659 278010464 /nfs/dbraw/zinc/01/04/64/278010464.db2.gz PYKCSXPBDPGZKL-CQSZACIVSA-N 1 0 319.323 2.680 20 10 DFCDRO COc1cccc(C[N@@H+]2CCOc3cc(O)ccc3C2)c1O ZINC000289857864 278010901 /nfs/dbraw/zinc/01/09/01/278010901.db2.gz VHQLVKKGEPCWPB-UHFFFAOYSA-N 1 0 301.342 2.501 20 10 DFCDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185028879 278194264 /nfs/dbraw/zinc/19/42/64/278194264.db2.gz AJNNHFRQZSZXMK-HUUCEWRRSA-N 1 0 318.461 2.642 20 10 DFCDRO CC[C@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000156787343 288059446 /nfs/dbraw/zinc/05/94/46/288059446.db2.gz YHFLJAOXFBYZGQ-YJBOKZPZSA-N 1 0 305.466 2.514 20 10 DFCDRO C[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)c2ccccc2NC1=O ZINC000662249487 431012313 /nfs/dbraw/zinc/01/23/13/431012313.db2.gz VNDBEZCWNJOZEF-AWEZNQCLSA-N 1 0 321.424 2.927 20 10 DFCDRO CC[C@H]([NH2+][C@H](C)CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000156787616 288077780 /nfs/dbraw/zinc/07/77/80/288077780.db2.gz YHFLJAOXFBYZGQ-QAPCUYQASA-N 1 0 305.466 2.514 20 10 DFCDRO CC(C)[N@H+](CC(=O)N(C)C1CC1)Cc1ccc(N(C)C)cc1 ZINC000299197970 279398606 /nfs/dbraw/zinc/39/86/06/279398606.db2.gz LBKJMBTUBCROSM-UHFFFAOYSA-N 1 0 303.450 2.584 20 10 DFCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc2ccccc2c1O ZINC000278845512 332138008 /nfs/dbraw/zinc/13/80/08/332138008.db2.gz PZIQYDMIKZUEPW-VEVIJQCQSA-N 1 0 301.386 2.736 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@@]2(CC)CC[NH2+]C2)cc1 ZINC000370845030 332268144 /nfs/dbraw/zinc/26/81/44/332268144.db2.gz FJHNYXZUQJBZOL-SFHVURJKSA-N 1 0 303.450 2.539 20 10 DFCDRO COC[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293563373 335109232 /nfs/dbraw/zinc/10/92/32/335109232.db2.gz CYLQNARAWVORLC-SJLPKXTDSA-N 1 0 315.413 2.663 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCCNC(=O)[C@@H]2CC(C)C)c1O ZINC000293514043 335111266 /nfs/dbraw/zinc/11/12/66/335111266.db2.gz AKHPCXJJTQHCBR-HNNXBMFYSA-N 1 0 320.433 2.528 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1 ZINC000293635333 335113667 /nfs/dbraw/zinc/11/36/67/335113667.db2.gz LTMNMXYEZAFJLX-KRWDZBQOSA-N 1 0 300.402 2.945 20 10 DFCDRO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293868419 335115544 /nfs/dbraw/zinc/11/55/44/335115544.db2.gz CLALQMKCMSSXHH-GFCCVEGCSA-N 1 0 300.196 2.502 20 10 DFCDRO COC1CCN(c2ccc(C[NH2+][C@@H](CCO)C(C)C)cc2)CC1 ZINC000294896492 335128755 /nfs/dbraw/zinc/12/87/55/335128755.db2.gz DLMLBUGXVVUYLJ-IBGZPJMESA-N 1 0 320.477 2.798 20 10 DFCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)(C)O ZINC000294933924 335128770 /nfs/dbraw/zinc/12/87/70/335128770.db2.gz HQBLHUOZDVZEEI-SUMWQHHRSA-N 1 0 324.440 2.862 20 10 DFCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCCNC2=O)cc1 ZINC000294979854 335129125 /nfs/dbraw/zinc/12/91/25/335129125.db2.gz GMKXJQBEZUTNDI-KRWDZBQOSA-N 1 0 303.450 2.681 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](C)[C@H](C)C(C)(C)O)cc2)CC1 ZINC000295227297 335131162 /nfs/dbraw/zinc/13/11/62/335131162.db2.gz WJFJVHGDSBGBLJ-OAHLLOKOSA-N 1 0 320.477 2.893 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)[C@@H](CO)c2ccccc2)cc1OC ZINC000295132814 335132580 /nfs/dbraw/zinc/13/25/80/335132580.db2.gz YJISHHULIQXQQQ-HNNXBMFYSA-N 1 0 317.385 2.575 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2cnn(C)c2)C1 ZINC000368725635 333326585 /nfs/dbraw/zinc/32/65/85/333326585.db2.gz WXZSZJJLLKVLDL-WBVHZDCISA-N 1 0 301.390 2.650 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCn2nc(C)cc2C)c1 ZINC000184872206 333367805 /nfs/dbraw/zinc/36/78/05/333367805.db2.gz YQZMEEXDMHTFHQ-CQSZACIVSA-N 1 0 303.406 2.955 20 10 DFCDRO CCOC(=O)c1cc(C[NH2+]Cc2cccc(OC)c2O)[nH]c1C ZINC000296064940 335141147 /nfs/dbraw/zinc/14/11/47/335141147.db2.gz PLOYTTWXTKKPNU-UHFFFAOYSA-N 1 0 318.373 2.504 20 10 DFCDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296526938 335146103 /nfs/dbraw/zinc/14/61/03/335146103.db2.gz QGJKPHIRZPYRAT-CABCVRRESA-N 1 0 324.440 2.864 20 10 DFCDRO O=C1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1Cc1ccccc1 ZINC000296964153 335150470 /nfs/dbraw/zinc/15/04/70/335150470.db2.gz RHQCJLJGXMDYMT-DLBZAZTESA-N 1 0 322.408 2.770 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(N(C)C)cc1 ZINC000297213996 335151388 /nfs/dbraw/zinc/15/13/88/335151388.db2.gz GUQNKVJHUVFHEN-IEBWSBKVSA-N 1 0 319.493 2.640 20 10 DFCDRO COc1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc1C ZINC000275515101 334071603 /nfs/dbraw/zinc/07/16/03/334071603.db2.gz KQDHJCWMGYXUGO-RDJZCZTQSA-N 1 0 315.417 2.747 20 10 DFCDRO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O)C1CC1 ZINC000275892759 334073846 /nfs/dbraw/zinc/07/38/46/334073846.db2.gz ZQXARUYJDSLHRS-KRWDZBQOSA-N 1 0 302.418 2.676 20 10 DFCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000295066227 334216858 /nfs/dbraw/zinc/21/68/58/334216858.db2.gz ROMBLYZPWDKADG-FZKQIMNGSA-N 1 0 322.424 2.738 20 10 DFCDRO CC[C@@H](CO)[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000295078599 334217572 /nfs/dbraw/zinc/21/75/72/334217572.db2.gz HZDZTIXZYNLXEV-LBPRGKRZSA-N 1 0 302.212 2.666 20 10 DFCDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1)N1CCCCC1 ZINC000366724392 334421170 /nfs/dbraw/zinc/42/11/70/334421170.db2.gz DDDCMVQNLJDLIY-CJNGLKHVSA-N 1 0 320.408 2.802 20 10 DFCDRO CCC[C@H](C(=O)NCc1c(C)c2ccccc2n1C)[NH+](C)C ZINC000352126969 336195751 /nfs/dbraw/zinc/19/57/51/336195751.db2.gz ZODNFSJMICFHJC-MRXNPFEDSA-N 1 0 301.434 2.833 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c(O)c1 ZINC000192810138 336263876 /nfs/dbraw/zinc/26/38/76/336263876.db2.gz VYFJJEGKLJMLOK-GJZGRUSLSA-N 1 0 312.417 2.810 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C23CCC3)cc1OC ZINC000368033589 336836044 /nfs/dbraw/zinc/83/60/44/336836044.db2.gz GTIALFLKLRGMNK-LQAWEQHXSA-N 1 0 321.417 2.703 20 10 DFCDRO Cc1cccnc1C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000368286046 336841861 /nfs/dbraw/zinc/84/18/61/336841861.db2.gz CIZTVSAYIJGGMO-UHFFFAOYSA-N 1 0 312.369 2.646 20 10 DFCDRO Oc1ccc(Br)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000368442568 336844798 /nfs/dbraw/zinc/84/47/98/336844798.db2.gz POKVZWFCVHBKEN-SNVBAGLBSA-N 1 0 312.207 2.623 20 10 DFCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCc3ccccc3OC1)OCO2 ZINC000370284886 336881739 /nfs/dbraw/zinc/88/17/39/336881739.db2.gz HNBBQJKSBDPDPE-CQSZACIVSA-N 1 0 313.353 2.604 20 10 DFCDRO Oc1cc2c(cc1C[NH+]1CCC([C@H]3CCCOC3)CC1)OCO2 ZINC000371587463 336908466 /nfs/dbraw/zinc/90/84/66/336908466.db2.gz DDAMAAQCISFQKP-AWEZNQCLSA-N 1 0 319.401 2.760 20 10 DFCDRO OC[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000373813657 336973559 /nfs/dbraw/zinc/97/35/59/336973559.db2.gz WODCRUVGRRXTHZ-UGSOOPFHSA-N 1 0 301.361 2.917 20 10 DFCDRO CC[C@@H](C)[C@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305163437 337016719 /nfs/dbraw/zinc/01/67/19/337016719.db2.gz XQPKHTGTTUVKFH-RDTXWAMCSA-N 1 0 306.450 2.661 20 10 DFCDRO CCc1nnc2n1C[C@H]([NH2+][C@H](C)c1cc(C)ccc1O)CC2 ZINC000375851589 337021413 /nfs/dbraw/zinc/02/14/13/337021413.db2.gz UYCAAFBKOUVMAU-CHWSQXEVSA-N 1 0 300.406 2.520 20 10 DFCDRO CCc1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)CC2 ZINC000375853400 337021472 /nfs/dbraw/zinc/02/14/72/337021472.db2.gz YZEPXCKBIZIDEI-QWHCGFSZSA-N 1 0 300.406 2.520 20 10 DFCDRO CCc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1O)CC2 ZINC000375853401 337021587 /nfs/dbraw/zinc/02/15/87/337021587.db2.gz YZEPXCKBIZIDEI-STQMWFEESA-N 1 0 300.406 2.520 20 10 DFCDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000375862059 337021737 /nfs/dbraw/zinc/02/17/37/337021737.db2.gz SCWHQSQLLUPFQG-ZWKOTPCHSA-N 1 0 316.445 2.984 20 10 DFCDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1)N1CCCC1 ZINC000376006486 337025068 /nfs/dbraw/zinc/02/50/68/337025068.db2.gz ZAQBQPQEFMGZRC-DOMZBBRYSA-N 1 0 322.836 2.926 20 10 DFCDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1)N1CCCCC1 ZINC000376009131 337025152 /nfs/dbraw/zinc/02/51/52/337025152.db2.gz VTVQDGMDKZDQFU-ZBFHGGJFSA-N 1 0 302.418 2.663 20 10 DFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCOC[C@H]3C)CC2)cc1 ZINC000376122392 337027603 /nfs/dbraw/zinc/02/76/03/337027603.db2.gz HYKYQXPTVZHOME-CVEARBPZSA-N 1 0 318.461 2.926 20 10 DFCDRO COc1ccc(N2CCC[N@H+](CCOC3CCC3)CC2)cc1 ZINC000376508575 337035417 /nfs/dbraw/zinc/03/54/17/337035417.db2.gz VVZNXZOOXJSVKV-UHFFFAOYSA-N 1 0 304.434 2.776 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1cc(F)ccc1O ZINC000376896179 337043392 /nfs/dbraw/zinc/04/33/92/337043392.db2.gz YXQQVVWGZMKYFZ-XKQJLSEDSA-N 1 0 322.424 2.825 20 10 DFCDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000376940822 337043874 /nfs/dbraw/zinc/04/38/74/337043874.db2.gz KNIXGWYKOAEPED-HZPDHXFCSA-N 1 0 321.417 2.552 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@]2(CCCOC2)O1 ZINC000377216590 337048852 /nfs/dbraw/zinc/04/88/52/337048852.db2.gz VGLXIQKVXNGWRZ-CRAIPNDOSA-N 1 0 304.434 2.523 20 10 DFCDRO CCc1nnc([C@H]2C[N@H+]([C@H](CC)c3ccccc3O)CCO2)o1 ZINC000377669253 337057934 /nfs/dbraw/zinc/05/79/34/337057934.db2.gz DINLEWHDXMJCEF-UKRRQHHQSA-N 1 0 317.389 2.862 20 10 DFCDRO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(OC)ccc1O ZINC000378453347 337073256 /nfs/dbraw/zinc/07/32/56/337073256.db2.gz INCLEPXWGGEDFM-OAHLLOKOSA-N 1 0 301.390 2.784 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1O ZINC000378524065 337075167 /nfs/dbraw/zinc/07/51/67/337075167.db2.gz YESHVHJQRYEPRW-SFHVURJKSA-N 1 0 317.360 2.633 20 10 DFCDRO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(N(C)C)cc1 ZINC000178050715 337160133 /nfs/dbraw/zinc/16/01/33/337160133.db2.gz YYPURVPPPNZMHJ-AWEZNQCLSA-N 1 0 322.416 2.579 20 10 DFCDRO Cc1nnc([C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)[nH]1 ZINC000180107925 337171397 /nfs/dbraw/zinc/17/13/97/337171397.db2.gz UPXUUUIMNTZRSF-KRWDZBQOSA-N 1 0 324.384 2.545 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c(O)c1 ZINC000185553011 337249080 /nfs/dbraw/zinc/24/90/80/337249080.db2.gz RJNZIYCHAYJKQU-HUUCEWRRSA-N 1 0 314.433 2.754 20 10 DFCDRO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)CC2 ZINC000185994996 337252429 /nfs/dbraw/zinc/25/24/29/337252429.db2.gz JTMCYMXRGZEFJR-CMPLNLGQSA-N 1 0 320.824 2.865 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C12CCOCC2 ZINC000186213099 337254608 /nfs/dbraw/zinc/25/46/08/337254608.db2.gz GKIIBBHQLAWXMI-ZWKOTPCHSA-N 1 0 318.461 2.816 20 10 DFCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C12CCOCC2 ZINC000186213114 337254638 /nfs/dbraw/zinc/25/46/38/337254638.db2.gz GKIIBBHQLAWXMI-ROUUACIJSA-N 1 0 318.461 2.816 20 10 DFCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cc[nH]n2)C1 ZINC000113359143 337391083 /nfs/dbraw/zinc/39/10/83/337391083.db2.gz DUSCTXFXAXCTOJ-HNNXBMFYSA-N 1 0 320.824 2.523 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237167697 340668470 /nfs/dbraw/zinc/66/84/70/340668470.db2.gz DHKNUSLYPGYBGB-UHFFFAOYSA-N 1 0 324.424 2.672 20 10 DFCDRO Oc1cc2c(cc1C[NH2+]Cc1ccccc1-n1cccn1)OCO2 ZINC000238132451 340675810 /nfs/dbraw/zinc/67/58/10/340675810.db2.gz RKWQLUAACUUFMV-UHFFFAOYSA-N 1 0 323.352 2.596 20 10 DFCDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc(Br)cc1O ZINC000529646059 340766402 /nfs/dbraw/zinc/76/64/02/340766402.db2.gz WQWKBPTVRCLTLS-IINYFYTJSA-N 1 0 312.207 2.812 20 10 DFCDRO COc1cccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC000246162103 341330600 /nfs/dbraw/zinc/33/06/00/341330600.db2.gz CSNHBQXVDFVCLJ-QGZVFWFLSA-N 1 0 312.413 2.890 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2[C@H](C)CC(O)C[C@@H]2C)c1O ZINC000191137470 518278713 /nfs/dbraw/zinc/27/87/13/518278713.db2.gz UUJZCKJZJIBZCP-XFLKPENQSA-N 1 0 311.809 2.982 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1O ZINC000365110164 518279951 /nfs/dbraw/zinc/27/99/51/518279951.db2.gz PFYNYARZCRVIKT-INIZCTEOSA-N 1 0 309.793 2.595 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1O ZINC000248034645 518286501 /nfs/dbraw/zinc/28/65/01/518286501.db2.gz RGGIDXCLQGTJDU-KBXCAEBGSA-N 1 0 321.392 2.861 20 10 DFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179931543 519874374 /nfs/dbraw/zinc/87/43/74/519874374.db2.gz FCTJHWGNRYZDOV-OAHLLOKOSA-N 1 0 304.434 2.829 20 10 DFCDRO CCCNC(=O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000158290160 519880723 /nfs/dbraw/zinc/88/07/23/519880723.db2.gz ZCWNKYVEABGMDB-CQSZACIVSA-N 1 0 321.440 2.993 20 10 DFCDRO CC[NH2+]CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000236984529 519922382 /nfs/dbraw/zinc/92/23/82/519922382.db2.gz KOKPQNYSOOJJEH-UHFFFAOYSA-N 1 0 303.381 2.573 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@H](CO)Cc2ccccc2)c(O)c1 ZINC000131536160 520374912 /nfs/dbraw/zinc/37/49/12/520374912.db2.gz YVRGWFNKSOTYOR-KRWDZBQOSA-N 1 0 315.413 2.874 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000270703536 520902313 /nfs/dbraw/zinc/90/23/13/520902313.db2.gz JTNSWIGYKSOTKS-QGZVFWFLSA-N 1 0 315.461 2.539 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000236676224 521040191 /nfs/dbraw/zinc/04/01/91/521040191.db2.gz AGOGTTJNALAAIA-LJQANCHMSA-N 1 0 315.461 2.539 20 10 DFCDRO CC1CCN(c2ccc(CNC(=O)C3CC[NH2+]CC3)cc2)CC1 ZINC000236672639 521041391 /nfs/dbraw/zinc/04/13/91/521041391.db2.gz DZIPJRCODOUDPU-UHFFFAOYSA-N 1 0 315.461 2.539 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@](C)(O)c2cccs2)c1O ZINC000265787091 521365724 /nfs/dbraw/zinc/36/57/24/521365724.db2.gz PUEJGRUIIZBIRR-INIZCTEOSA-N 1 0 307.415 2.850 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1O ZINC000157816904 521365842 /nfs/dbraw/zinc/36/58/42/521365842.db2.gz CCCADAHUWGHDQF-SFHVURJKSA-N 1 0 319.376 2.927 20 10 DFCDRO CCC(CC)(C[NH3+])NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000236793197 521427739 /nfs/dbraw/zinc/42/77/39/521427739.db2.gz YUWBDBBEWGRLML-UHFFFAOYSA-N 1 0 314.433 2.736 20 10 DFCDRO CCCN(CCC)c1ccc(C[NH2+]C2(CO)CCOCC2)cc1 ZINC000265269115 521650833 /nfs/dbraw/zinc/65/08/33/521650833.db2.gz SYTSEDKZGYTMTR-UHFFFAOYSA-N 1 0 320.477 2.944 20 10 DFCDRO CCNC(=O)C(C)(C)C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000183216004 521733246 /nfs/dbraw/zinc/73/32/46/521733246.db2.gz GIRJZUHTQXWAOW-MRXNPFEDSA-N 1 0 305.466 2.956 20 10 DFCDRO CN(C)c1ccc(C[N@H+](CCC2OCCCO2)C2CC2)cc1 ZINC000267905292 522171942 /nfs/dbraw/zinc/17/19/42/522171942.db2.gz CWRMYJOZGDZLRQ-UHFFFAOYSA-N 1 0 304.434 2.870 20 10 DFCDRO COc1ccc(-n2c(C)cc(C(=O)NCC[C@H](C)[NH3+])c2C)cc1 ZINC000178674348 523313229 /nfs/dbraw/zinc/31/32/29/523313229.db2.gz PTCIRHDASYTCKZ-LBPRGKRZSA-N 1 0 315.417 2.570 20 10 DFCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000264755082 523384846 /nfs/dbraw/zinc/38/48/46/523384846.db2.gz XLLVIFNGWILGKK-OAHLLOKOSA-N 1 0 321.804 2.917 20 10 DFCDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000191636190 523899020 /nfs/dbraw/zinc/89/90/20/523899020.db2.gz WPTUJFNZHBNBFX-MELADBBJSA-N 1 0 310.413 2.736 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@@H]3C[C@H](CO)c4ccccc43)ccc21 ZINC000364987364 523997169 /nfs/dbraw/zinc/99/71/69/523997169.db2.gz FMWIPNTTZDNMGO-VQIMIIECSA-N 1 0 308.425 2.989 20 10 DFCDRO COc1ccc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1C ZINC000365660468 524090643 /nfs/dbraw/zinc/09/06/43/524090643.db2.gz GFEHBEDQQWYRDD-ZWKOTPCHSA-N 1 0 319.445 2.803 20 10 DFCDRO Cc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1O ZINC000365994256 524390744 /nfs/dbraw/zinc/39/07/44/524390744.db2.gz IOFYLLBWKRBXNW-UHFFFAOYSA-N 1 0 316.361 2.642 20 10 DFCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000179878057 524762792 /nfs/dbraw/zinc/76/27/92/524762792.db2.gz WURNXSCQCIBBCS-LSDHHAIUSA-N 1 0 301.386 2.791 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000182447913 524762667 /nfs/dbraw/zinc/76/26/67/524762667.db2.gz GYZUWOBAJZGPDY-ACJLOTCBSA-N 1 0 301.386 2.959 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(Br)cc1O ZINC000189322010 525397039 /nfs/dbraw/zinc/39/70/39/525397039.db2.gz VXNBFVKLCMMWKZ-UMNHJUIQSA-N 1 0 314.223 2.966 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)c1cccc(F)c1 ZINC000267160760 525449336 /nfs/dbraw/zinc/44/93/36/525449336.db2.gz FUHZRSYYXOGPLI-KPZWWZAWSA-N 1 0 301.361 2.972 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000186790752 525554058 /nfs/dbraw/zinc/55/40/58/525554058.db2.gz INDDGNBZNADYOT-FDQGKXFDSA-N 1 0 322.424 2.616 20 10 DFCDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1O ZINC000237220685 526024089 /nfs/dbraw/zinc/02/40/89/526024089.db2.gz ZMFOWODLISVZHW-UHFFFAOYSA-N 1 0 304.365 2.896 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+](C)CC[C@H](C)O)c1O ZINC000180307531 526158936 /nfs/dbraw/zinc/15/89/36/526158936.db2.gz RKMKQFNCRNRILO-JTQLQIEISA-N 1 0 302.212 2.666 20 10 DFCDRO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000195250452 526262751 /nfs/dbraw/zinc/26/27/51/526262751.db2.gz HMFBPBAKUIIJKF-CALCHBBNSA-N 1 0 323.440 2.694 20 10 DFCDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000237579749 526265468 /nfs/dbraw/zinc/26/54/68/526265468.db2.gz YCDPSHIWKLSBGL-UHFFFAOYSA-N 1 0 303.381 2.700 20 10 DFCDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297468768 526682726 /nfs/dbraw/zinc/68/27/26/526682726.db2.gz YJXNINRZTDPJFT-PBFPGSCMSA-N 1 0 302.418 2.662 20 10 DFCDRO O=C1CC2(CN1)CC[NH+](Cc1c(O)ccc3ccccc31)CC2 ZINC000267712359 526961515 /nfs/dbraw/zinc/96/15/15/526961515.db2.gz TXDQXWRZKBMAFL-UHFFFAOYSA-N 1 0 310.397 2.648 20 10 DFCDRO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000161995778 526999605 /nfs/dbraw/zinc/99/96/05/526999605.db2.gz QQOYNUDUFHJRPB-QGZVFWFLSA-N 1 0 301.434 2.517 20 10 DFCDRO CCOC1CC2(C1)CC[N@H+](Cc1cc(OC)c(OC)cc1O)C2 ZINC000285001301 535398363 /nfs/dbraw/zinc/39/83/63/535398363.db2.gz DEYIWQQXTPFLFZ-UHFFFAOYSA-N 1 0 321.417 2.800 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)[C@@]12CCCO2 ZINC000273650484 535507784 /nfs/dbraw/zinc/50/77/84/535507784.db2.gz WLPGJQINCAIMGE-KSZLIROESA-N 1 0 305.418 2.825 20 10 DFCDRO CCSCC[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000273787454 535686151 /nfs/dbraw/zinc/68/61/51/535686151.db2.gz TZXYBEWCXSEYQI-UHFFFAOYSA-N 1 0 308.491 2.738 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)OCCO)cc1F ZINC000288561125 535686192 /nfs/dbraw/zinc/68/61/92/535686192.db2.gz YQILWSBZZGLFSE-UHFFFAOYSA-N 1 0 312.429 2.549 20 10 DFCDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000274596574 535782444 /nfs/dbraw/zinc/78/24/44/535782444.db2.gz GMAFRJDUEMBCBC-KGLIPLIRSA-N 1 0 306.406 2.890 20 10 DFCDRO CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000285687751 535894010 /nfs/dbraw/zinc/89/40/10/535894010.db2.gz OIBQXOVDFJNNDC-KRWDZBQOSA-N 1 0 323.456 2.598 20 10 DFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000279821286 536318755 /nfs/dbraw/zinc/31/87/55/536318755.db2.gz GHSFLDFOBZELSI-DUVNUKRYSA-N 1 0 322.424 2.959 20 10 DFCDRO COc1cc(O)c(C[NH2+]CC[C@H]2CCO[C@H](C)C2)cc1OC ZINC000273208433 536856529 /nfs/dbraw/zinc/85/65/29/536856529.db2.gz SLWIGGRYBSNDOB-OLZOCXBDSA-N 1 0 309.406 2.704 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737363861 598837273 /nfs/dbraw/zinc/83/72/73/598837273.db2.gz FOZQDOYUERRHER-GFCCVEGCSA-N 1 0 309.373 2.732 20 10 DFCDRO CCC[N@H+](Cc1c(C)nn(C)c1OC)Cc1ccccc1O ZINC000092705014 185334105 /nfs/dbraw/zinc/33/41/05/185334105.db2.gz POZYTYSXWATDNT-UHFFFAOYSA-N 1 0 303.406 2.855 20 10 DFCDRO CCN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1C ZINC000592475604 398431026 /nfs/dbraw/zinc/43/10/26/398431026.db2.gz AYRORVNEQNBZKB-CQSZACIVSA-N 1 0 312.417 2.694 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(N(C)C)cc1 ZINC000089680111 398463816 /nfs/dbraw/zinc/46/38/16/398463816.db2.gz RHRSLPYFOARTKX-MOPGFXCFSA-N 1 0 317.477 2.657 20 10 DFCDRO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000090849896 398494452 /nfs/dbraw/zinc/49/44/52/398494452.db2.gz CYJMFVDNZCAYAQ-LPHOPBHVSA-N 1 0 318.461 2.869 20 10 DFCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCC[C@@H]1O ZINC000091898575 398548602 /nfs/dbraw/zinc/54/86/02/398548602.db2.gz LSOSWRCLWZBONI-MFKMUULPSA-N 1 0 314.223 2.748 20 10 DFCDRO C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273468882 299278317 /nfs/dbraw/zinc/27/83/17/299278317.db2.gz RSGVQFPAVJUPNL-LBPRGKRZSA-N 1 0 307.394 2.683 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](C)CCNC(=O)C(C)C)cc1 ZINC000092104417 193159185 /nfs/dbraw/zinc/15/91/85/193159185.db2.gz YSPFIWIAWXFTNY-UHFFFAOYSA-N 1 0 305.466 2.737 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@H](C)N1CCOCC1 ZINC000185375706 296149585 /nfs/dbraw/zinc/14/95/85/296149585.db2.gz GIQHOBGYYKDGGP-FRRDWIJNSA-N 1 0 312.841 2.805 20 10 DFCDRO CCOc1cccc(C[NH2+]CCCNC(=O)OC(C)(C)C)c1O ZINC000105433525 194104386 /nfs/dbraw/zinc/10/43/86/194104386.db2.gz SRYGUPHVJZCPTG-UHFFFAOYSA-N 1 0 324.421 2.795 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000366815215 335049741 /nfs/dbraw/zinc/04/97/41/335049741.db2.gz ZNCSXFGINUDESG-RLFYNMQTSA-N 1 0 305.418 2.859 20 10 DFCDRO Cc1csc([C@H]2CN(Cc3cccc(F)c3O)CCO2)n1 ZINC000272223623 130008990 /nfs/dbraw/zinc/00/89/90/130008990.db2.gz CLYKVISDBFOTKS-CYBMUJFWSA-N 1 0 308.378 2.870 20 10 DFCDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000272447497 130030890 /nfs/dbraw/zinc/03/08/90/130030890.db2.gz MBBUHOZSBYJMIV-KRWDZBQOSA-N 1 0 309.429 2.806 20 10 DFCDRO C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccccc1O ZINC000272919400 130074736 /nfs/dbraw/zinc/07/47/36/130074736.db2.gz XVYYXNIILHDMRL-HNNXBMFYSA-N 1 0 304.434 2.688 20 10 DFCDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(Br)cc1O ZINC000273365830 130113224 /nfs/dbraw/zinc/11/32/24/130113224.db2.gz DZHUKWYLJTWMHZ-JTQLQIEISA-N 1 0 324.222 2.782 20 10 DFCDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cc(F)ccc1O ZINC000273382809 130114235 /nfs/dbraw/zinc/11/42/35/130114235.db2.gz IRPFPVYJDAWWFE-LBPRGKRZSA-N 1 0 323.389 2.656 20 10 DFCDRO C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCCC1 ZINC000273420174 130119670 /nfs/dbraw/zinc/11/96/70/130119670.db2.gz RYYWDOBGRACTEM-OLZOCXBDSA-N 1 0 307.394 2.683 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(Br)cc1O ZINC000273534368 130133612 /nfs/dbraw/zinc/13/36/12/130133612.db2.gz WYNSSHNOMZCHFM-SBMIAAHKSA-N 1 0 300.196 2.983 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(Br)cc1O ZINC000273534359 130134282 /nfs/dbraw/zinc/13/42/82/130134282.db2.gz WYNSSHNOMZCHFM-AUTRQRHGSA-N 1 0 300.196 2.983 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)C2CCC2)c(O)c1C ZINC000273547776 130135216 /nfs/dbraw/zinc/13/52/16/130135216.db2.gz ZQGGBXNXYAOXGY-CQSZACIVSA-N 1 0 304.434 2.966 20 10 DFCDRO [O-]c1c(Cl)cccc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274330231 130227303 /nfs/dbraw/zinc/22/73/03/130227303.db2.gz CUKIASSGPMYECK-UHFFFAOYSA-N 1 0 309.822 2.680 20 10 DFCDRO C[C@H]([NH2+]CCC(C)(C)O)c1cc(Br)ccc1O ZINC000274749031 130259864 /nfs/dbraw/zinc/25/98/64/130259864.db2.gz AHRUQGAAQRHAMP-VIFPVBQESA-N 1 0 302.212 2.966 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2OC)ccc1OC ZINC000274897471 130272019 /nfs/dbraw/zinc/27/20/19/130272019.db2.gz GBHGSDFHMIKJRI-KBAYOESNSA-N 1 0 323.433 2.514 20 10 DFCDRO Oc1ccccc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275158919 130295896 /nfs/dbraw/zinc/29/58/96/130295896.db2.gz XEBDCNMEGOQAQC-UHFFFAOYSA-N 1 0 319.792 2.879 20 10 DFCDRO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O)C1CC1 ZINC000275580033 130341510 /nfs/dbraw/zinc/34/15/10/130341510.db2.gz HHCRMMXCQVTBPO-INIZCTEOSA-N 1 0 306.381 2.507 20 10 DFCDRO Cc1cc(N2CCC([NH2+]Cc3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000276113765 130441462 /nfs/dbraw/zinc/44/14/62/130441462.db2.gz XXORYOYYOKBPEK-UHFFFAOYSA-N 1 0 313.449 2.543 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000278633954 130708473 /nfs/dbraw/zinc/70/84/73/130708473.db2.gz SAQNUCWQMQQGMW-VKJFTORMSA-N 1 0 304.434 2.599 20 10 DFCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000281302169 130851542 /nfs/dbraw/zinc/85/15/42/130851542.db2.gz YRLFDZSIOFOSIK-AAEUAGOBSA-N 1 0 310.825 2.955 20 10 DFCDRO C[C@H]([NH2+][C@H](c1nccn1C)C1CCOCC1)c1ccccc1O ZINC000284759800 131109018 /nfs/dbraw/zinc/10/90/18/131109018.db2.gz GQQYNDRWJUJFIR-GUYCJALGSA-N 1 0 315.417 2.944 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]CCC2(O)CCC2)c1O ZINC000284930176 131123572 /nfs/dbraw/zinc/12/35/72/131123572.db2.gz GVZBDRQLOKVNNJ-UHFFFAOYSA-N 1 0 314.223 2.858 20 10 DFCDRO CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000286260966 131227003 /nfs/dbraw/zinc/22/70/03/131227003.db2.gz VCVXAVNQBYGVMI-YOEHRIQHSA-N 1 0 323.456 2.598 20 10 DFCDRO CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1[O-] ZINC000287695441 131295872 /nfs/dbraw/zinc/29/58/72/131295872.db2.gz WXQVUOUAZILYQG-MRXNPFEDSA-N 1 0 323.456 2.598 20 10 DFCDRO C[C@@H](NC(=O)c1cccc(O)c1O)[C@H](c1ccccc1)[NH+](C)C ZINC000287974995 131308685 /nfs/dbraw/zinc/30/86/85/131308685.db2.gz TYAYVADLIPFBHG-MLGOLLRUSA-N 1 0 314.385 2.519 20 10 DFCDRO O=C([C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1)N1CCCC1 ZINC000288562585 131331192 /nfs/dbraw/zinc/33/11/92/131331192.db2.gz JROKTBDJLWXIGX-INIZCTEOSA-N 1 0 324.424 2.990 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)cc1OC ZINC000289195799 131364740 /nfs/dbraw/zinc/36/47/40/131364740.db2.gz BCIVNODGXJXWHP-HIFRSBDPSA-N 1 0 323.433 2.925 20 10 DFCDRO CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(OC)c1O ZINC000289452627 131387174 /nfs/dbraw/zinc/38/71/74/131387174.db2.gz NKCCHELFDKSXFN-UHFFFAOYSA-N 1 0 309.797 2.640 20 10 DFCDRO CCOc1cccc(CN(CC[NH+](C)C)Cc2ccco2)c1O ZINC000289496991 131390796 /nfs/dbraw/zinc/39/07/96/131390796.db2.gz SLSOIRJFDNSVPQ-UHFFFAOYSA-N 1 0 318.417 2.948 20 10 DFCDRO COc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1O ZINC000289571642 131397235 /nfs/dbraw/zinc/39/72/35/131397235.db2.gz SNBQXVQNGJVKKV-UHFFFAOYSA-N 1 0 316.357 2.984 20 10 DFCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000289578046 131397282 /nfs/dbraw/zinc/39/72/82/131397282.db2.gz JVZVLFLWAFTILC-HNNXBMFYSA-N 1 0 321.440 2.772 20 10 DFCDRO CC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[NH+](C)C ZINC000298180675 132049811 /nfs/dbraw/zinc/04/98/11/132049811.db2.gz GMWDJQAEVVIUPF-QGZVFWFLSA-N 1 0 303.450 2.584 20 10 DFCDRO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1O)c1ccsc1 ZINC000299492340 132108220 /nfs/dbraw/zinc/10/82/20/132108220.db2.gz JXYWEBPAXICDNY-CQSZACIVSA-N 1 0 319.430 2.556 20 10 DFCDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1O)C1CCCCC1 ZINC000299555629 132111236 /nfs/dbraw/zinc/11/12/36/132111236.db2.gz YJNOJERTDJZERX-INIZCTEOSA-N 1 0 319.449 2.702 20 10 DFCDRO O=C(NCc1ccccc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000299592714 132112940 /nfs/dbraw/zinc/11/29/40/132112940.db2.gz UANWCOSVWHPYLQ-UHFFFAOYSA-N 1 0 324.424 2.921 20 10 DFCDRO COCCOC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293061145 543019753 /nfs/dbraw/zinc/01/97/53/543019753.db2.gz LDEUPJUEEJXYKP-UHFFFAOYSA-N 1 0 306.450 2.688 20 10 DFCDRO CC[C@H]([NH2+]Cc1cc(Br)ccc1O)C(C)(C)O ZINC000293001697 543018192 /nfs/dbraw/zinc/01/81/92/543018192.db2.gz NCIPIKZUUNFFQH-LBPRGKRZSA-N 1 0 302.212 2.794 20 10 DFCDRO C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000185491800 287013792 /nfs/dbraw/zinc/01/37/92/287013792.db2.gz PBYRBWQTALYXAJ-ZIAGYGMSSA-N 1 0 322.424 2.683 20 10 DFCDRO Cc1cc(Br)cc(CN2CCOC[C@H]2C)c1O ZINC000124547805 425925707 /nfs/dbraw/zinc/92/57/07/425925707.db2.gz MEJPAYVUEIIDCG-SNVBAGLBSA-N 1 0 300.196 2.684 20 10 DFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCCCO1 ZINC000071004439 425981110 /nfs/dbraw/zinc/98/11/10/425981110.db2.gz WGQGJYCWHIAHSM-GOSISDBHSA-N 1 0 304.434 2.524 20 10 DFCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@H]1CCCCO1 ZINC000070976671 425978933 /nfs/dbraw/zinc/97/89/33/425978933.db2.gz WBXBFOHMJHBCLA-SJORKVTESA-N 1 0 305.418 2.942 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000109848599 426032477 /nfs/dbraw/zinc/03/24/77/426032477.db2.gz ZKRYZLUUKIFAJL-INIZCTEOSA-N 1 0 311.429 2.776 20 10 DFCDRO C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)Cc1ccccc1O ZINC000109773698 426032743 /nfs/dbraw/zinc/03/27/43/426032743.db2.gz YXUMGTQYKMYPCA-ZDUSSCGKSA-N 1 0 316.376 2.668 20 10 DFCDRO Oc1ccccc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000111403536 426049407 /nfs/dbraw/zinc/04/94/07/426049407.db2.gz OPTAUKNZYMFZCP-UHFFFAOYSA-N 1 0 304.434 2.517 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)c2ccccc2)c1O ZINC000114508114 426138654 /nfs/dbraw/zinc/13/86/54/426138654.db2.gz DZHVNMVEMMJVBW-GOSISDBHSA-N 1 0 301.386 2.788 20 10 DFCDRO CCC[N@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1ccccc1O ZINC000114717528 426143891 /nfs/dbraw/zinc/14/38/91/426143891.db2.gz OISXGHMEJOJQFB-UHFFFAOYSA-N 1 0 316.405 2.583 20 10 DFCDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000171415013 426189339 /nfs/dbraw/zinc/18/93/39/426189339.db2.gz QBZGMDHTYLTUDC-PBHICJAKSA-N 1 0 303.450 2.537 20 10 DFCDRO COCC[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000119470833 426290794 /nfs/dbraw/zinc/29/07/94/426290794.db2.gz ZNLWYSPGCJOAIT-UHFFFAOYSA-N 1 0 315.369 2.770 20 10 DFCDRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000092011082 426346749 /nfs/dbraw/zinc/34/67/49/426346749.db2.gz HLBAEXQRZVLJKS-UHFFFAOYSA-N 1 0 303.450 2.620 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(OC3CCOCC3)CC2)cc1 ZINC000093139916 426353567 /nfs/dbraw/zinc/35/35/67/426353567.db2.gz ROUKXVGUUMRFHK-UHFFFAOYSA-N 1 0 318.461 2.913 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000093809281 426357279 /nfs/dbraw/zinc/35/72/79/426357279.db2.gz HIUXMXPYDPGGNO-INIZCTEOSA-N 1 0 303.450 2.620 20 10 DFCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(C)c(C)cc1O)CC2 ZINC000093613592 426357581 /nfs/dbraw/zinc/35/75/81/426357581.db2.gz IHCXDCVTWDUKNK-MSOLQXFVSA-N 1 0 319.445 2.761 20 10 DFCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000093819895 426357728 /nfs/dbraw/zinc/35/77/28/426357728.db2.gz WAVQRHRRZISOKT-AWEZNQCLSA-N 1 0 312.207 2.767 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)CCN1CC(F)F ZINC000093767191 426358245 /nfs/dbraw/zinc/35/82/45/426358245.db2.gz RSXMHRHPFPEHRJ-CYBMUJFWSA-N 1 0 314.376 2.562 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1F ZINC000093808737 426358680 /nfs/dbraw/zinc/35/86/80/426358680.db2.gz IMVPGMYUFGVSJL-AWEZNQCLSA-N 1 0 321.440 2.759 20 10 DFCDRO CC(C)OC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000154187422 426429090 /nfs/dbraw/zinc/42/90/90/426429090.db2.gz YXCOCWCJRYEQKD-IBGZPJMESA-N 1 0 320.477 2.895 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1C ZINC000154915060 426458290 /nfs/dbraw/zinc/45/82/90/426458290.db2.gz QMSHGTFXZDZWKW-HNNXBMFYSA-N 1 0 300.406 2.513 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1ccccc1O ZINC000154980623 426460610 /nfs/dbraw/zinc/46/06/10/426460610.db2.gz PLMMFPDKDPANBV-SJORKVTESA-N 1 0 306.450 2.790 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(C)cc1O ZINC000280146917 426506418 /nfs/dbraw/zinc/50/64/18/426506418.db2.gz PYDWLSACSHCOPN-GOEBONIOSA-N 1 0 321.417 2.663 20 10 DFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2O)C1 ZINC000280214427 426522046 /nfs/dbraw/zinc/52/20/46/426522046.db2.gz UIBOCIZCTWEHON-ZFWWWQNUSA-N 1 0 305.422 2.545 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000177876194 426533179 /nfs/dbraw/zinc/53/31/79/426533179.db2.gz WEGBWPIMMCWHHM-MAUKXSAKSA-N 1 0 315.461 2.996 20 10 DFCDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186541142 426546645 /nfs/dbraw/zinc/54/66/45/426546645.db2.gz ZCKJIFACHFKIGM-KSRUKNBBSA-N 1 0 320.252 2.572 20 10 DFCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCN(C(=O)N(C)C)CC1 ZINC000194978292 426496590 /nfs/dbraw/zinc/49/65/90/426496590.db2.gz JHRIQPOMVFFPIV-UHFFFAOYSA-N 1 0 318.465 2.508 20 10 DFCDRO c1cc(N2CCCCC2)ccc1CN1CCOC[C@]12CCOC2 ZINC000195015382 426497473 /nfs/dbraw/zinc/49/74/73/426497473.db2.gz UZMSLQUCKQDMRR-LJQANCHMSA-N 1 0 316.445 2.668 20 10 DFCDRO Cc1cc(C(=O)NCC2=CC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC000186304945 426501639 /nfs/dbraw/zinc/50/16/39/426501639.db2.gz OEKQFTNJKXQYTR-UHFFFAOYSA-N 1 0 309.413 2.744 20 10 DFCDRO Cc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000264617730 426576131 /nfs/dbraw/zinc/57/61/31/426576131.db2.gz PUZAHQIJHNNADH-MRXNPFEDSA-N 1 0 301.386 2.572 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1OC ZINC000280377420 426561840 /nfs/dbraw/zinc/56/18/40/426561840.db2.gz FAZQSHKEZKXQSB-JSGCOSHPSA-N 1 0 309.406 2.535 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(C)n1-c1cccc(C)c1 ZINC000178566227 426656165 /nfs/dbraw/zinc/65/61/65/426656165.db2.gz KGCVLKAECOCBAU-MRXNPFEDSA-N 1 0 311.429 2.823 20 10 DFCDRO O=C(NCc1c(O)ccc2c1CCCC2)C12CCC[NH+]1CCC2 ZINC000280789118 426656761 /nfs/dbraw/zinc/65/67/61/426656761.db2.gz OEQSAPFTOXDAOA-UHFFFAOYSA-N 1 0 314.429 2.516 20 10 DFCDRO CC[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000178588585 426661040 /nfs/dbraw/zinc/66/10/40/426661040.db2.gz WKCYABUUNYJPDC-INIZCTEOSA-N 1 0 305.422 2.636 20 10 DFCDRO CCCOc1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(O)c1 ZINC000289662662 426670252 /nfs/dbraw/zinc/67/02/52/426670252.db2.gz YRGPBNMGNYAENT-SFHVURJKSA-N 1 0 321.417 2.562 20 10 DFCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1O ZINC000289641164 426670279 /nfs/dbraw/zinc/67/02/79/426670279.db2.gz MKALRMSAFMPJKA-CZUORRHYSA-N 1 0 324.852 2.649 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000289904468 426677602 /nfs/dbraw/zinc/67/76/02/426677602.db2.gz WXYMVSAXSYDMBP-CQSZACIVSA-N 1 0 303.324 2.980 20 10 DFCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(Br)cc1O ZINC000187680427 426684206 /nfs/dbraw/zinc/68/42/06/426684206.db2.gz PMUZILCAMUGSBK-CKLFPEKLSA-N 1 0 314.223 2.965 20 10 DFCDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(Br)cc1O ZINC000187680471 426684444 /nfs/dbraw/zinc/68/44/44/426684444.db2.gz PMUZILCAMUGSBK-JCOFBHIZSA-N 1 0 314.223 2.965 20 10 DFCDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(C)cc1O ZINC000281314287 426710973 /nfs/dbraw/zinc/71/09/73/426710973.db2.gz ZKKAIGUNXPYEAZ-AWEZNQCLSA-N 1 0 311.447 2.709 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cccnc2OC)c1 ZINC000290189092 426712060 /nfs/dbraw/zinc/71/20/60/426712060.db2.gz ODWJHSKFTIBABV-LBPRGKRZSA-N 1 0 302.374 2.698 20 10 DFCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cc(OC)c1O ZINC000237319495 426692471 /nfs/dbraw/zinc/69/24/71/426692471.db2.gz VTSCWUFYOZAPER-UHFFFAOYSA-N 1 0 316.401 2.765 20 10 DFCDRO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1ccc(N)cc1 ZINC000237677909 426693223 /nfs/dbraw/zinc/69/32/23/426693223.db2.gz OQQOJLCNMHXIMF-INIZCTEOSA-N 1 0 323.440 2.544 20 10 DFCDRO Cc1cc(C(=O)NCCCC[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000237587924 426694086 /nfs/dbraw/zinc/69/40/86/426694086.db2.gz HPABPLDAFVEWEO-UHFFFAOYSA-N 1 0 303.381 2.702 20 10 DFCDRO [O-]c1c(F)cccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281890934 426786168 /nfs/dbraw/zinc/78/61/68/426786168.db2.gz YDBPLRWQUKSUHU-GOEBONIOSA-N 1 0 305.324 2.978 20 10 DFCDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000290259905 426726293 /nfs/dbraw/zinc/72/62/93/426726293.db2.gz VBGPVYMIHGDKGD-HIFRSBDPSA-N 1 0 310.413 2.738 20 10 DFCDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000290259907 426726382 /nfs/dbraw/zinc/72/63/82/426726382.db2.gz VBGPVYMIHGDKGD-ZFWWWQNUSA-N 1 0 310.413 2.738 20 10 DFCDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000290327988 426743004 /nfs/dbraw/zinc/74/30/04/426743004.db2.gz OTFBKNNWHPPQBK-JTQLQIEISA-N 1 0 305.827 2.519 20 10 DFCDRO C[N@H+](CCCn1ccnc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290379315 426753946 /nfs/dbraw/zinc/75/39/46/426753946.db2.gz HYWJMIBHGNWGGC-UHFFFAOYSA-N 1 0 324.768 2.672 20 10 DFCDRO CCc1nc(CN2CC[NH+](Cc3ccccc3O)CC2)cs1 ZINC000179563510 426802438 /nfs/dbraw/zinc/80/24/38/426802438.db2.gz IENIDIMGNWRRPZ-UHFFFAOYSA-N 1 0 317.458 2.729 20 10 DFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)N(C)C ZINC000189003387 426808568 /nfs/dbraw/zinc/80/85/68/426808568.db2.gz VXWQMUCUCDMSRR-GJZGRUSLSA-N 1 0 303.450 2.804 20 10 DFCDRO CCOc1ccc(O)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000179647071 426809980 /nfs/dbraw/zinc/80/99/80/426809980.db2.gz CTMPOWGHIQWSFQ-INIZCTEOSA-N 1 0 304.434 2.851 20 10 DFCDRO COC[C@@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000179645352 426810232 /nfs/dbraw/zinc/81/02/32/426810232.db2.gz OMVWYUSGWUTAGD-YJBOKZPZSA-N 1 0 315.413 2.963 20 10 DFCDRO CCOc1cccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1O ZINC000179644180 426810276 /nfs/dbraw/zinc/81/02/76/426810276.db2.gz BWTDNRCDULXCEF-MRXNPFEDSA-N 1 0 304.434 2.851 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000290832885 426849436 /nfs/dbraw/zinc/84/94/36/426849436.db2.gz HSARZAOQAQPSDD-IAGOWNOFSA-N 1 0 303.402 2.934 20 10 DFCDRO CCCC[N@H+](CCS(=O)(=O)C(C)C)Cc1ccccc1O ZINC000282542288 426919643 /nfs/dbraw/zinc/91/96/43/426919643.db2.gz WDKJHLBIBGWCGP-UHFFFAOYSA-N 1 0 313.463 2.818 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1O ZINC000246809736 426868632 /nfs/dbraw/zinc/86/86/32/426868632.db2.gz RAKZWRMIHATPCG-DZGCQCFKSA-N 1 0 301.390 2.680 20 10 DFCDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000295230252 426871447 /nfs/dbraw/zinc/87/14/47/426871447.db2.gz RVHRUJGUNJWSPV-HNNXBMFYSA-N 1 0 315.461 2.680 20 10 DFCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1[C@H]1CCCO1 ZINC000291001080 426872592 /nfs/dbraw/zinc/87/25/92/426872592.db2.gz AVKRFDLPXCENDD-CJNGLKHVSA-N 1 0 305.374 2.510 20 10 DFCDRO C[C@H]1CCCN(c2ccc(CNC(=O)C[NH+](C)C)cc2Cl)C1 ZINC000282374221 426896235 /nfs/dbraw/zinc/89/62/35/426896235.db2.gz YITWCQZURADBJH-ZDUSSCGKSA-N 1 0 323.868 2.754 20 10 DFCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000282441540 426912920 /nfs/dbraw/zinc/91/29/20/426912920.db2.gz ZLBNBHQNFBOBNF-PKOBYXMFSA-N 1 0 318.461 2.818 20 10 DFCDRO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)CC[C@@H]1O ZINC000276011727 426966005 /nfs/dbraw/zinc/96/60/05/426966005.db2.gz PYXACGLDQRCGJD-ZDUSSCGKSA-N 1 0 314.223 2.748 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000283005316 426935981 /nfs/dbraw/zinc/93/59/81/426935981.db2.gz GORMPTXTRAUOND-DAYGRLMNSA-N 1 0 319.445 2.919 20 10 DFCDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295944692 427024303 /nfs/dbraw/zinc/02/43/03/427024303.db2.gz GNNHDUINBYZCKO-ZDUSSCGKSA-N 1 0 317.458 2.609 20 10 DFCDRO CN1CCCc2cc(CNC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])ccc21 ZINC000296145149 427090242 /nfs/dbraw/zinc/09/02/42/427090242.db2.gz VMEJWRPVTRTXCQ-RDJZCZTQSA-N 1 0 315.461 2.593 20 10 DFCDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268720451 427101987 /nfs/dbraw/zinc/10/19/87/427101987.db2.gz KNTHWLYJIDDBAD-ZIAGYGMSSA-N 1 0 321.440 2.991 20 10 DFCDRO Oc1cccc(Cl)c1CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000268970304 427143486 /nfs/dbraw/zinc/14/34/86/427143486.db2.gz MSUDOJCOYRNJLM-NVXWUHKLSA-N 1 0 324.852 2.513 20 10 DFCDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269015759 427146433 /nfs/dbraw/zinc/14/64/33/427146433.db2.gz ODNUYPBRIWRLOT-DOTOQJQBSA-N 1 0 306.450 2.725 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000293093524 427214078 /nfs/dbraw/zinc/21/40/78/427214078.db2.gz XEQAGGPTIYODED-SFHVURJKSA-N 1 0 320.408 2.652 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](C)[C@H]3C)cc2)CC1 ZINC000296754838 427230830 /nfs/dbraw/zinc/23/08/30/427230830.db2.gz LAOSTTHFAXRDLB-CVEARBPZSA-N 1 0 318.461 2.911 20 10 DFCDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1O ZINC000183505466 427282389 /nfs/dbraw/zinc/28/23/89/427282389.db2.gz XWSPJOIJJGJACP-WMLDXEAASA-N 1 0 312.413 2.742 20 10 DFCDRO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccccc1O ZINC000183604172 427301473 /nfs/dbraw/zinc/30/14/73/427301473.db2.gz YEYHDPUOGXNUDA-LBPRGKRZSA-N 1 0 304.415 2.924 20 10 DFCDRO Cc1cc(C[NH+]2CCC(NC(=O)C(C)C)CC2)ccc1N(C)C ZINC000293384299 427306390 /nfs/dbraw/zinc/30/63/90/427306390.db2.gz GNSMGNVOLNRYSY-UHFFFAOYSA-N 1 0 317.477 2.798 20 10 DFCDRO CCCC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183696189 427323007 /nfs/dbraw/zinc/32/30/07/427323007.db2.gz GCKVMCRXCVUXAL-UHFFFAOYSA-N 1 0 308.422 2.635 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1O ZINC000269845230 427289637 /nfs/dbraw/zinc/28/96/37/427289637.db2.gz WMWDTJSLCQOTSE-IBGZPJMESA-N 1 0 313.397 2.715 20 10 DFCDRO O=C(NC1CC[NH+](Cc2c(O)cccc2Cl)CC1)C1CC1 ZINC000271032960 427378652 /nfs/dbraw/zinc/37/86/52/427378652.db2.gz IHRKMRWISLWUMH-UHFFFAOYSA-N 1 0 308.809 2.536 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1 ZINC000271052005 427389639 /nfs/dbraw/zinc/38/96/39/427389639.db2.gz AYCUEBPEFCDURK-UHFFFAOYSA-N 1 0 320.433 2.528 20 10 DFCDRO Cc1cc(C(=O)NC(C)(C)CCC[NH3+])c(C)n1-c1ccccn1 ZINC000293639459 427390195 /nfs/dbraw/zinc/39/01/95/427390195.db2.gz JLCYEOOGKIUFGI-UHFFFAOYSA-N 1 0 314.433 2.736 20 10 DFCDRO Cc1nn2c(C[N@@H+](C)Cc3ccccc3O)c(C)nc2s1 ZINC000271137963 427413010 /nfs/dbraw/zinc/41/30/10/427413010.db2.gz STGYZMUPWGVBMF-UHFFFAOYSA-N 1 0 302.403 2.745 20 10 DFCDRO CCOc1cccc(C[N@H+](CCO)Cc2ccccc2)c1O ZINC000271001422 427366272 /nfs/dbraw/zinc/36/62/72/427366272.db2.gz LBXFZGLJKPIWTJ-UHFFFAOYSA-N 1 0 301.386 2.785 20 10 DFCDRO CCOc1cccc(C[NH2+][C@H](CC)[C@H](O)C(F)(F)F)c1O ZINC000270863276 427367921 /nfs/dbraw/zinc/36/79/21/427367921.db2.gz DQXFROYIRMIRCF-MFKMUULPSA-N 1 0 307.312 2.582 20 10 DFCDRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859552 427464613 /nfs/dbraw/zinc/46/46/13/427464613.db2.gz IFLIOMKNDVWNGD-YGRLFVJLSA-N 1 0 300.805 2.957 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000278414168 427436429 /nfs/dbraw/zinc/43/64/29/427436429.db2.gz FOFFPZJNOQCQLV-JKIFEVAISA-N 1 0 322.424 2.738 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)c1 ZINC000271180038 427437061 /nfs/dbraw/zinc/43/70/61/427437061.db2.gz KXVLFMGWJFJGBD-OAHLLOKOSA-N 1 0 319.401 2.566 20 10 DFCDRO COCC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293793216 427439066 /nfs/dbraw/zinc/43/90/66/427439066.db2.gz UNOCSZFDCWBDRA-AWEZNQCLSA-N 1 0 324.440 2.986 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000278424612 427440502 /nfs/dbraw/zinc/44/05/02/427440502.db2.gz SENXBLARTHWQAA-HIFRSBDPSA-N 1 0 316.367 2.888 20 10 DFCDRO Oc1ccc(F)cc1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000293800622 427441070 /nfs/dbraw/zinc/44/10/70/427441070.db2.gz DEMWURFJALHPIM-UHFFFAOYSA-N 1 0 316.376 2.658 20 10 DFCDRO COC(=O)C[C@@](C)([NH2+]Cc1cc(C)ccc1O)c1ccncc1 ZINC000191906292 427443723 /nfs/dbraw/zinc/44/37/23/427443723.db2.gz BUDLTNBVPMIVKO-GOSISDBHSA-N 1 0 314.385 2.664 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H](COC)[C@@H]2CCCO2)ccc1OC ZINC000278545153 427443972 /nfs/dbraw/zinc/44/39/72/427443972.db2.gz ANXWAOHOCLGIEO-WMZOPIPTSA-N 1 0 323.433 2.515 20 10 DFCDRO CCCN(CC(=O)OC(C)(C)C)Cc1cccc(OC)c1O ZINC000184351474 427444420 /nfs/dbraw/zinc/44/44/20/427444420.db2.gz OMXBJNSHJJHZOI-UHFFFAOYSA-N 1 0 309.406 2.955 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](COC)[C@H]2CCCO2)cc1 ZINC000278687806 427445162 /nfs/dbraw/zinc/44/51/62/427445162.db2.gz GTXCHLKUXZZPBO-BMGDILEWSA-N 1 0 306.450 2.987 20 10 DFCDRO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1ccccc1O ZINC000184798509 427543535 /nfs/dbraw/zinc/54/35/35/427543535.db2.gz KSNMZZUYDQAIAH-UHFFFAOYSA-N 1 0 302.340 2.851 20 10 DFCDRO C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1cc(F)ccc1O ZINC000185252135 427619736 /nfs/dbraw/zinc/61/97/36/427619736.db2.gz IIDCBELJKNKJDI-CYBMUJFWSA-N 1 0 308.397 2.975 20 10 DFCDRO CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185014479 427578195 /nfs/dbraw/zinc/57/81/95/427578195.db2.gz BPSVCDFFYVYZTJ-HNNXBMFYSA-N 1 0 323.456 2.600 20 10 DFCDRO CC(=O)NCC1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000271701476 427582218 /nfs/dbraw/zinc/58/22/18/427582218.db2.gz CXQDMJJINVWPKO-UHFFFAOYSA-N 1 0 310.825 2.702 20 10 DFCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)[nH]1 ZINC000271762310 427582909 /nfs/dbraw/zinc/58/29/09/427582909.db2.gz FCBMKUYYHZIMIK-GFCCVEGCSA-N 1 0 306.797 2.852 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]CCc2cnn(C)c2)c1O ZINC000271777495 427584806 /nfs/dbraw/zinc/58/48/06/427584806.db2.gz BAKVHWQNNBQHCC-UHFFFAOYSA-N 1 0 324.222 2.529 20 10 DFCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)CC2 ZINC000185317345 427633867 /nfs/dbraw/zinc/63/38/67/427633867.db2.gz DDHNAHVUHRPPPR-SKDRFNHKSA-N 1 0 306.797 2.611 20 10 DFCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000294741934 427649832 /nfs/dbraw/zinc/64/98/32/427649832.db2.gz QVOPWGGVSWBELL-IRXDYDNUSA-N 1 0 324.490 2.718 20 10 DFCDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185463816 427657553 /nfs/dbraw/zinc/65/75/53/427657553.db2.gz PSGPXOOCZMSWBS-NOZJJQNGSA-N 1 0 302.212 2.822 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc2c(cc1O)CCCC2 ZINC000185502716 427663980 /nfs/dbraw/zinc/66/39/80/427663980.db2.gz FVTWFQNSOJRBHE-IUODEOHRSA-N 1 0 302.418 2.542 20 10 DFCDRO CC(C)(CO)CC[NH2+]Cc1cc(Br)ccc1O ZINC000294907546 427666581 /nfs/dbraw/zinc/66/65/81/427666581.db2.gz XVIJJLNSCICDQN-UHFFFAOYSA-N 1 0 302.212 2.653 20 10 DFCDRO OCC(F)(F)CNCc1ccc(OCc2ccccc2)cc1O ZINC000185661045 427685655 /nfs/dbraw/zinc/68/56/55/427685655.db2.gz UHQIQBCLLNBVQY-UHFFFAOYSA-N 1 0 323.339 2.688 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1 ZINC000279619376 427713319 /nfs/dbraw/zinc/71/33/19/427713319.db2.gz GPPNZEDMEUJZOL-LPHOPBHVSA-N 1 0 318.461 2.913 20 10 DFCDRO C=Cn1cc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)cn1 ZINC000193789563 427713541 /nfs/dbraw/zinc/71/35/41/427713541.db2.gz BCMYWWNGVFYDKI-UHFFFAOYSA-N 1 0 312.417 2.705 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1O ZINC000279717107 427714957 /nfs/dbraw/zinc/71/49/57/427714957.db2.gz UDFKIQSHPRNRJK-BLLLJJGKSA-N 1 0 311.809 2.734 20 10 DFCDRO C[C@@]1(O)CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000279704422 427716374 /nfs/dbraw/zinc/71/63/74/427716374.db2.gz ROZYFDCASKVEEA-CQSZACIVSA-N 1 0 314.223 2.892 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1 ZINC000279771360 427717650 /nfs/dbraw/zinc/71/76/50/427717650.db2.gz KHNYTPJOVPBEQL-UHFFFAOYSA-N 1 0 324.490 2.590 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1O ZINC000186088744 427746533 /nfs/dbraw/zinc/74/65/33/427746533.db2.gz KKHKBISWXWRNKK-TZMCWYRMSA-N 1 0 310.397 2.959 20 10 DFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1c1ccccc1 ZINC000369700279 428038544 /nfs/dbraw/zinc/03/85/44/428038544.db2.gz AOPPMFKYHIBRLF-DLBZAZTESA-N 1 0 311.381 2.781 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@]2(CO)CCc3ccccc32)c1 ZINC000359961876 428094203 /nfs/dbraw/zinc/09/42/03/428094203.db2.gz UDQOUQMYHZJYOZ-DJJJIMSYSA-N 1 0 313.397 2.885 20 10 DFCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000369967156 428098690 /nfs/dbraw/zinc/09/86/90/428098690.db2.gz LEWWXXFDXZIAPI-SJLPKXTDSA-N 1 0 315.461 2.585 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000360443711 428300345 /nfs/dbraw/zinc/30/03/45/428300345.db2.gz DBBJMSXZYAQWDH-LJQANCHMSA-N 1 0 314.404 2.985 20 10 DFCDRO CN1CCc2cc(C[NH2+]C[C@@]3(C)CCO[C@H]3C3CC3)ccc21 ZINC000372069327 428413315 /nfs/dbraw/zinc/41/33/15/428413315.db2.gz YLHYBPHGNJNYAR-RBUKOAKNSA-N 1 0 300.446 2.974 20 10 DFCDRO Cc1nc(C)n([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000371381033 428385685 /nfs/dbraw/zinc/38/56/85/428385685.db2.gz UJSPAVUYMVSGIY-GOSISDBHSA-N 1 0 313.449 2.798 20 10 DFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCn3ccnc32)cc1F ZINC000372588616 428468203 /nfs/dbraw/zinc/46/82/03/428468203.db2.gz SBXVJGURVLHCSJ-AWEZNQCLSA-N 1 0 302.397 2.755 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c(O)c1 ZINC000372993196 428511032 /nfs/dbraw/zinc/51/10/32/428511032.db2.gz OMLPVZSEOJVQPV-AWEZNQCLSA-N 1 0 312.417 2.810 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1cc(Cl)ccc1O ZINC000373252470 428529284 /nfs/dbraw/zinc/52/92/84/428529284.db2.gz NMXXPNFDLGWOMH-UBHSHLNASA-N 1 0 310.825 2.559 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)cc1 ZINC000373605131 428617211 /nfs/dbraw/zinc/61/72/11/428617211.db2.gz VQZQDDYYFYOTPH-IBGZPJMESA-N 1 0 318.461 2.913 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000373638019 428623672 /nfs/dbraw/zinc/62/36/72/428623672.db2.gz LUMSXLRAUXZKGJ-RDTXWAMCSA-N 1 0 321.417 2.561 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](C)CO ZINC000281047734 274252139 /nfs/dbraw/zinc/25/21/39/274252139.db2.gz ZYQJIXWHTRVKGK-GHMZBOCLSA-N 1 0 304.356 2.878 20 10 DFCDRO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)N1CCCCC1 ZINC000374260729 428670414 /nfs/dbraw/zinc/67/04/14/428670414.db2.gz YHIABIDQIRTZDQ-MRXNPFEDSA-N 1 0 302.418 2.617 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)c1cc(Cl)ccc1O ZINC000374503478 428687447 /nfs/dbraw/zinc/68/74/47/428687447.db2.gz IWAAEDAIZMEPKU-GDLCADMTSA-N 1 0 308.809 2.850 20 10 DFCDRO CN(C(=O)[C@H]1CC12CC[NH+](Cc1ccccc1O)CC2)C1CC1 ZINC000374789429 428753730 /nfs/dbraw/zinc/75/37/30/428753730.db2.gz VREBVYICMHXQGO-MRXNPFEDSA-N 1 0 314.429 2.615 20 10 DFCDRO CCOC(=O)CC[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000363287139 428899347 /nfs/dbraw/zinc/89/93/47/428899347.db2.gz ASKMGGASWQNDKJ-UHFFFAOYSA-N 1 0 320.433 2.549 20 10 DFCDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(F)ccc1O ZINC000363855232 428999270 /nfs/dbraw/zinc/99/92/70/428999270.db2.gz NDFWXRLUDUVYNI-GFCCVEGCSA-N 1 0 312.348 2.963 20 10 DFCDRO Cc1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000363854602 429000871 /nfs/dbraw/zinc/00/08/71/429000871.db2.gz MIGAJUTWIHJJEK-OCCSQVGLSA-N 1 0 300.406 2.575 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccccc1O ZINC000376521501 429128103 /nfs/dbraw/zinc/12/81/03/429128103.db2.gz RXNILGKBMWNDCU-HZPDHXFCSA-N 1 0 315.417 2.699 20 10 DFCDRO COC(=O)[C@]12CCC[C@@H]1C[N@@H+]([C@@H](C)c1cc(OC)ccc1O)C2 ZINC000364630380 429238266 /nfs/dbraw/zinc/23/82/66/429238266.db2.gz HCLGRXWFIGSECV-JCGVRSQUSA-N 1 0 319.401 2.737 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000367308718 429617940 /nfs/dbraw/zinc/61/79/40/429617940.db2.gz QSJIKNSYCSVCEJ-HZPDHXFCSA-N 1 0 314.433 2.945 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCN(c2nccnc2C)CC1 ZINC000367322332 429621494 /nfs/dbraw/zinc/62/14/94/429621494.db2.gz PVEJXBUBHALYCA-INIZCTEOSA-N 1 0 312.417 2.764 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H](OC)C[C@@H]1c1nc(C)no1 ZINC000367359678 429629652 /nfs/dbraw/zinc/62/96/52/429629652.db2.gz AOBHJNLDQDTSJN-BPLDGKMQSA-N 1 0 317.389 2.997 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1cc(Cl)ccc1O ZINC000367434910 429647806 /nfs/dbraw/zinc/64/78/06/429647806.db2.gz ABNARYRLWDMZCJ-LQBHMHGISA-N 1 0 308.809 2.753 20 10 DFCDRO C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000367180463 429591504 /nfs/dbraw/zinc/59/15/04/429591504.db2.gz UAQPTVAHUGUVDJ-JQFCIGGWSA-N 1 0 301.434 2.557 20 10 DFCDRO COc1ccc(N2CCC([NH2+]CCCOC(F)F)CC2)cc1 ZINC000367204551 429595189 /nfs/dbraw/zinc/59/51/89/429595189.db2.gz LIUHRHAYJMXKLK-UHFFFAOYSA-N 1 0 314.376 2.883 20 10 DFCDRO CC[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(C)cc1O ZINC000367258996 429606556 /nfs/dbraw/zinc/60/65/56/429606556.db2.gz GBEKHCYOJKZTBU-HOCLYGCPSA-N 1 0 302.418 2.943 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)Cc3cncnc3)CC2)cc1 ZINC000367474726 429657422 /nfs/dbraw/zinc/65/74/22/429657422.db2.gz OIDJUBNUFKTAOP-UHFFFAOYSA-N 1 0 312.417 2.586 20 10 DFCDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1c1cccs1 ZINC000367546155 429669848 /nfs/dbraw/zinc/66/98/48/429669848.db2.gz DBQPSJYXQJBQEX-CXAGYDPISA-N 1 0 316.426 2.905 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1O ZINC000367699280 429704037 /nfs/dbraw/zinc/70/40/37/429704037.db2.gz HLYSVYUPVNCCFA-AWEZNQCLSA-N 1 0 301.390 2.514 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000527811372 429804781 /nfs/dbraw/zinc/80/47/81/429804781.db2.gz RKDMJFSTDNNXNF-UHFFFAOYSA-N 1 0 320.433 2.529 20 10 DFCDRO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000368568449 429868582 /nfs/dbraw/zinc/86/85/82/429868582.db2.gz QQOWNSDTCZUFGV-KBPBESRZSA-N 1 0 321.417 2.732 20 10 DFCDRO C[C@H]([NH2+]CC12CC(C1)CO2)c1cc(Br)ccc1O ZINC000527977800 429829925 /nfs/dbraw/zinc/82/99/25/429829925.db2.gz HCZUYIIBVHRSGD-IPWFMCSPSA-N 1 0 312.207 2.984 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3nc(C)cn3C2)c1 ZINC000368314864 429830314 /nfs/dbraw/zinc/83/03/14/429830314.db2.gz GGASTCRUIOKWKH-STQMWFEESA-N 1 0 301.390 2.571 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c(O)c1C ZINC000368329751 429831868 /nfs/dbraw/zinc/83/18/68/429831868.db2.gz DXHXIKFKIVRACS-GDBMZVCRSA-N 1 0 304.434 2.523 20 10 DFCDRO CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)C(=O)N1CCCC1 ZINC000528013629 429837464 /nfs/dbraw/zinc/83/74/64/429837464.db2.gz AUNRJHYYLGZLBI-CQSZACIVSA-N 1 0 302.418 2.618 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)Cc3[nH]ncc3C)CC2)cc1 ZINC000368665202 429884788 /nfs/dbraw/zinc/88/47/88/429884788.db2.gz CNZSCWAEOVPCBV-UHFFFAOYSA-N 1 0 314.433 2.828 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2cnn(C)c2)C1 ZINC000368725632 429890716 /nfs/dbraw/zinc/89/07/16/429890716.db2.gz WXZSZJJLLKVLDL-DOTOQJQBSA-N 1 0 301.390 2.650 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCN(C2CCOCC2)CC1 ZINC000368820009 429896407 /nfs/dbraw/zinc/89/64/07/429896407.db2.gz ZYGHHOFPICDMHD-QGZVFWFLSA-N 1 0 304.434 2.640 20 10 DFCDRO c1cn2c(n1)CC[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000368846866 429897954 /nfs/dbraw/zinc/89/79/54/429897954.db2.gz UFABAIZWVJRBEA-KRWDZBQOSA-N 1 0 310.445 2.978 20 10 DFCDRO COCCC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000528574907 429900319 /nfs/dbraw/zinc/90/03/19/429900319.db2.gz UOQHIWCYLVRXOZ-UHFFFAOYSA-N 1 0 309.381 2.982 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1O ZINC000369031081 429907902 /nfs/dbraw/zinc/90/79/02/429907902.db2.gz PAVHQVKSZMEABD-UHFFFAOYSA-N 1 0 315.392 2.947 20 10 DFCDRO CN(Cc1ccccc1O)C(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000369229311 429920869 /nfs/dbraw/zinc/92/08/69/429920869.db2.gz DXVQHQQREFOZOI-FQEVSTJZSA-N 1 0 324.424 2.754 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000369291503 429922619 /nfs/dbraw/zinc/92/26/19/429922619.db2.gz AKRRDWDDPIJDNW-KRWDZBQOSA-N 1 0 310.397 2.591 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000368586790 429870863 /nfs/dbraw/zinc/87/08/63/429870863.db2.gz ZPFYARURNSKXHX-IAGOWNOFSA-N 1 0 310.397 2.756 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000368586792 429871608 /nfs/dbraw/zinc/87/16/08/429871608.db2.gz ZPFYARURNSKXHX-SJORKVTESA-N 1 0 310.397 2.756 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[NH2+]C(C)C ZINC000637435085 430052172 /nfs/dbraw/zinc/05/21/72/430052172.db2.gz AFUASJSXNWSXTF-UHFFFAOYSA-N 1 0 316.449 2.674 20 10 DFCDRO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131711131 278182838 /nfs/dbraw/zinc/18/28/38/278182838.db2.gz YDZTZZNEMWOLRJ-HNNXBMFYSA-N 1 0 303.450 2.585 20 10 DFCDRO C[C@H]([NH2+]C1CC1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000294819614 278253212 /nfs/dbraw/zinc/25/32/12/278253212.db2.gz RFUPHFMXSWNURS-HNNXBMFYSA-N 1 0 315.461 2.776 20 10 DFCDRO CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1[O-] ZINC000286027887 288039121 /nfs/dbraw/zinc/03/91/21/288039121.db2.gz KADZUBIOXFNTOX-WBVHZDCISA-N 1 0 324.440 2.809 20 10 DFCDRO COc1ccc2c(c1)N(Cc1cccc3c1CC[NH2+]C3)CCO2 ZINC000662256734 431019247 /nfs/dbraw/zinc/01/92/47/431019247.db2.gz YKHNRLGIRUVHSO-UHFFFAOYSA-N 1 0 310.397 2.740 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC000273576804 295168335 /nfs/dbraw/zinc/16/83/35/295168335.db2.gz LXPHLEVGXZXEMC-BFHYXJOUSA-N 1 0 320.433 2.698 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCN1c1cccnn1 ZINC000363466513 331917325 /nfs/dbraw/zinc/91/73/25/331917325.db2.gz AMAQZGOCGRFUNF-CQSZACIVSA-N 1 0 318.808 2.594 20 10 DFCDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000126680404 331997014 /nfs/dbraw/zinc/99/70/14/331997014.db2.gz RFRDNWCQVIEWFI-KRWDZBQOSA-N 1 0 310.445 2.970 20 10 DFCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccnc1 ZINC000293562477 335109381 /nfs/dbraw/zinc/10/93/81/335109381.db2.gz GDKGGZDWAJKVDR-GOSISDBHSA-N 1 0 312.413 2.866 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)cc1 ZINC000293604449 335110023 /nfs/dbraw/zinc/11/00/23/335110023.db2.gz JNEOGYXSJFQZFU-SFHVURJKSA-N 1 0 313.445 2.997 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCCNC(=O)[C@H]2CC(C)C)c1O ZINC000293514047 335111119 /nfs/dbraw/zinc/11/11/19/335111119.db2.gz AKHPCXJJTQHCBR-OAHLLOKOSA-N 1 0 320.433 2.528 20 10 DFCDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000293692264 335112105 /nfs/dbraw/zinc/11/21/05/335112105.db2.gz KYIUVPDDEHIZDQ-SFHVURJKSA-N 1 0 318.461 2.552 20 10 DFCDRO OCCCSCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000105643953 332990346 /nfs/dbraw/zinc/99/03/46/332990346.db2.gz DFRNOHHJPWJXPQ-UHFFFAOYSA-N 1 0 308.491 2.882 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)cc1OC ZINC000294155116 335118882 /nfs/dbraw/zinc/11/88/82/335118882.db2.gz VQGMBQDBBBLRHC-SFHVURJKSA-N 1 0 323.433 2.640 20 10 DFCDRO O=C1C[C@@H](C[NH2+]Cc2ccccc2O)CN1Cc1ccccc1 ZINC000179061735 333146177 /nfs/dbraw/zinc/14/61/77/333146177.db2.gz OXWHZTHMJJSYST-INIZCTEOSA-N 1 0 310.397 2.531 20 10 DFCDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000185190015 333205349 /nfs/dbraw/zinc/20/53/49/333205349.db2.gz UCNZYXMKJHNQKY-UKRRQHHQSA-N 1 0 307.390 2.804 20 10 DFCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)cc1C ZINC000363945021 333206249 /nfs/dbraw/zinc/20/62/49/333206249.db2.gz IWCYJCJOFVYLFT-HNNXBMFYSA-N 1 0 305.418 2.779 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@@H](CC)[C@H](O)C(F)F)c(O)c1 ZINC000295003419 335129889 /nfs/dbraw/zinc/12/98/89/335129889.db2.gz IRDSSHLXOXFHQH-JSGCOSHPSA-N 1 0 303.349 2.675 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+](C)[C@@H](C)C(C)(C)O)cc2)CC1 ZINC000295227295 335131389 /nfs/dbraw/zinc/13/13/89/335131389.db2.gz WJFJVHGDSBGBLJ-HNNXBMFYSA-N 1 0 320.477 2.893 20 10 DFCDRO COc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1C ZINC000295100628 335132184 /nfs/dbraw/zinc/13/21/84/335132184.db2.gz KKMDJPZFOYSDPY-KRWDZBQOSA-N 1 0 303.377 2.836 20 10 DFCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H](O)C(F)F ZINC000295083827 335132197 /nfs/dbraw/zinc/13/21/97/335132197.db2.gz QSZQQDAXANZDBI-BXKDBHETSA-N 1 0 309.740 2.548 20 10 DFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC=CO1 ZINC000193639055 333305207 /nfs/dbraw/zinc/30/52/07/333305207.db2.gz CECSKOLCMUKJDO-GOSISDBHSA-N 1 0 302.418 2.648 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)c2cccnc2)C2CC2)cc1 ZINC000295434643 335134933 /nfs/dbraw/zinc/13/49/33/335134933.db2.gz FXWOUUDOFVWOGT-LJQANCHMSA-N 1 0 311.429 2.846 20 10 DFCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)CC2 ZINC000296177042 335141844 /nfs/dbraw/zinc/14/18/44/335141844.db2.gz XXFSHTXFODMZMX-HOCLYGCPSA-N 1 0 317.360 2.548 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](O)[C@H]3C)cc2)CC1 ZINC000296330666 335143662 /nfs/dbraw/zinc/14/36/62/335143662.db2.gz QSVIMZPCBZYWBL-BEFAXECRSA-N 1 0 318.461 2.647 20 10 DFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](O)[C@@H]3C)cc2)CC1 ZINC000296330675 335143723 /nfs/dbraw/zinc/14/37/23/335143723.db2.gz QSVIMZPCBZYWBL-HNAYVOBHSA-N 1 0 318.461 2.647 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1O ZINC000296369731 335143974 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CC[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(C)cc1O ZINC000280193666 334114870 /nfs/dbraw/zinc/11/48/70/334114870.db2.gz SJUNNHAUBMDKNQ-NVXWUHKLSA-N 1 0 306.450 2.588 20 10 DFCDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc(Br)cc1O ZINC000529646061 335650273 /nfs/dbraw/zinc/65/02/73/335650273.db2.gz WQWKBPTVRCLTLS-YGRLFVJLSA-N 1 0 312.207 2.812 20 10 DFCDRO Oc1cc2c(cc1CN1CCC([NH2+]C3CCCC3)CC1)OCO2 ZINC000367418894 336822252 /nfs/dbraw/zinc/82/22/52/336822252.db2.gz MIYWFUGROPBICG-UHFFFAOYSA-N 1 0 318.417 2.618 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(C)n3C2)cc1 ZINC000369453139 336864754 /nfs/dbraw/zinc/86/47/54/336864754.db2.gz SNDUAXMWHPKSJM-BBRMVZONSA-N 1 0 313.449 2.708 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1C ZINC000375420320 337010928 /nfs/dbraw/zinc/01/09/28/337010928.db2.gz SRPUBCJISWWCID-LMMKCTJWSA-N 1 0 319.445 2.761 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(C)cc1O ZINC000375651561 337015551 /nfs/dbraw/zinc/01/55/51/337015551.db2.gz 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337059177 /nfs/dbraw/zinc/05/91/77/337059177.db2.gz RSMBWYPLLYZATI-HZPDHXFCSA-N 1 0 314.433 2.566 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@H]1N1CCOCC1 ZINC000378340889 337070294 /nfs/dbraw/zinc/07/02/94/337070294.db2.gz IXQPJAHJJQVUGG-FUHWJXTLSA-N 1 0 318.461 2.552 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(n3ccc(C)n3)CC2)c1 ZINC000378351916 337070795 /nfs/dbraw/zinc/07/07/95/337070795.db2.gz UTAKLIONHIEICD-UHFFFAOYSA-N 1 0 301.390 2.743 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1F ZINC000378369927 337071056 /nfs/dbraw/zinc/07/10/56/337071056.db2.gz MFECKDLMWYLZLI-JKSUJKDBSA-N 1 0 310.438 2.598 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378380718 337071291 /nfs/dbraw/zinc/07/12/91/337071291.db2.gz VTNUMFSSWCMODK-AEFFLSMTSA-N 1 0 315.417 2.522 20 10 DFCDRO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(N(C)C)cc1 ZINC000178050730 337160071 /nfs/dbraw/zinc/16/00/71/337160071.db2.gz YYPURVPPPNZMHJ-CQSZACIVSA-N 1 0 322.416 2.579 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1O ZINC000180070535 337173575 /nfs/dbraw/zinc/17/35/75/337173575.db2.gz KXSLBQMEURJJFT-HNNXBMFYSA-N 1 0 312.417 2.618 20 10 DFCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1 ZINC000180640832 337176759 /nfs/dbraw/zinc/17/67/59/337176759.db2.gz TXRDUDDFHYNGMU-HNNXBMFYSA-N 1 0 301.390 2.644 20 10 DFCDRO Cc1cnn(-c2cc[nH+]cc2NCc2cc3c(cc2O)OCO3)c1 ZINC000182667653 337189411 /nfs/dbraw/zinc/18/94/11/337189411.db2.gz NWHRSIZZAAVTCI-UHFFFAOYSA-N 1 0 324.340 2.622 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)c1 ZINC000185025369 337201427 /nfs/dbraw/zinc/20/14/27/337201427.db2.gz SCVSBZRNOLGNPG-ZDUSSCGKSA-N 1 0 309.373 2.527 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000184989416 337202195 /nfs/dbraw/zinc/20/21/95/337202195.db2.gz BXXFWPMXQQWRLU-ZDUSSCGKSA-N 1 0 324.384 2.832 20 10 DFCDRO C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(F)ccc1O ZINC000184989823 337202242 /nfs/dbraw/zinc/20/22/42/337202242.db2.gz PVDPBVDKHIYYQQ-LBPRGKRZSA-N 1 0 312.348 2.963 20 10 DFCDRO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)CC2 ZINC000185997536 337252434 /nfs/dbraw/zinc/25/24/34/337252434.db2.gz JWSNGWWPPJDTFU-AAEUAGOBSA-N 1 0 318.396 2.912 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000186930018 337260530 /nfs/dbraw/zinc/26/05/30/337260530.db2.gz FPLUQLZOZCARQO-UHOSZYNNSA-N 1 0 323.440 2.903 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000230313524 337271359 /nfs/dbraw/zinc/27/13/59/337271359.db2.gz FTLXLNSFQBBJQW-JSGCOSHPSA-N 1 0 312.207 2.812 20 10 DFCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CC[C@H](C)O3)CC2)cc1 ZINC000188571834 337274066 /nfs/dbraw/zinc/27/40/66/337274066.db2.gz XDHQBEGDYJOMIB-MAUKXSAKSA-N 1 0 304.434 2.775 20 10 DFCDRO COc1cccc(C[NH+]2CCC(Nc3nccs3)CC2)c1O ZINC000189949904 337284064 /nfs/dbraw/zinc/28/40/64/337284064.db2.gz RUTCRJPPMVKJIH-UHFFFAOYSA-N 1 0 319.430 2.934 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN2c2cccnn2)c1 ZINC000359961891 337440967 /nfs/dbraw/zinc/44/09/67/337440967.db2.gz UESYVALMKVAVMQ-LSDHHAIUSA-N 1 0 312.417 2.810 20 10 DFCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249841 340783822 /nfs/dbraw/zinc/78/38/22/340783822.db2.gz ZCGLETAREBLKBJ-HNNXBMFYSA-N 1 0 324.852 2.636 20 10 DFCDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180016584 519506825 /nfs/dbraw/zinc/50/68/25/519506825.db2.gz VRWLDOIIASQREJ-CYBMUJFWSA-N 1 0 308.397 2.516 20 10 DFCDRO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000268818643 519645885 /nfs/dbraw/zinc/64/58/85/519645885.db2.gz GHMRHIVKIITTIY-NVPAJSRCSA-N 1 0 303.450 2.851 20 10 DFCDRO CC(C)[N@H+](CC[C@H]1CCOC1=O)Cc1ccc(N(C)C)cc1 ZINC000267876644 519650723 /nfs/dbraw/zinc/65/07/23/519650723.db2.gz FJBLHIOEKLKDHP-INIZCTEOSA-N 1 0 304.434 2.916 20 10 DFCDRO Oc1cc2c(cc1CN1CCC([NH+]3CCCCC3)CC1)OCO2 ZINC000299643239 534450156 /nfs/dbraw/zinc/45/01/56/534450156.db2.gz IIYOQTWGWUSCSP-UHFFFAOYSA-N 1 0 318.417 2.571 20 10 DFCDRO CCC1(CO)CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000127983024 519844437 /nfs/dbraw/zinc/84/44/37/519844437.db2.gz UMIPYYJRHCLBLX-UHFFFAOYSA-N 1 0 309.381 2.718 20 10 DFCDRO CCCOc1ccc(C[NH2+]Cc2ccc(C(=O)OC)o2)c(O)c1 ZINC000265113436 520368907 /nfs/dbraw/zinc/36/89/07/520368907.db2.gz BRQMCTVPULGYAA-UHFFFAOYSA-N 1 0 319.357 2.850 20 10 DFCDRO CCOC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000158083009 520576273 /nfs/dbraw/zinc/57/62/73/520576273.db2.gz IFWNVNITPVEIRN-UHFFFAOYSA-N 1 0 308.397 2.667 20 10 DFCDRO CCOC(=O)C1CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000158106192 520577232 /nfs/dbraw/zinc/57/72/32/520577232.db2.gz SKGZQNNUNXUKJY-UHFFFAOYSA-N 1 0 307.390 2.566 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000237045895 521150291 /nfs/dbraw/zinc/15/02/91/521150291.db2.gz VNQOORDEMATBML-QGZVFWFLSA-N 1 0 305.349 2.753 20 10 DFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000131872706 521337142 /nfs/dbraw/zinc/33/71/42/521337142.db2.gz ITMXTBUEIJQFSQ-OAHLLOKOSA-N 1 0 301.390 2.862 20 10 DFCDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000183050964 521936885 /nfs/dbraw/zinc/93/68/85/521936885.db2.gz RHEHUFXTAOTESM-GJZGRUSLSA-N 1 0 305.466 2.735 20 10 DFCDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000237129245 522051244 /nfs/dbraw/zinc/05/12/44/522051244.db2.gz SSPFGSBDMCOMJE-KRWDZBQOSA-N 1 0 311.429 2.918 20 10 DFCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OC)c1O ZINC000266972340 522692202 /nfs/dbraw/zinc/69/22/02/522692202.db2.gz OTTCQJIDSVORPD-INIZCTEOSA-N 1 0 301.386 2.748 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(C)cc1O ZINC000366419195 522708737 /nfs/dbraw/zinc/70/87/37/522708737.db2.gz RJGSFJBQJZLYAK-LUYZLQTOSA-N 1 0 302.418 2.751 20 10 DFCDRO CCn1cc(C2CC[NH+](Cc3cc(OC)ccc3O)CC2)cn1 ZINC000179979606 523358190 /nfs/dbraw/zinc/35/81/90/523358190.db2.gz MSBVKCRHGYUYQI-UHFFFAOYSA-N 1 0 315.417 2.997 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@H]3C[C@@H](CO)c4ccccc43)ccc21 ZINC000364987360 523997594 /nfs/dbraw/zinc/99/75/94/523997594.db2.gz FMWIPNTTZDNMGO-LPHOPBHVSA-N 1 0 308.425 2.989 20 10 DFCDRO C[C@H](C[N@H+](C)Cc1cc2c(cc1O)OCO2)c1nccs1 ZINC000182838989 524296989 /nfs/dbraw/zinc/29/69/89/524296989.db2.gz CAMMUELPYVHDOH-SNVBAGLBSA-N 1 0 306.387 2.813 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000182635797 524755275 /nfs/dbraw/zinc/75/52/75/524755275.db2.gz WAYNSAWMAOASHR-BBRMVZONSA-N 1 0 309.431 2.545 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000180406563 524866434 /nfs/dbraw/zinc/86/64/34/524866434.db2.gz KSGYRXBZKQUVGH-GFCCVEGCSA-N 1 0 309.715 2.853 20 10 DFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccccc1O ZINC000179902150 525380770 /nfs/dbraw/zinc/38/07/70/525380770.db2.gz IISWXKXFDWGCBA-GXTWGEPZSA-N 1 0 305.349 2.622 20 10 DFCDRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000186870860 525432127 /nfs/dbraw/zinc/43/21/27/525432127.db2.gz RSLIIBDNLKSGBG-CQSZACIVSA-N 1 0 312.479 2.618 20 10 DFCDRO COc1cccc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000179963096 525950945 /nfs/dbraw/zinc/95/09/45/525950945.db2.gz ALWRNFJZCMPIFV-ZDUSSCGKSA-N 1 0 307.390 2.564 20 10 DFCDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(C)n1-c1ccc(F)cc1 ZINC000178565605 526260045 /nfs/dbraw/zinc/26/00/45/526260045.db2.gz NXVUVOVSZUXKJV-CQSZACIVSA-N 1 0 315.392 2.654 20 10 DFCDRO O=C(C1CC1)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000129935659 526284455 /nfs/dbraw/zinc/28/44/55/526284455.db2.gz VSQGCEBMMUHTID-UHFFFAOYSA-N 1 0 324.424 2.990 20 10 DFCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1)OCO2 ZINC000237958030 526335848 /nfs/dbraw/zinc/33/58/48/526335848.db2.gz ASGWGOHNGBDFEP-CQSZACIVSA-N 1 0 321.760 2.598 20 10 DFCDRO Oc1cc2c(cc1C[NH2+]CC1(c3ccccn3)CCC1)OCO2 ZINC000367595253 526336611 /nfs/dbraw/zinc/33/66/11/526336611.db2.gz ATQHALVRYNTVTH-UHFFFAOYSA-N 1 0 312.369 2.727 20 10 DFCDRO Oc1ccc(F)cc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000180921985 526349003 /nfs/dbraw/zinc/34/90/03/526349003.db2.gz DBUNRHGDLGYACZ-UHFFFAOYSA-N 1 0 322.424 2.656 20 10 DFCDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128534852 526363394 /nfs/dbraw/zinc/36/33/94/526363394.db2.gz RXRHTIWTJVGSIG-LBPRGKRZSA-N 1 0 306.797 2.549 20 10 DFCDRO Oc1ccccc1C[N@H+](CCCn1ccnc1)C[C@H]1CCCO1 ZINC000182897949 526371898 /nfs/dbraw/zinc/37/18/98/526371898.db2.gz DKGWOIAMWMHCCH-QGZVFWFLSA-N 1 0 315.417 2.660 20 10 DFCDRO O=C1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CN1C1CC1 ZINC000267032364 527019636 /nfs/dbraw/zinc/01/96/36/527019636.db2.gz BERMRSJCOGLEIG-QGZVFWFLSA-N 1 0 322.408 2.912 20 10 DFCDRO O=C1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CN1C1CC1 ZINC000267032360 527028375 /nfs/dbraw/zinc/02/83/75/527028375.db2.gz BERMRSJCOGLEIG-KRWDZBQOSA-N 1 0 322.408 2.912 20 10 DFCDRO Nc1ccc(CC(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000238111133 527476747 /nfs/dbraw/zinc/47/67/47/527476747.db2.gz MMQKSWYEFVFWRI-UHFFFAOYSA-N 1 0 303.450 2.584 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(=O)[nH]n2)cc1F ZINC000286290454 535686546 /nfs/dbraw/zinc/68/65/46/535686546.db2.gz WFKAXLAPUFSFRH-LBPRGKRZSA-N 1 0 318.396 2.606 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000284222450 535765547 /nfs/dbraw/zinc/76/55/47/535765547.db2.gz CWDITKUWEVEAJF-QILLFSRXSA-N 1 0 322.493 2.951 20 10 DFCDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000274596573 535782308 /nfs/dbraw/zinc/78/23/08/535782308.db2.gz GMAFRJDUEMBCBC-KBPBESRZSA-N 1 0 306.406 2.890 20 10 DFCDRO COc1cc(O)c(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc1OC ZINC000273208430 536856849 /nfs/dbraw/zinc/85/68/49/536856849.db2.gz SLWIGGRYBSNDOB-CHWSQXEVSA-N 1 0 309.406 2.704 20 10 DFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000737271373 599102128 /nfs/dbraw/zinc/10/21/28/599102128.db2.gz UIRTWVSHAIDUIM-UHFFFAOYSA-N 1 0 322.416 2.531 20 10 DFCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824530684 608458817 /nfs/dbraw/zinc/45/88/17/608458817.db2.gz MSVOTCBHYBRBOK-RYUDHWBXSA-N 1 0 309.373 2.984 20 10 DFCDRO Cc1cccc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000826298150 608581564 /nfs/dbraw/zinc/58/15/64/608581564.db2.gz GJIPLZDRLFIXKG-UHFFFAOYSA-N 1 0 309.373 2.513 20 10 DFCDRO OCCCCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000079321400 185165067 /nfs/dbraw/zinc/16/50/67/185165067.db2.gz RORILQDPBDFDPZ-KRWDZBQOSA-N 1 0 307.434 2.926 20 10 DFCDRO COc1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)cc1C ZINC000030900929 398507726 /nfs/dbraw/zinc/50/77/26/398507726.db2.gz OTZBFXLXIKOKKG-UHFFFAOYSA-N 1 0 322.412 2.933 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2C)c1O ZINC000091967587 398550895 /nfs/dbraw/zinc/55/08/95/398550895.db2.gz PTXUZSMTTIHHGO-OAHLLOKOSA-N 1 0 301.390 2.780 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000093870512 398648501 /nfs/dbraw/zinc/64/85/01/398648501.db2.gz NPAKEMJWEKIOMV-CQSZACIVSA-N 1 0 315.417 2.589 20 10 DFCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000284402562 299349952 /nfs/dbraw/zinc/34/99/52/299349952.db2.gz PTPVNARGGRMEMY-YSVLISHTSA-N 1 0 308.466 2.561 20 10 DFCDRO Cc1ccc(N(C)C2CC[NH+](Cc3ccccc3O)CC2)nn1 ZINC000271469668 129918519 /nfs/dbraw/zinc/91/85/19/129918519.db2.gz YVEPOIIWXFHLON-UHFFFAOYSA-N 1 0 312.417 2.591 20 10 DFCDRO CC[N@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000272752532 130059423 /nfs/dbraw/zinc/05/94/23/130059423.db2.gz NXMZTAXVUBQDOG-UHFFFAOYSA-N 1 0 315.417 2.889 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1O ZINC000272886818 130071528 /nfs/dbraw/zinc/07/15/28/130071528.db2.gz RWQRDSZYAVCCMA-ZDUSSCGKSA-N 1 0 319.426 2.788 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1O ZINC000273084318 130087962 /nfs/dbraw/zinc/08/79/62/130087962.db2.gz RJRPFOJUGUYMHQ-IRXDYDNUSA-N 1 0 307.365 2.781 20 10 DFCDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1cc(Br)ccc1O ZINC000273081462 130088097 /nfs/dbraw/zinc/08/80/97/130088097.db2.gz MKVAHHOGPMEKOD-JTQLQIEISA-N 1 0 324.222 2.782 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000273398303 130117510 /nfs/dbraw/zinc/11/75/10/130117510.db2.gz MKIDAIKDHGSKAE-VHSXEESVSA-N 1 0 300.196 2.842 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(Br)cc1O ZINC000273420133 130118966 /nfs/dbraw/zinc/11/89/66/130118966.db2.gz RXSHNSVIDQQBMX-VHSXEESVSA-N 1 0 300.196 2.842 20 10 DFCDRO C[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCCC1 ZINC000273420172 130118977 /nfs/dbraw/zinc/11/89/77/130118977.db2.gz RYYWDOBGRACTEM-CHWSQXEVSA-N 1 0 307.394 2.683 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(Br)cc1O ZINC000273420131 130119768 /nfs/dbraw/zinc/11/97/68/130119768.db2.gz RXSHNSVIDQQBMX-UWVGGRQHSA-N 1 0 300.196 2.842 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ncccc2F)c1 ZINC000273470887 130125157 /nfs/dbraw/zinc/12/51/57/130125157.db2.gz JTFLVYVIXOKFCV-NSHDSACASA-N 1 0 306.337 2.665 20 10 DFCDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc2ccccc2c1O ZINC000273619949 130145225 /nfs/dbraw/zinc/14/52/25/130145225.db2.gz YSMNFKMOPASGQL-SJCJKPOMSA-N 1 0 311.385 2.663 20 10 DFCDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000273618414 130145725 /nfs/dbraw/zinc/14/57/25/130145725.db2.gz YIEJRTOAEFRRFN-UWVGGRQHSA-N 1 0 302.212 2.824 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274282448 130223789 /nfs/dbraw/zinc/22/37/89/130223789.db2.gz VPYGLLDUIWWLRG-UHFFFAOYSA-N 1 0 309.822 2.680 20 10 DFCDRO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc(F)ccc1O ZINC000274450594 130235649 /nfs/dbraw/zinc/23/56/49/130235649.db2.gz YSUVLMOTQTYQLV-JTQLQIEISA-N 1 0 307.394 2.727 20 10 DFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC(C)(C)O1 ZINC000274801984 130263255 /nfs/dbraw/zinc/26/32/55/130263255.db2.gz VKBDEPPRFGFHDS-GOSISDBHSA-N 1 0 318.461 2.913 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)cc1F ZINC000274801882 130263459 /nfs/dbraw/zinc/26/34/59/130263459.db2.gz OSKGEZVNSPMTOS-MRXNPFEDSA-N 1 0 302.393 2.585 20 10 DFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC(C)(C)O1 ZINC000274801988 130263749 /nfs/dbraw/zinc/26/37/49/130263749.db2.gz VKBDEPPRFGFHDS-SFHVURJKSA-N 1 0 318.461 2.913 20 10 DFCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000284174645 131055526 /nfs/dbraw/zinc/05/55/26/131055526.db2.gz FOIFYNUYVUKAJU-JVLSTEMRSA-N 1 0 315.841 2.854 20 10 DFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c(O)c1 ZINC000284281278 131066003 /nfs/dbraw/zinc/06/60/03/131066003.db2.gz XJOSBSJOLLNWSW-CVEARBPZSA-N 1 0 306.450 2.506 20 10 DFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c(O)c1 ZINC000284281282 131066056 /nfs/dbraw/zinc/06/60/56/131066056.db2.gz XJOSBSJOLLNWSW-HOTGVXAUSA-N 1 0 306.450 2.506 20 10 DFCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000284908369 131121333 /nfs/dbraw/zinc/12/13/33/131121333.db2.gz GDNDGWYNGUKGKK-KRWDZBQOSA-N 1 0 318.392 2.932 20 10 DFCDRO C[C@@H]1CN(c2ccc(C[NH2+]CC3(C)COC3)cc2F)C[C@H](C)O1 ZINC000285350381 131159575 /nfs/dbraw/zinc/15/95/75/131159575.db2.gz DOFSHSZPTGFVAN-OKILXGFUSA-N 1 0 322.424 2.565 20 10 DFCDRO CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000285687752 131193443 /nfs/dbraw/zinc/19/34/43/131193443.db2.gz OIBQXOVDFJNNDC-QGZVFWFLSA-N 1 0 323.456 2.598 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(C)cc1O ZINC000287251424 131271050 /nfs/dbraw/zinc/27/10/50/131271050.db2.gz ZLAZETMNPOJKFX-ZFWWWQNUSA-N 1 0 311.447 2.566 20 10 DFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000287779913 131299763 /nfs/dbraw/zinc/29/97/63/131299763.db2.gz AJNUDGNDTRCXEN-HNNXBMFYSA-N 1 0 320.481 2.623 20 10 DFCDRO Oc1ccccc1C[NH2+]CCCn1cc(Br)cn1 ZINC000288392103 131323666 /nfs/dbraw/zinc/32/36/66/131323666.db2.gz HDDSJDNBFJMRBH-UHFFFAOYSA-N 1 0 310.195 2.531 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000289179814 131363543 /nfs/dbraw/zinc/36/35/43/131363543.db2.gz AIBVQOXJVZRQLM-AWEZNQCLSA-N 1 0 321.417 2.955 20 10 DFCDRO CCOc1cccc(C[N@H+](CCOC)Cc2ccccn2)c1O ZINC000289380818 131381080 /nfs/dbraw/zinc/38/10/80/131381080.db2.gz BVCTXLPBGYCYTL-UHFFFAOYSA-N 1 0 316.401 2.835 20 10 DFCDRO COc1cccc(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)c1O ZINC000289514948 131392589 /nfs/dbraw/zinc/39/25/89/131392589.db2.gz VAFPPPOYJPFWOK-CQSZACIVSA-N 1 0 320.414 2.999 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)cc1F ZINC000293028386 131701575 /nfs/dbraw/zinc/70/15/75/131701575.db2.gz PPZBNOAFCCLDTA-INIZCTEOSA-N 1 0 315.392 2.598 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1O ZINC000295851688 131924739 /nfs/dbraw/zinc/92/47/39/131924739.db2.gz DKLXRVFAWBWRBT-XKQJLSEDSA-N 1 0 319.376 2.781 20 10 DFCDRO CN(C)C(=O)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCCC1 ZINC000297918524 132040549 /nfs/dbraw/zinc/04/05/49/132040549.db2.gz WZOJMIZBCGSGNO-CQSZACIVSA-N 1 0 302.418 2.618 20 10 DFCDRO Nc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC000298569600 132068657 /nfs/dbraw/zinc/06/86/57/132068657.db2.gz IQABTVHONVGIQO-MRXNPFEDSA-N 1 0 313.401 2.551 20 10 DFCDRO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1O)c1cccs1 ZINC000299536817 132109922 /nfs/dbraw/zinc/10/99/22/132109922.db2.gz UJNLOGFVNJEUSH-CYBMUJFWSA-N 1 0 319.430 2.556 20 10 DFCDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+]C2)c(C)n1-c1ccccc1C ZINC000120376739 132142051 /nfs/dbraw/zinc/14/20/51/132142051.db2.gz OZUWAJAJFTXQRA-INIZCTEOSA-N 1 0 311.429 2.884 20 10 DFCDRO COc1ccc(C[NH2+]CCn2cc(Br)cn2)cc1C ZINC000285606999 542998398 /nfs/dbraw/zinc/99/83/98/542998398.db2.gz XDELBGLGUQFDDL-UHFFFAOYSA-N 1 0 324.222 2.752 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCOC1 ZINC000268871825 287051049 /nfs/dbraw/zinc/05/10/49/287051049.db2.gz HRZQCAVNEYYQEF-LZWOXQAQSA-N 1 0 322.424 2.738 20 10 DFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC1CC[NH+](C)CC1 ZINC000054148181 425889677 /nfs/dbraw/zinc/88/96/77/425889677.db2.gz HUQATRZIEJXKDF-UHFFFAOYSA-N 1 0 317.458 2.980 20 10 DFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000066652530 425905730 /nfs/dbraw/zinc/90/57/30/425905730.db2.gz BJWBYCKLOADJJC-AWEZNQCLSA-N 1 0 317.458 2.837 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000102827310 425929580 /nfs/dbraw/zinc/92/95/80/425929580.db2.gz SNYVGSFHELLQTH-OAHLLOKOSA-N 1 0 322.836 2.918 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1O ZINC000037648217 425848826 /nfs/dbraw/zinc/84/88/26/425848826.db2.gz IQZJSGOBADJFTO-RYUDHWBXSA-N 1 0 302.340 2.927 20 10 DFCDRO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109770529 426032556 /nfs/dbraw/zinc/03/25/56/426032556.db2.gz ODMVXFONCGUVSQ-ZDUSSCGKSA-N 1 0 316.405 2.629 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000113338341 426112783 /nfs/dbraw/zinc/11/27/83/426112783.db2.gz MVYXKCDLGBZINM-LBPRGKRZSA-N 1 0 318.808 2.594 20 10 DFCDRO Cc1cnc(CC[N@@H+](C)Cc2cc3c(cc2O)OCO3)s1 ZINC000165203501 426122089 /nfs/dbraw/zinc/12/20/89/426122089.db2.gz NSVPEYMZXJWEQP-UHFFFAOYSA-N 1 0 306.387 2.560 20 10 DFCDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(C)c(C)cc3O)[C@H]2C1 ZINC000165304085 426122715 /nfs/dbraw/zinc/12/27/15/426122715.db2.gz VFJHCVHWYAFEOB-SOLBZPMBSA-N 1 0 305.418 2.777 20 10 DFCDRO CC[C@@H]([NH2+][C@H](C)CO[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000166463519 426127785 /nfs/dbraw/zinc/12/77/85/426127785.db2.gz JFSOWKLATPPSNR-ZTFGCOKTSA-N 1 0 306.450 2.987 20 10 DFCDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166853020 426129923 /nfs/dbraw/zinc/12/99/23/426129923.db2.gz WRABRQSOLLYQQE-CABCVRRESA-N 1 0 324.440 2.722 20 10 DFCDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166852922 426130097 /nfs/dbraw/zinc/13/00/97/426130097.db2.gz WRABRQSOLLYQQE-LSDHHAIUSA-N 1 0 324.440 2.722 20 10 DFCDRO COc1ccc(N2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)CC2)cc1 ZINC000162840002 426080369 /nfs/dbraw/zinc/08/03/69/426080369.db2.gz CXXNYXRJXKLJAH-KRWDZBQOSA-N 1 0 317.477 2.692 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H](C)CO)c1cc(Br)ccc1O ZINC000086623139 426260041 /nfs/dbraw/zinc/26/00/41/426260041.db2.gz FYLGJASQQRIKTI-JOYOIKCWSA-N 1 0 302.212 2.824 20 10 DFCDRO CC[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000119107395 426262773 /nfs/dbraw/zinc/26/27/73/426262773.db2.gz SKUMBSQOIJBDDI-ROUUACIJSA-N 1 0 306.450 2.989 20 10 DFCDRO COc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1O ZINC000151451605 426296971 /nfs/dbraw/zinc/29/69/71/426296971.db2.gz MSUQQTGWNXIDGD-CZUORRHYSA-N 1 0 309.431 2.545 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCOC1 ZINC000119756415 426302073 /nfs/dbraw/zinc/30/20/73/426302073.db2.gz HRZQCAVNEYYQEF-SQWLQELKSA-N 1 0 322.424 2.738 20 10 DFCDRO CC[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[NH+](C)C ZINC000119966810 426305114 /nfs/dbraw/zinc/30/51/14/426305114.db2.gz IZSMGRRCBXVKOA-SFHVURJKSA-N 1 0 317.477 2.879 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c1 ZINC000121177425 426321832 /nfs/dbraw/zinc/32/18/32/426321832.db2.gz APJIZVFQRCGMLK-UHFFFAOYSA-N 1 0 322.449 2.821 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]CCc2cnn(C)c2)cc1F ZINC000152091303 426326234 /nfs/dbraw/zinc/32/62/34/426326234.db2.gz ZQXVLQXDXDWGFX-UHFFFAOYSA-N 1 0 304.413 2.738 20 10 DFCDRO COc1ccc(N2CC[NH+](CCCOC(C)C)CC2)cc1F ZINC000121995537 426356109 /nfs/dbraw/zinc/35/61/09/426356109.db2.gz AWLMHIZGNCOSSM-UHFFFAOYSA-N 1 0 310.413 2.771 20 10 DFCDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152976834 426363585 /nfs/dbraw/zinc/36/35/85/426363585.db2.gz ZLJOLJIQLJCEDR-UKRRQHHQSA-N 1 0 310.413 2.738 20 10 DFCDRO OC[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000153116378 426371753 /nfs/dbraw/zinc/37/17/53/426371753.db2.gz QAWWIASHQGAKCI-GSJFWJNXSA-N 1 0 314.223 2.795 20 10 DFCDRO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000176985295 426431279 /nfs/dbraw/zinc/43/12/79/426431279.db2.gz YDUZRTOKJQKQFK-LBPRGKRZSA-N 1 0 308.397 2.829 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1 ZINC000154691419 426450464 /nfs/dbraw/zinc/45/04/64/426450464.db2.gz UZDSSKHYLFXWAR-IIBYNOLFSA-N 1 0 303.427 2.910 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H](C[NH+](C)C)C2)c1O ZINC000177169855 426450052 /nfs/dbraw/zinc/45/00/52/426450052.db2.gz OOZSWQMCWUCLGZ-GFCCVEGCSA-N 1 0 310.825 2.632 20 10 DFCDRO CC[N@H+](Cc1cncn1C)Cc1cc(Br)ccc1O ZINC000177174681 426450272 /nfs/dbraw/zinc/45/02/72/426450272.db2.gz DGYDGDPVYNAHEH-UHFFFAOYSA-N 1 0 324.222 2.910 20 10 DFCDRO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000154724591 426453411 /nfs/dbraw/zinc/45/34/11/426453411.db2.gz VRYKYYWXPDYIPQ-VGSWGCGISA-N 1 0 315.438 2.831 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1ccccc1O ZINC000154980515 426461053 /nfs/dbraw/zinc/46/10/53/426461053.db2.gz PLMMFPDKDPANBV-IRXDYDNUSA-N 1 0 306.450 2.790 20 10 DFCDRO CC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccccc1O ZINC000155033359 426461951 /nfs/dbraw/zinc/46/19/51/426461951.db2.gz MYFVIHCMSKOOAY-HNNXBMFYSA-N 1 0 314.433 2.994 20 10 DFCDRO Oc1cc2c(cc1C[NH+]1CCC(C(F)(F)F)CC1)OCO2 ZINC000097987270 426475696 /nfs/dbraw/zinc/47/56/96/426475696.db2.gz ILIUNFKFXRGGLV-UHFFFAOYSA-N 1 0 303.280 2.895 20 10 DFCDRO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000101539053 426484464 /nfs/dbraw/zinc/48/44/64/426484464.db2.gz KZXLRRMLYMSDIK-INIZCTEOSA-N 1 0 304.434 2.890 20 10 DFCDRO CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(C)cc1O ZINC000280239265 426527302 /nfs/dbraw/zinc/52/73/02/426527302.db2.gz VXXRYJLHURXQBR-AWEZNQCLSA-N 1 0 311.447 2.566 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(OC)CC2)cc1OC ZINC000280253989 426531862 /nfs/dbraw/zinc/53/18/62/426531862.db2.gz LIWDFLJHRKAZDJ-QGZVFWFLSA-N 1 0 309.406 2.800 20 10 DFCDRO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186541120 426546493 /nfs/dbraw/zinc/54/64/93/426546493.db2.gz ZCKJIFACHFKIGM-IRWWLHRVSA-N 1 0 320.252 2.572 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c1 ZINC000186171412 426490347 /nfs/dbraw/zinc/49/03/47/426490347.db2.gz PFVOJQHPSMXQLV-KGLIPLIRSA-N 1 0 313.401 2.725 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 ZINC000186171363 426490411 /nfs/dbraw/zinc/49/04/11/426490411.db2.gz PFVOJQHPSMXQLV-UONOGXRCSA-N 1 0 313.401 2.725 20 10 DFCDRO C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)Cc1ccccc1O ZINC000264610933 426575633 /nfs/dbraw/zinc/57/56/33/426575633.db2.gz NNVQBRMSUSBCIM-CQSZACIVSA-N 1 0 304.434 2.909 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)CCCCO)c(C(F)(F)F)c1 ZINC000280467039 426581862 /nfs/dbraw/zinc/58/18/62/426581862.db2.gz CHABJMBXRNUYGF-UHFFFAOYSA-N 1 0 304.356 2.976 20 10 DFCDRO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000224791402 426594086 /nfs/dbraw/zinc/59/40/86/426594086.db2.gz BUZVKXSKZLEIMJ-CQSZACIVSA-N 1 0 306.406 2.800 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC000280584361 426607395 /nfs/dbraw/zinc/60/73/95/426607395.db2.gz WYUZXUPALRHGNC-SUNYJGFJSA-N 1 0 321.417 2.559 20 10 DFCDRO OC[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CCCC1 ZINC000289639359 426671060 /nfs/dbraw/zinc/67/10/60/426671060.db2.gz PXKCCJIMFCIHOX-ZDUSSCGKSA-N 1 0 314.223 2.795 20 10 DFCDRO CCOc1ccc(O)c(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000289737845 426672056 /nfs/dbraw/zinc/67/20/56/426672056.db2.gz PZYWPHRVYBKWDK-ZBFHGGJFSA-N 1 0 304.434 2.850 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000289835629 426675572 /nfs/dbraw/zinc/67/55/72/426675572.db2.gz ULTAJROGPLUCAI-CQSZACIVSA-N 1 0 319.323 2.680 20 10 DFCDRO CN(C)C(C)(C)C[NH2+]Cc1cc(Br)ccc1O ZINC000227434280 426626454 /nfs/dbraw/zinc/62/64/54/426626454.db2.gz RSNBHIBARLJLRI-UHFFFAOYSA-N 1 0 301.228 2.585 20 10 DFCDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178430675 426628195 /nfs/dbraw/zinc/62/81/95/426628195.db2.gz HMAWWMLARDGWBX-LSDHHAIUSA-N 1 0 322.424 2.740 20 10 DFCDRO COc1cccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c1O ZINC000237212587 426689928 /nfs/dbraw/zinc/68/99/28/426689928.db2.gz HAWWPUHFZBLWIS-INIZCTEOSA-N 1 0 300.402 2.793 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000237219388 426690344 /nfs/dbraw/zinc/69/03/44/426690344.db2.gz RSRSXEZSFAWTKV-IRXDYDNUSA-N 1 0 315.461 2.763 20 10 DFCDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(C)cc1O ZINC000281314294 426711053 /nfs/dbraw/zinc/71/10/53/426711053.db2.gz ZKKAIGUNXPYEAZ-CQSZACIVSA-N 1 0 311.447 2.709 20 10 DFCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1cc(F)ccc1O ZINC000290205309 426716224 /nfs/dbraw/zinc/71/62/24/426716224.db2.gz GXFPWOFVEHNEBG-NCAQKEMTSA-N 1 0 303.333 2.677 20 10 DFCDRO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000281453669 426719806 /nfs/dbraw/zinc/71/98/06/426719806.db2.gz DMAQYOZSSBHQAJ-WBVHZDCISA-N 1 0 306.450 2.725 20 10 DFCDRO C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000237563870 426695152 /nfs/dbraw/zinc/69/51/52/426695152.db2.gz QMWXUFNSDXESEE-KXBFYZLASA-N 1 0 323.440 2.591 20 10 DFCDRO COc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000281136933 426702626 /nfs/dbraw/zinc/70/26/26/426702626.db2.gz DKOOVDSRDLKOAP-CLLJXQQHSA-N 1 0 309.406 2.703 20 10 DFCDRO Cc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c(C)n1-c1ccc(F)cc1 ZINC000179096796 426750415 /nfs/dbraw/zinc/75/04/15/426750415.db2.gz YLVIEMJLNBXBKC-MRXNPFEDSA-N 1 0 315.392 2.667 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000290368241 426751850 /nfs/dbraw/zinc/75/18/50/426751850.db2.gz HGJYHJOMTNIXQX-QGZVFWFLSA-N 1 0 318.392 2.932 20 10 DFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000245565623 426752912 /nfs/dbraw/zinc/75/29/12/426752912.db2.gz RWCNWLAOPBQXFP-JFIYKMOQSA-N 1 0 318.461 2.774 20 10 DFCDRO COC[C@@H](O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000179645364 426810642 /nfs/dbraw/zinc/81/06/42/426810642.db2.gz OMVWYUSGWUTAGD-QAPCUYQASA-N 1 0 315.413 2.963 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)c1 ZINC000179670934 426811300 /nfs/dbraw/zinc/81/13/00/426811300.db2.gz WWTSMISAFOFKQC-QWHCGFSZSA-N 1 0 303.406 2.893 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000179671455 426812764 /nfs/dbraw/zinc/81/27/64/426812764.db2.gz HDAPRXMDACYOST-INIZCTEOSA-N 1 0 314.385 2.574 20 10 DFCDRO C[N@H+](CCCn1ccnc1)Cc1cc(Br)ccc1O ZINC000290654400 426813263 /nfs/dbraw/zinc/81/32/63/426813263.db2.gz ZGBHYWQIHVNFJP-UHFFFAOYSA-N 1 0 324.222 2.873 20 10 DFCDRO COC(=O)c1ccc(C[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000179755350 426817238 /nfs/dbraw/zinc/81/72/38/426817238.db2.gz FLYMBBJDBBOIBD-UHFFFAOYSA-N 1 0 315.369 2.819 20 10 DFCDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(N(C)C)cc3)[C@@H]2C1 ZINC000247289461 426923712 /nfs/dbraw/zinc/92/37/12/426923712.db2.gz ZAXUPRYQGZNJCV-KZNAEPCWSA-N 1 0 304.434 2.521 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000290879473 426862117 /nfs/dbraw/zinc/86/21/17/426862117.db2.gz KRXPAWVNRNDTIS-CYBMUJFWSA-N 1 0 307.781 2.698 20 10 DFCDRO OC[C@]1(C[NH2+]Cc2cc(F)ccc2O)C[C@@H]1c1ccccc1 ZINC000291460548 426886563 /nfs/dbraw/zinc/88/65/63/426886563.db2.gz DCGQIAXUVPHICM-SJLPKXTDSA-N 1 0 301.361 2.787 20 10 DFCDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000282416187 426906301 /nfs/dbraw/zinc/90/63/01/426906301.db2.gz BFOZHPQYCINCTG-MRXNPFEDSA-N 1 0 315.369 2.561 20 10 DFCDRO CCCOc1ccc(C[NH2+]CC2(COC)CCOCC2)c(O)c1 ZINC000291693680 426954260 /nfs/dbraw/zinc/95/42/60/426954260.db2.gz JHGJMUDWHLGMGS-UHFFFAOYSA-N 1 0 323.433 2.714 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(N(C)C)cc1 ZINC000283137531 426960640 /nfs/dbraw/zinc/96/06/40/426960640.db2.gz HALLEYJIJSTJHS-DLBZAZTESA-N 1 0 315.461 2.995 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000248582897 427016665 /nfs/dbraw/zinc/01/66/65/427016665.db2.gz FPLUQLZOZCARQO-YTQUADARSA-N 1 0 323.440 2.903 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1O ZINC000295851659 427017253 /nfs/dbraw/zinc/01/72/53/427017253.db2.gz DKLXRVFAWBWRBT-IAOVAPTHSA-N 1 0 319.376 2.781 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)CC[C@H]2CCC[NH2+]2)cc1F ZINC000291996500 427050477 /nfs/dbraw/zinc/05/04/77/427050477.db2.gz BTJVFEHMJODZPE-OAHLLOKOSA-N 1 0 321.440 2.820 20 10 DFCDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])cn1 ZINC000296040958 427054914 /nfs/dbraw/zinc/05/49/14/427054914.db2.gz UJHNDVIECNWVFE-RYUDHWBXSA-N 1 0 317.389 2.807 20 10 DFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC000292065974 427076767 /nfs/dbraw/zinc/07/67/67/427076767.db2.gz DCNOYOPVBOUOTL-QGZVFWFLSA-N 1 0 322.836 2.776 20 10 DFCDRO CCOC(=O)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296111156 427078099 /nfs/dbraw/zinc/07/80/99/427078099.db2.gz UVURHTYIJRIIAF-AWEZNQCLSA-N 1 0 304.390 2.590 20 10 DFCDRO CCOC(=O)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296111159 427078943 /nfs/dbraw/zinc/07/89/43/427078943.db2.gz UVURHTYIJRIIAF-CQSZACIVSA-N 1 0 304.390 2.590 20 10 DFCDRO CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296183011 427103200 /nfs/dbraw/zinc/10/32/00/427103200.db2.gz YFDOBOWYBKYTNO-MRXNPFEDSA-N 1 0 310.397 2.919 20 10 DFCDRO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(F)ccc1O ZINC000277097628 427134421 /nfs/dbraw/zinc/13/44/21/427134421.db2.gz LFTGYNWLIRBMBZ-GFCCVEGCSA-N 1 0 316.380 2.641 20 10 DFCDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]([NH+](C)C)CC2)c1O ZINC000277215984 427137928 /nfs/dbraw/zinc/13/79/28/427137928.db2.gz NPYZXQZUYVFHPI-HNNXBMFYSA-N 1 0 308.397 2.650 20 10 DFCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C(C)C ZINC000268922278 427138760 /nfs/dbraw/zinc/13/87/60/427138760.db2.gz KILZYEFGLKXONO-QAPCUYQASA-N 1 0 306.450 2.845 20 10 DFCDRO C[C@H]([NH2+]CCOCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000268873572 427138955 /nfs/dbraw/zinc/13/89/55/427138955.db2.gz GMVJICHXOZVGMX-HNNXBMFYSA-N 1 0 304.434 2.600 20 10 DFCDRO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000268980098 427143236 /nfs/dbraw/zinc/14/32/36/427143236.db2.gz OPOZUQIRQOZCSR-RHSMWYFYSA-N 1 0 307.507 2.841 20 10 DFCDRO Oc1cccc(Cl)c1CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000268970309 427143399 /nfs/dbraw/zinc/14/33/99/427143399.db2.gz MSUDOJCOYRNJLM-WBVHZDCISA-N 1 0 324.852 2.513 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCOC[C@@H]2C)c1O ZINC000277284743 427152182 /nfs/dbraw/zinc/15/21/82/427152182.db2.gz AFVUGQKFBKWRIU-GWCFXTLKSA-N 1 0 314.223 2.978 20 10 DFCDRO Cc1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)ccc1N(C)C ZINC000292829396 427201474 /nfs/dbraw/zinc/20/14/74/427201474.db2.gz OPWBRTPGTRHMIR-IRXDYDNUSA-N 1 0 306.475 2.767 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1O ZINC000292877729 427204209 /nfs/dbraw/zinc/20/42/09/427204209.db2.gz XQYDHSMOTQPXPA-OAHLLOKOSA-N 1 0 307.365 2.613 20 10 DFCDRO O=C(NCCC[NH2+][C@@H]1CCc2cccc(O)c21)c1cccs1 ZINC000296800066 427239269 /nfs/dbraw/zinc/23/92/69/427239269.db2.gz LLPJGWJQAQJFHW-CYBMUJFWSA-N 1 0 316.426 2.851 20 10 DFCDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000270325390 427319974 /nfs/dbraw/zinc/31/99/74/427319974.db2.gz ZJLXISULAVZOOZ-SFHVURJKSA-N 1 0 301.361 2.758 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000270703535 427363225 /nfs/dbraw/zinc/36/32/25/427363225.db2.gz JTNSWIGYKSOTKS-KRWDZBQOSA-N 1 0 315.461 2.539 20 10 DFCDRO Cn1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000270653550 427365275 /nfs/dbraw/zinc/36/52/75/427365275.db2.gz REMGZUCWVANBIM-UHFFFAOYSA-N 1 0 313.445 2.524 20 10 DFCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000278791105 427452530 /nfs/dbraw/zinc/45/25/30/427452530.db2.gz YRUJTAZFIJBNES-UONOGXRCSA-N 1 0 310.413 2.683 20 10 DFCDRO CC[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N(C)C)cc1 ZINC000293844318 427458755 /nfs/dbraw/zinc/45/87/55/427458755.db2.gz XYLXMZBOGSPETL-KRWDZBQOSA-N 1 0 301.438 2.555 20 10 DFCDRO C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(F)ccc1O ZINC000278814872 427464097 /nfs/dbraw/zinc/46/40/97/427464097.db2.gz ZUZKSFDYOZFXHZ-UONOGXRCSA-N 1 0 310.413 2.683 20 10 DFCDRO Cc1cc(Br)cc(C[NH+]2CC3(C2)CCOC3)c1O ZINC000293862120 427469643 /nfs/dbraw/zinc/46/96/43/427469643.db2.gz CBJYKULKPAYAPO-UHFFFAOYSA-N 1 0 312.207 2.685 20 10 DFCDRO Oc1ccccc1C[NH+]1CCN(CCc2cccs2)CC1 ZINC000271256754 427471822 /nfs/dbraw/zinc/47/18/22/427471822.db2.gz IRACPORFUSEZRM-UHFFFAOYSA-N 1 0 302.443 2.814 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@H](CCO)c2ccco2)c(O)c1 ZINC000184504087 427474897 /nfs/dbraw/zinc/47/48/97/427474897.db2.gz UYEPHIHLTKVXDA-OAHLLOKOSA-N 1 0 305.374 2.987 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)cc1 ZINC000278851905 427476195 /nfs/dbraw/zinc/47/61/95/427476195.db2.gz MDSGDFHBMLEBAT-UHFFFAOYSA-N 1 0 314.408 2.609 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CCS[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278166027 427425319 /nfs/dbraw/zinc/42/53/19/427425319.db2.gz FEXZGDJMBXNNAX-NXEZZACHSA-N 1 0 312.391 2.635 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278306545 427427846 /nfs/dbraw/zinc/42/78/46/427427846.db2.gz DUWSBRSBHXQRKD-QMTHXVAHSA-N 1 0 319.323 2.536 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000278363315 427430386 /nfs/dbraw/zinc/43/03/86/427430386.db2.gz AZSQOCWIDFMAIH-GOSISDBHSA-N 1 0 315.461 2.776 20 10 DFCDRO COC(=O)C[C@@](C)([NH2+]Cc1cccc(C)c1O)c1ccncc1 ZINC000191905049 427443286 /nfs/dbraw/zinc/44/32/86/427443286.db2.gz BDOCEQXBYHDVCW-GOSISDBHSA-N 1 0 314.385 2.664 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)c1 ZINC000278968568 427515257 /nfs/dbraw/zinc/51/52/57/427515257.db2.gz NGQSUMQKQWBVLU-SUNYJGFJSA-N 1 0 315.417 2.863 20 10 DFCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184698282 427519637 /nfs/dbraw/zinc/51/96/37/427519637.db2.gz UJQATDLDOCUXJW-GFCCVEGCSA-N 1 0 313.781 2.582 20 10 DFCDRO O=C1NCCCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000263683602 427538801 /nfs/dbraw/zinc/53/88/01/427538801.db2.gz NIEUIDZIXTXKPS-KRWDZBQOSA-N 1 0 310.397 2.818 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)c1ccccc1O ZINC000279062693 427544562 /nfs/dbraw/zinc/54/45/62/427544562.db2.gz ZESARGGOMAEUNJ-GDZNZVCISA-N 1 0 301.390 2.554 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC000184877628 427556566 /nfs/dbraw/zinc/55/65/66/427556566.db2.gz VPBLLHWTUVMPRQ-CYBMUJFWSA-N 1 0 300.406 2.869 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cn[nH]c1 ZINC000271537158 427574087 /nfs/dbraw/zinc/57/40/87/427574087.db2.gz QJPLXWNDCAEKFT-QWHCGFSZSA-N 1 0 318.396 2.797 20 10 DFCDRO Cc1cc(C(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000185004893 427578662 /nfs/dbraw/zinc/57/86/62/427578662.db2.gz HXIRLGINLGOUIG-LZQZEXGQSA-N 1 0 323.440 2.903 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271579512 427580032 /nfs/dbraw/zinc/58/00/32/427580032.db2.gz WRHJMNOEVMZPIO-YCPHGPKFSA-N 1 0 322.424 2.880 20 10 DFCDRO Cc1cnc(N2CC[NH+](Cc3cccc(C)c3O)CC2)s1 ZINC000271797201 427583497 /nfs/dbraw/zinc/58/34/97/427583497.db2.gz KEUCSDIUUPUIFT-UHFFFAOYSA-N 1 0 303.431 2.788 20 10 DFCDRO Cc1cccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1O ZINC000271734302 427584412 /nfs/dbraw/zinc/58/44/12/427584412.db2.gz OCWRYGLOPGDIME-GOSISDBHSA-N 1 0 315.413 2.710 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000271853983 427591237 /nfs/dbraw/zinc/59/12/37/427591237.db2.gz RYDODBFDEWFDBK-HIFRSBDPSA-N 1 0 301.386 2.655 20 10 DFCDRO COc1cc(O)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000271847923 427592453 /nfs/dbraw/zinc/59/24/53/427592453.db2.gz VMJTYPBMRFGCTJ-UHFFFAOYSA-N 1 0 322.449 2.714 20 10 DFCDRO C[C@@H]([NH2+]CCCCCO)c1cc(Br)ccc1O ZINC000192926121 427635425 /nfs/dbraw/zinc/63/54/25/427635425.db2.gz AVCFWNQGTZVPBX-SNVBAGLBSA-N 1 0 302.212 2.968 20 10 DFCDRO C[C@@H]([NH2+]CCCCCO)c1ccc(Br)cc1O ZINC000192923791 427635837 /nfs/dbraw/zinc/63/58/37/427635837.db2.gz SROFLMXHHBJACQ-SNVBAGLBSA-N 1 0 302.212 2.968 20 10 DFCDRO Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000294695776 427647547 /nfs/dbraw/zinc/64/75/47/427647547.db2.gz AOLHXHFXZIBWHW-QGZVFWFLSA-N 1 0 315.392 2.516 20 10 DFCDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185419942 427648827 /nfs/dbraw/zinc/64/88/27/427648827.db2.gz DDQHJVCQGPJVKQ-GTNSWQLSSA-N 1 0 305.349 2.924 20 10 DFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)cc1C ZINC000294826742 427660661 /nfs/dbraw/zinc/66/06/61/427660661.db2.gz PNUZOMSYLOPHQA-HNNXBMFYSA-N 1 0 306.406 2.672 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCO2)c1O ZINC000295097417 427690494 /nfs/dbraw/zinc/69/04/94/427690494.db2.gz SGDZQRSGOSOGKO-GFCCVEGCSA-N 1 0 300.196 2.732 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)ccc1OC ZINC000193497785 427694534 /nfs/dbraw/zinc/69/45/34/427694534.db2.gz IFKFCALCOXJPAM-GOEBONIOSA-N 1 0 321.417 2.663 20 10 DFCDRO CC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185800831 427708154 /nfs/dbraw/zinc/70/81/54/427708154.db2.gz RNIHNSONVDLNEH-ONGXEEELSA-N 1 0 302.212 2.966 20 10 DFCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000279594306 427709946 /nfs/dbraw/zinc/70/99/46/427709946.db2.gz HVINABCPSHTNPH-CYBMUJFWSA-N 1 0 302.340 2.992 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000279717113 427715522 /nfs/dbraw/zinc/71/55/22/427715522.db2.gz UDFKIQSHPRNRJK-MLGOLLRUSA-N 1 0 311.809 2.734 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000186088902 427747092 /nfs/dbraw/zinc/74/70/92/427747092.db2.gz XTIXPFIKKPAPGZ-IUODEOHRSA-N 1 0 314.429 2.685 20 10 DFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C2CC2)O1 ZINC000369527873 427987504 /nfs/dbraw/zinc/98/75/04/427987504.db2.gz POQBOBCTIZVDLK-BEFAXECRSA-N 1 0 316.445 2.523 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(CN3CCCC3=O)CC2)cc1C ZINC000369762130 428054599 /nfs/dbraw/zinc/05/45/99/428054599.db2.gz GSQFJBAVIRWRPV-UHFFFAOYSA-N 1 0 316.445 2.843 20 10 DFCDRO CC[C@@H](c1ccccc1O)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000369890984 428084108 /nfs/dbraw/zinc/08/41/08/428084108.db2.gz ZMGQUYWLADINFZ-INIZCTEOSA-N 1 0 300.406 2.847 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000370223762 428161827 /nfs/dbraw/zinc/16/18/27/428161827.db2.gz DZSHOUUPSJTXQY-FUHWJXTLSA-N 1 0 315.417 2.824 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2N2CCOCC2)c(O)c1 ZINC000371870278 428406413 /nfs/dbraw/zinc/40/64/13/428406413.db2.gz OXWJLLLDYPOIDH-XYJFISCASA-N 1 0 318.461 2.852 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c(O)c1 ZINC000371835318 428407176 /nfs/dbraw/zinc/40/71/76/428407176.db2.gz RZDXACKOPBYYTF-SZMVWBNQSA-N 1 0 318.461 2.995 20 10 DFCDRO Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000371381035 428384811 /nfs/dbraw/zinc/38/48/11/428384811.db2.gz UJSPAVUYMVSGIY-SFHVURJKSA-N 1 0 313.449 2.798 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000371384314 428386365 /nfs/dbraw/zinc/38/63/65/428386365.db2.gz RYHKEVAFSLBWTN-UHFFFAOYSA-N 1 0 301.390 2.894 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1F ZINC000372434250 428447259 /nfs/dbraw/zinc/44/72/59/428447259.db2.gz YPECDTPKQMRQKC-UHFFFAOYSA-N 1 0 302.397 2.994 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c1 ZINC000372797131 428502563 /nfs/dbraw/zinc/50/25/63/428502563.db2.gz COCXRQFFKIVEGL-UHFFFAOYSA-N 1 0 314.385 2.642 20 10 DFCDRO CC(=O)N1CC[N@H+](Cc2ccccc2O)CC12CCCCC2 ZINC000361071007 428531558 /nfs/dbraw/zinc/53/15/58/428531558.db2.gz ZOZIQQCIAMMLEC-UHFFFAOYSA-N 1 0 302.418 2.759 20 10 DFCDRO Cc1cc(O)c(CN2CCC[N@@H+](C3CCOCC3)CC2)cc1C ZINC000361178787 428544094 /nfs/dbraw/zinc/54/40/94/428544094.db2.gz GZINPGPKWHRIDM-UHFFFAOYSA-N 1 0 318.461 2.696 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3nccn3C2)cc1F ZINC000361489915 428571590 /nfs/dbraw/zinc/57/15/90/428571590.db2.gz MHALXVWCCIEVIN-HNNXBMFYSA-N 1 0 316.424 2.973 20 10 DFCDRO [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000362036118 428612712 /nfs/dbraw/zinc/61/27/12/428612712.db2.gz FKGLJJZWJROCQN-FMKPAKJESA-N 1 0 306.837 2.962 20 10 DFCDRO COc1cccc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1O ZINC000362088425 428616620 /nfs/dbraw/zinc/61/66/20/428616620.db2.gz WCUFMHCAYKJOMA-ZDUSSCGKSA-N 1 0 301.390 2.514 20 10 DFCDRO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000284734597 274063336 /nfs/dbraw/zinc/06/33/36/274063336.db2.gz UCIPOCYKFCSLKU-IPMKNSEASA-N 1 0 318.461 2.769 20 10 DFCDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000362234554 428670613 /nfs/dbraw/zinc/67/06/13/428670613.db2.gz IBOPLXYSAHODBF-IAGOWNOFSA-N 1 0 302.418 2.676 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC000362622344 428794104 /nfs/dbraw/zinc/79/41/04/428794104.db2.gz MUCUZLHOVFUTJN-INIZCTEOSA-N 1 0 302.418 2.678 20 10 DFCDRO CCOCc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000363441570 428916297 /nfs/dbraw/zinc/91/62/97/428916297.db2.gz HYGZBBQSCJPXNM-ROUUACIJSA-N 1 0 318.461 2.948 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c1 ZINC000376520426 429128566 /nfs/dbraw/zinc/12/85/66/429128566.db2.gz KMXSTEVSEQIWNQ-XJKSGUPXSA-N 1 0 315.417 2.618 20 10 DFCDRO COc1cccc(C[NH+]2CCC(c3nccc(C)n3)CC2)c1O ZINC000363874512 429131133 /nfs/dbraw/zinc/13/11/33/429131133.db2.gz IGDYCQFUUIGLKO-UHFFFAOYSA-N 1 0 313.401 2.879 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1O ZINC000364663510 429245508 /nfs/dbraw/zinc/24/55/08/429245508.db2.gz VYDOKPSFAMLUTC-CQSZACIVSA-N 1 0 321.392 2.982 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000364675118 429247473 /nfs/dbraw/zinc/24/74/73/429247473.db2.gz SJCWEMQUPDUJME-LPHOPBHVSA-N 1 0 311.429 2.878 20 10 DFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCCNC2=O)cc1 ZINC000365540800 429338064 /nfs/dbraw/zinc/33/80/64/429338064.db2.gz SFYOAMJVBXYWBO-QGZVFWFLSA-N 1 0 303.450 2.633 20 10 DFCDRO COc1ccc(N2CCC([N@H+](C)Cc3cnn(C)c3)CC2)cc1 ZINC000365719055 429362417 /nfs/dbraw/zinc/36/24/17/429362417.db2.gz QQKNFQUAQTYGIP-UHFFFAOYSA-N 1 0 314.433 2.530 20 10 DFCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](C)O2 ZINC000365751451 429367455 /nfs/dbraw/zinc/36/74/55/429367455.db2.gz CETDPMYZDWRYQJ-XHBSWPGZSA-N 1 0 311.809 2.814 20 10 DFCDRO Cc1cc(O)c(C[NH+]2CCC(Oc3cnccn3)CC2)cc1C ZINC000365833669 429381637 /nfs/dbraw/zinc/38/16/37/429381637.db2.gz RABBKBMYVSSSMQ-UHFFFAOYSA-N 1 0 313.401 2.842 20 10 DFCDRO CCN(CC)c1ccc(CN2CCO[C@@H]3CCOC[C@@H]32)cc1 ZINC000366488457 429461606 /nfs/dbraw/zinc/46/16/06/429461606.db2.gz JAPNIFMIXVADDG-ZWKOTPCHSA-N 1 0 304.434 2.523 20 10 DFCDRO Cc1nc([C@H]2CCCCN2Cc2cc3c(cc2O)OCO3)no1 ZINC000367474336 429656317 /nfs/dbraw/zinc/65/63/17/429656317.db2.gz FHAKXGQMMLAEHU-GFCCVEGCSA-N 1 0 317.345 2.540 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368041398 429773872 /nfs/dbraw/zinc/77/38/72/429773872.db2.gz KWJQDDFFUANORY-CJNGLKHVSA-N 1 0 312.417 3.095 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccncn3)C2)c1 ZINC000368330593 429831846 /nfs/dbraw/zinc/83/18/46/429831846.db2.gz GWKKWAZLHJAZET-LSDHHAIUSA-N 1 0 312.417 2.810 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2cnn(C)c2)C1 ZINC000368725633 429890453 /nfs/dbraw/zinc/89/04/53/429890453.db2.gz WXZSZJJLLKVLDL-NVXWUHKLSA-N 1 0 301.390 2.650 20 10 DFCDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1ccc(C)cc1O ZINC000280011174 276638258 /nfs/dbraw/zinc/63/82/58/276638258.db2.gz GSHPFPAUYKPYFZ-UXLLHSPISA-N 1 0 306.450 2.851 20 10 DFCDRO CC1(C)CN(C(=O)c2cn[nH]c2[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000643508176 430611217 /nfs/dbraw/zinc/61/12/17/430611217.db2.gz QOYMGXZFRHCBET-CYBMUJFWSA-N 1 0 324.428 2.815 20 10 DFCDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185028822 278265339 /nfs/dbraw/zinc/26/53/39/278265339.db2.gz AJNNHFRQZSZXMK-GJZGRUSLSA-N 1 0 318.461 2.642 20 10 DFCDRO CN1CCCN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000662734635 431178586 /nfs/dbraw/zinc/17/85/86/431178586.db2.gz RLRXCAQNRZLTEN-UHFFFAOYSA-N 1 0 321.424 2.819 20 10 DFCDRO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cc(F)ccc2O)CCN1 ZINC000179944858 280274187 /nfs/dbraw/zinc/27/41/87/280274187.db2.gz PWOHGZLAKANZIZ-MRXNPFEDSA-N 1 0 314.360 2.595 20 10 DFCDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000363519992 293248881 /nfs/dbraw/zinc/24/88/81/293248881.db2.gz NKVPHEQXYMLNRD-QGZVFWFLSA-N 1 0 314.433 2.882 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000130429541 332024464 /nfs/dbraw/zinc/02/44/64/332024464.db2.gz JKDGGZNVGGDXDQ-HIFRSBDPSA-N 1 0 301.386 2.655 20 10 DFCDRO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000132859521 332135254 /nfs/dbraw/zinc/13/52/54/332135254.db2.gz DHKXUIZUUZGJQX-ZDUSSCGKSA-N 1 0 307.438 2.928 20 10 DFCDRO [O-]c1cc(F)c(Cl)cc1C[N@H+](CCCO)Cc1ccccn1 ZINC000293948668 335116104 /nfs/dbraw/zinc/11/61/04/335116104.db2.gz OWGJTLUWBGJIBT-UHFFFAOYSA-N 1 0 324.783 2.964 20 10 DFCDRO Oc1ccc2ccccc2c1C[NH+]1CCN(c2cccnn2)CC1 ZINC000170638931 333037749 /nfs/dbraw/zinc/03/77/49/333037749.db2.gz IYBUOSLJAQVAGN-UHFFFAOYSA-N 1 0 320.396 2.658 20 10 DFCDRO C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H](C)[NH3+] ZINC000182847526 333048447 /nfs/dbraw/zinc/04/84/47/333048447.db2.gz LJXSOHVOAQKHTG-CABCVRRESA-N 1 0 303.450 2.619 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000113343410 333119569 /nfs/dbraw/zinc/11/95/69/333119569.db2.gz OEAWUNUATSNRQP-AWEZNQCLSA-N 1 0 306.406 2.800 20 10 DFCDRO OC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccc(F)cc1 ZINC000295790240 335137735 /nfs/dbraw/zinc/13/77/35/335137735.db2.gz BNJJCJSWKIZZQB-YOEHRIQHSA-N 1 0 315.388 2.959 20 10 DFCDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000296257241 335142744 /nfs/dbraw/zinc/14/27/44/335142744.db2.gz DFVGDUZQNAVBSC-LRDDRELGSA-N 1 0 324.465 2.628 20 10 DFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H]1O ZINC000296369718 335144070 /nfs/dbraw/zinc/14/40/70/335144070.db2.gz SOAQTZBSQJVJTK-APWZRJJASA-N 1 0 318.461 2.505 20 10 DFCDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000297181414 335151524 /nfs/dbraw/zinc/15/15/24/335151524.db2.gz DYASXMYXTHYOIP-LSDHHAIUSA-N 1 0 324.440 2.722 20 10 DFCDRO C[C@@H]([NH2+]CCN1CCSCC1)c1cc(Cl)ccc1O ZINC000273466067 334047592 /nfs/dbraw/zinc/04/75/92/334047592.db2.gz DSUXMUYFUPFTLH-LLVKDONJSA-N 1 0 300.855 2.745 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc2ccccc2c1O ZINC000282405837 334134447 /nfs/dbraw/zinc/13/44/47/334134447.db2.gz CACQGCZAKHJXLC-NEPJUHHUSA-N 1 0 304.365 2.670 20 10 DFCDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Cl)cc(C)c3O)[C@H]2C1 ZINC000293672126 334200659 /nfs/dbraw/zinc/20/06/59/334200659.db2.gz OZKYXRXPGPFRBK-JKSUJKDBSA-N 1 0 324.852 2.649 20 10 DFCDRO CCC[C@@H](C(=O)NCc1c(C)c2ccccc2n1C)[NH+](C)C ZINC000352126968 336195776 /nfs/dbraw/zinc/19/57/76/336195776.db2.gz ZODNFSJMICFHJC-INIZCTEOSA-N 1 0 301.434 2.833 20 10 DFCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000352125772 336195792 /nfs/dbraw/zinc/19/57/92/336195792.db2.gz LPYDYJWBAZZYNU-QGZVFWFLSA-N 1 0 311.429 2.730 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c(O)c1 ZINC000192709622 336259097 /nfs/dbraw/zinc/25/90/97/336259097.db2.gz LBBVHHVUFCYCCD-AWEZNQCLSA-N 1 0 312.417 2.810 20 10 DFCDRO c1ccc(C2CC([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000367308578 336623730 /nfs/dbraw/zinc/62/37/30/336623730.db2.gz PYDJUIAICUPIPM-UHFFFAOYSA-N 1 0 323.440 2.954 20 10 DFCDRO CCc1nnc2n1C[C@H]([NH2+]Cc1cc(Cl)cc(C)c1O)CC2 ZINC000362034233 336782809 /nfs/dbraw/zinc/78/28/09/336782809.db2.gz AMAMBEQETKFPPH-CYBMUJFWSA-N 1 0 320.824 2.613 20 10 DFCDRO Cc1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c(C)n1-c1ccccc1 ZINC000368212019 336840312 /nfs/dbraw/zinc/84/03/12/336840312.db2.gz HCCBEHIHQGPOTG-GJZGRUSLSA-N 1 0 315.392 2.524 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c(O)c1C ZINC000368329756 336842526 /nfs/dbraw/zinc/84/25/26/336842526.db2.gz DXHXIKFKIVRACS-ZBFHGGJFSA-N 1 0 304.434 2.523 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc(Cl)ccc1O ZINC000368331490 336842534 /nfs/dbraw/zinc/84/25/34/336842534.db2.gz JYISWNFWSIHGQV-BQSGVUBFSA-N 1 0 308.809 2.706 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000371835162 336914228 /nfs/dbraw/zinc/91/42/28/336914228.db2.gz QUECJDBRESVNRM-SZMVWBNQSA-N 1 0 318.461 2.995 20 10 DFCDRO O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccc(N2CCCC2)cc1 ZINC000373513998 336963412 /nfs/dbraw/zinc/96/34/12/336963412.db2.gz DXPSSAGVMHYXNY-INIZCTEOSA-N 1 0 315.461 2.683 20 10 DFCDRO O=C1C[C@H]([NH2+]Cc2ccccc2O)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000374156537 336982569 /nfs/dbraw/zinc/98/25/69/336982569.db2.gz HGBGRBLTMQMZOT-BZSNNMDCSA-N 1 0 322.408 2.639 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)c1cc(Cl)ccc1O ZINC000374503480 336990892 /nfs/dbraw/zinc/99/08/92/336990892.db2.gz IWAAEDAIZMEPKU-ZLKJLUDKSA-N 1 0 308.809 2.850 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCCO[C@H]3CCC[C@H]32)cc1OC ZINC000375023423 337001822 /nfs/dbraw/zinc/00/18/22/337001822.db2.gz UPFQPHLIIPEGNJ-HIFRSBDPSA-N 1 0 307.390 2.553 20 10 DFCDRO COCCn1ncc2c1[C@H]([NH2+]Cc1cc(F)ccc1O)CCC2 ZINC000375205678 337005753 /nfs/dbraw/zinc/00/57/53/337005753.db2.gz DYPYWGXICUUKTK-OAHLLOKOSA-N 1 0 319.380 2.541 20 10 DFCDRO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1cccc(OC)c1O ZINC000375847200 337021175 /nfs/dbraw/zinc/02/11/75/337021175.db2.gz LHRLDGJMSREXLQ-HZPDHXFCSA-N 1 0 304.434 2.850 20 10 DFCDRO CC[C@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1cccc(OC)c1O ZINC000375847199 337021198 /nfs/dbraw/zinc/02/11/98/337021198.db2.gz LHRLDGJMSREXLQ-HOTGVXAUSA-N 1 0 304.434 2.850 20 10 DFCDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000375862057 337021664 /nfs/dbraw/zinc/02/16/64/337021664.db2.gz SCWHQSQLLUPFQG-QZTJIDSGSA-N 1 0 316.445 2.984 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cc(F)ccc1O ZINC000376029136 337025629 /nfs/dbraw/zinc/02/56/29/337025629.db2.gz NBQKMUSCMZKWPC-TZMCWYRMSA-N 1 0 318.396 2.584 20 10 DFCDRO Cn1cnc2c1CCN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000376203499 337029417 /nfs/dbraw/zinc/02/94/17/337029417.db2.gz ONSFQOBTYKBFEV-UHFFFAOYSA-N 1 0 312.200 2.991 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccncn3)C2)c(O)c1 ZINC000376310081 337031138 /nfs/dbraw/zinc/03/11/38/337031138.db2.gz XPCWPOLFCFIYJQ-CABCVRRESA-N 1 0 312.417 2.810 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000376770527 337040738 /nfs/dbraw/zinc/04/07/38/337040738.db2.gz BKLOZCMHJNGLKE-HKUYNNGSSA-N 1 0 315.461 2.680 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000377616793 337056458 /nfs/dbraw/zinc/05/64/58/337056458.db2.gz QVBBOFGXSZBTLX-JFIYKMOQSA-N 1 0 318.461 2.764 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000377659823 337057790 /nfs/dbraw/zinc/05/77/90/337057790.db2.gz QQUQRDHFYXLCFA-SJLPKXTDSA-N 1 0 310.397 2.928 20 10 DFCDRO CC[C@@H]1C[N@@H+]([C@H](C)c2cc(OC)ccc2O)C[C@]2(CCOC2)O1 ZINC000377699872 337059031 /nfs/dbraw/zinc/05/90/31/337059031.db2.gz QREQMFZYWZTCDJ-LBTNJELSSA-N 1 0 321.417 2.732 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000377890305 337063484 /nfs/dbraw/zinc/06/34/84/337063484.db2.gz UHOAJCVYECQBEK-CHWSQXEVSA-N 1 0 301.390 2.685 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000378099600 337066449 /nfs/dbraw/zinc/06/64/49/337066449.db2.gz DYBFPHAGENJAGE-GFCCVEGCSA-N 1 0 322.206 2.525 20 10 DFCDRO CCc1nc([C@@H]2CCC[N@H+](Cc3cccc(OC)c3O)C2)no1 ZINC000378347066 337070671 /nfs/dbraw/zinc/07/06/71/337070671.db2.gz BSRWYBXQJLDOSA-CYBMUJFWSA-N 1 0 317.389 2.726 20 10 DFCDRO Cc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000378442459 337072701 /nfs/dbraw/zinc/07/27/01/337072701.db2.gz NVOZVXNFAWRUHH-IAGOWNOFSA-N 1 0 315.417 2.522 20 10 DFCDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000378490562 337074229 /nfs/dbraw/zinc/07/42/29/337074229.db2.gz DUGMVCQJTJUUAB-HOTGVXAUSA-N 1 0 306.381 2.507 20 10 DFCDRO CCOC(=O)C1(C)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000378543589 337075559 /nfs/dbraw/zinc/07/55/59/337075559.db2.gz QLQCXJINNQHDMI-UHFFFAOYSA-N 1 0 304.434 2.918 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1OC ZINC000360043003 337084369 /nfs/dbraw/zinc/08/43/69/337084369.db2.gz ZUKVQAABLMNVCF-JLZZUVOBSA-N 1 0 321.417 2.703 20 10 DFCDRO C[C@H]1CN(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)CCO1 ZINC000179785247 337171788 /nfs/dbraw/zinc/17/17/88/337171788.db2.gz SAPSIDLVHFCHRF-ZDUSSCGKSA-N 1 0 324.852 2.731 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccccc1O ZINC000183552771 337192177 /nfs/dbraw/zinc/19/21/77/337192177.db2.gz CXHNAELIQSOMCL-CHWSQXEVSA-N 1 0 301.365 2.856 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+]CC1CCOCC1 ZINC000227442762 337205175 /nfs/dbraw/zinc/20/51/75/337205175.db2.gz DQXCTNPDKILIFI-UHFFFAOYSA-N 1 0 300.196 2.671 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552321 337249020 /nfs/dbraw/zinc/24/90/20/337249020.db2.gz DPDJSEJZVIGSAY-HUUCEWRRSA-N 1 0 314.433 2.754 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c1 ZINC000185585580 337249114 /nfs/dbraw/zinc/24/91/14/337249114.db2.gz RANAGQZVLKQRHW-VXGBXAGGSA-N 1 0 316.405 2.740 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc(F)ccc1O ZINC000185687908 337250095 /nfs/dbraw/zinc/25/00/95/337250095.db2.gz BUURUPJAOQDZKV-WCQYABFASA-N 1 0 319.355 2.995 20 10 DFCDRO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)CC2 ZINC000185995037 337252506 /nfs/dbraw/zinc/25/25/06/337252506.db2.gz JTMCYMXRGZEFJR-ZYHUDNBSSA-N 1 0 320.824 2.865 20 10 DFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(Cn3cncn3)CC2)c1O ZINC000189973949 337284161 /nfs/dbraw/zinc/28/41/61/337284161.db2.gz WUVBQZYHNVPVMP-UHFFFAOYSA-N 1 0 320.824 2.858 20 10 DFCDRO COc1ccc(O)c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000190287412 337286485 /nfs/dbraw/zinc/28/64/85/337286485.db2.gz LWUNDZDCSQFWBU-HOCLYGCPSA-N 1 0 319.426 2.670 20 10 DFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190338823 337286829 /nfs/dbraw/zinc/28/68/29/337286829.db2.gz ZDEHUJCXSAKBMO-YRGRVCCFSA-N 1 0 312.207 2.812 20 10 DFCDRO CCOc1ccc(O)c(C[NH2+][C@]2(CO)CCc3ccccc32)c1 ZINC000305186374 337387134 /nfs/dbraw/zinc/38/71/34/337387134.db2.gz UEOAJWISALHFNU-IBGZPJMESA-N 1 0 313.397 2.715 20 10 DFCDRO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2O)[C@@H]1c1ccc(F)cc1 ZINC000120005420 337395357 /nfs/dbraw/zinc/39/53/57/337395357.db2.gz UISWYQSYUHMQHF-YJBOKZPZSA-N 1 0 314.360 2.593 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000528015739 337783811 /nfs/dbraw/zinc/78/38/11/337783811.db2.gz MORRTICRVWHSCV-AWEZNQCLSA-N 1 0 304.434 3.000 20 10 DFCDRO CCC(CC)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000230934659 340621421 /nfs/dbraw/zinc/62/14/21/340621421.db2.gz YSPXXUUKFGPXAS-ZDUSSCGKSA-N 1 0 301.814 2.941 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237219355 340669025 /nfs/dbraw/zinc/66/90/25/340669025.db2.gz RSRSXEZSFAWTKV-DLBZAZTESA-N 1 0 315.461 2.763 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1 ZINC000529636477 340765851 /nfs/dbraw/zinc/76/58/51/340765851.db2.gz CSCGLRLZHFXFEM-GOSISDBHSA-N 1 0 315.369 2.721 20 10 DFCDRO O=C1C[C@@H]([NH2+]Cc2c(O)ccc3ccccc32)[C@H]2CCCCN12 ZINC000369225051 501078842 /nfs/dbraw/zinc/07/88/42/501078842.db2.gz NFOYAUFCHNSJTE-IAGOWNOFSA-N 1 0 310.397 2.788 20 10 DFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179931721 519873377 /nfs/dbraw/zinc/87/33/77/519873377.db2.gz JLBAGCTWPOPBKB-AWEZNQCLSA-N 1 0 320.433 2.529 20 10 DFCDRO CCCOc1ccc(C[NH+]2CCC(C(=O)OCC)CC2)c(O)c1 ZINC000158100784 520348895 /nfs/dbraw/zinc/34/88/95/520348895.db2.gz SWRYCSSKXADKLJ-UHFFFAOYSA-N 1 0 321.417 2.956 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000236913091 520903662 /nfs/dbraw/zinc/90/36/62/520903662.db2.gz PERKWRNDSZSHPT-LSDHHAIUSA-N 1 0 321.440 2.806 20 10 DFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000131945307 521144383 /nfs/dbraw/zinc/14/43/83/521144383.db2.gz RPWMHXHWAZYAQE-MRXNPFEDSA-N 1 0 301.390 2.862 20 10 DFCDRO CCOc1ccc(O)c(CNC2CC([NH+]3CCCCC3)C2)c1 ZINC000366263011 521153101 /nfs/dbraw/zinc/15/31/01/521153101.db2.gz AYSVSIDVRZELFG-UHFFFAOYSA-N 1 0 304.434 2.897 20 10 DFCDRO CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccc(N(C)C)cc2)C1 ZINC000126542721 521153053 /nfs/dbraw/zinc/15/30/53/521153053.db2.gz GHFPLFBFBVQABW-DOTOQJQBSA-N 1 0 303.450 2.804 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)c1O ZINC000236938660 521364646 /nfs/dbraw/zinc/36/46/46/521364646.db2.gz LTBOGOJSLOSDBZ-MRXNPFEDSA-N 1 0 301.386 2.923 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)c2cccs2)c1O ZINC000265787092 521365786 /nfs/dbraw/zinc/36/57/86/521365786.db2.gz PUEJGRUIIZBIRR-MRXNPFEDSA-N 1 0 307.415 2.850 20 10 DFCDRO CN(C)c1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000363842196 522176103 /nfs/dbraw/zinc/17/61/03/522176103.db2.gz BRSRTUWSJSGICI-KRWDZBQOSA-N 1 0 318.461 2.770 20 10 DFCDRO CN(C)c1ccc(CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1F ZINC000237082804 522190558 /nfs/dbraw/zinc/19/05/58/522190558.db2.gz QHSKVMWVUUXQMJ-MRXNPFEDSA-N 1 0 315.392 2.598 20 10 DFCDRO CN(C)c1ccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000182095853 522212236 /nfs/dbraw/zinc/21/22/36/522212236.db2.gz NCVVTQHPIBGOTO-AVRDEDQJSA-N 1 0 316.470 2.962 20 10 DFCDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166852813 522510139 /nfs/dbraw/zinc/51/01/39/522510139.db2.gz WRABRQSOLLYQQE-GJZGRUSLSA-N 1 0 324.440 2.722 20 10 DFCDRO COC[C@@](C)(CCO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000267320485 522525378 /nfs/dbraw/zinc/52/53/78/522525378.db2.gz FIVXKINJPRKIFG-GOSISDBHSA-N 1 0 306.450 2.554 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1ccccc1O)CC2 ZINC000156506484 522527076 /nfs/dbraw/zinc/52/70/76/522527076.db2.gz OBVQFVJMIDMLCL-GXTWGEPZSA-N 1 0 300.406 2.602 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]Cc2c(C)nn(C)c2C)c1O ZINC000228673019 522540035 /nfs/dbraw/zinc/54/00/35/522540035.db2.gz NURAGEKSPOCBMJ-UHFFFAOYSA-N 1 0 309.797 2.694 20 10 DFCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(C)cc1O ZINC000365580064 522928064 /nfs/dbraw/zinc/92/80/64/522928064.db2.gz CSMBOYRCXWFFOY-GDBMZVCRSA-N 1 0 314.433 2.754 20 10 DFCDRO COCCN(C)c1ccc(C[N@H+](C)Cc2ccccc2O)cn1 ZINC000191253524 523633769 /nfs/dbraw/zinc/63/37/69/523633769.db2.gz HCHFGJWYTQIXGQ-UHFFFAOYSA-N 1 0 315.417 2.502 20 10 DFCDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cc1ccc(N)cc1 ZINC000237668797 524100460 /nfs/dbraw/zinc/10/04/60/524100460.db2.gz CXHKYESQPHYVPY-OAHLLOKOSA-N 1 0 303.450 2.582 20 10 DFCDRO C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)O1 ZINC000188569114 524349127 /nfs/dbraw/zinc/34/91/27/524349127.db2.gz XLMZZUJTCMJBAD-YJBOKZPZSA-N 1 0 304.434 2.523 20 10 DFCDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1O ZINC000368460683 524390205 /nfs/dbraw/zinc/39/02/05/524390205.db2.gz BKNQHCOCUCHRLA-MRXNPFEDSA-N 1 0 302.418 2.678 20 10 DFCDRO C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1[NH+](C)C ZINC000131471194 524612767 /nfs/dbraw/zinc/61/27/67/524612767.db2.gz VVDGYYWAAPXXBT-GWCFXTLKSA-N 1 0 313.239 2.537 20 10 DFCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000180218270 524735423 /nfs/dbraw/zinc/73/54/23/524735423.db2.gz OAVWFQIURGWYKZ-LBPRGKRZSA-N 1 0 324.421 2.746 20 10 DFCDRO COc1ccc(O)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000179907648 524737323 /nfs/dbraw/zinc/73/73/23/524737323.db2.gz NHYPZBKBEGCIKF-KRWDZBQOSA-N 1 0 321.417 2.561 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000180140525 524738124 /nfs/dbraw/zinc/73/81/24/524738124.db2.gz AWORSFQQHIODRQ-OAHLLOKOSA-N 1 0 301.390 2.743 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1O ZINC000180014931 524866863 /nfs/dbraw/zinc/86/68/63/524866863.db2.gz MCKARXGRVIDXMI-LBPRGKRZSA-N 1 0 311.809 2.939 20 10 DFCDRO Cc1cc(Cl)cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1O ZINC000180579675 524867261 /nfs/dbraw/zinc/86/72/61/524867261.db2.gz JOINILTYZPOVGN-AWEZNQCLSA-N 1 0 324.852 2.508 20 10 DFCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)C(=O)NCc2ccco2)c1O ZINC000181200812 524874467 /nfs/dbraw/zinc/87/44/67/524874467.db2.gz VFQXFKSSCFBFAF-LLVKDONJSA-N 1 0 322.792 2.742 20 10 DFCDRO C[C@H]([NH2+]CCCOCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000180241950 525342394 /nfs/dbraw/zinc/34/23/94/525342394.db2.gz RAHOTBPRKWSGGT-HNNXBMFYSA-N 1 0 324.440 2.866 20 10 DFCDRO Cc1ccc(O)c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1 ZINC000265154767 525349077 /nfs/dbraw/zinc/34/90/77/525349077.db2.gz PMQBXTJCYPETBE-KRWDZBQOSA-N 1 0 307.340 2.976 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000179891453 525565858 /nfs/dbraw/zinc/56/58/58/525565858.db2.gz GADRYMIITSQGKD-SWLSCSKDSA-N 1 0 314.360 2.987 20 10 DFCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCOC2)c1O ZINC000124590187 526158865 /nfs/dbraw/zinc/15/88/65/526158865.db2.gz VEPOEIRNDWBDGV-LBPRGKRZSA-N 1 0 300.196 2.684 20 10 DFCDRO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)n1-c1ccccc1 ZINC000248594926 526262225 /nfs/dbraw/zinc/26/22/25/526262225.db2.gz HXIRLGINLGOUIG-ZYSHUDEJSA-N 1 0 323.440 2.903 20 10 DFCDRO Oc1ccc(F)cc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000179984574 526348154 /nfs/dbraw/zinc/34/81/54/526348154.db2.gz SEFPKWOWWOEDKK-UHFFFAOYSA-N 1 0 307.394 2.700 20 10 DFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000131231895 526356569 /nfs/dbraw/zinc/35/65/69/526356569.db2.gz CQSUXRUXQAFPDF-UHFFFAOYSA-N 1 0 313.397 2.927 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000264945694 526363601 /nfs/dbraw/zinc/36/36/01/526363601.db2.gz IOSKJEMKRJNXJT-UHFFFAOYSA-N 1 0 324.852 2.780 20 10 DFCDRO Oc1cccc(Cl)c1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000132115922 526364941 /nfs/dbraw/zinc/36/49/41/526364941.db2.gz NTUZZNVZDPHJCE-QGZVFWFLSA-N 1 0 303.789 2.969 20 10 DFCDRO Oc1ccccc1C[N@H+](CCC1OCCCO1)C[C@H]1CCCO1 ZINC000267931568 526372012 /nfs/dbraw/zinc/37/20/12/526372012.db2.gz LSRBWSCZCSEGDR-MRXNPFEDSA-N 1 0 321.417 2.526 20 10 DFCDRO O=C(NCc1ccccc1O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000267372382 526755763 /nfs/dbraw/zinc/75/57/63/526755763.db2.gz RYYKKKBYEGDWHD-HNNXBMFYSA-N 1 0 302.418 2.663 20 10 DFCDRO O=C(c1cccc(O)c1O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000364830790 526772206 /nfs/dbraw/zinc/77/22/06/526772206.db2.gz QUIMQWXMEFGHRC-CQSZACIVSA-N 1 0 318.417 2.578 20 10 DFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000158111250 526892174 /nfs/dbraw/zinc/89/21/74/526892174.db2.gz UXIYZPIZDBYOBR-OAHLLOKOSA-N 1 0 322.836 2.926 20 10 DFCDRO O=C1NC[C@@]2(CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)O1 ZINC000364890792 527075484 /nfs/dbraw/zinc/07/54/84/527075484.db2.gz LGEJLHCMHGWTJX-GOSISDBHSA-N 1 0 312.369 2.620 20 10 DFCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000297582404 528147288 /nfs/dbraw/zinc/14/72/88/528147288.db2.gz DPYLIBNDXAINHG-MRXNPFEDSA-N 1 0 321.417 2.715 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)[C@]12CCCO2 ZINC000273650486 535408485 /nfs/dbraw/zinc/40/84/85/535408485.db2.gz WLPGJQINCAIMGE-KZNAEPCWSA-N 1 0 305.418 2.825 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+]CCC2(O)CCOCC2)cc1 ZINC000285624872 535686598 /nfs/dbraw/zinc/68/65/98/535686598.db2.gz WRYGTRIWVNDDED-UHFFFAOYSA-N 1 0 306.450 2.554 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]3OC)CC2)cc1 ZINC000163901687 536670047 /nfs/dbraw/zinc/67/00/47/536670047.db2.gz FHUYJCZWPQINKK-ROUUACIJSA-N 1 0 304.434 2.821 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(-c2nn[nH]n2)c1 ZINC000820433563 599392759 /nfs/dbraw/zinc/39/27/59/599392759.db2.gz ZGSIZSHXNOYFFV-LBPRGKRZSA-N 1 0 321.384 2.652 20 10 DFCDRO OCCCCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000079321401 185165081 /nfs/dbraw/zinc/16/50/81/185165081.db2.gz RORILQDPBDFDPZ-QGZVFWFLSA-N 1 0 307.434 2.926 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000092455218 185319780 /nfs/dbraw/zinc/31/97/80/185319780.db2.gz DWKFWLZKYFOXIF-HNNXBMFYSA-N 1 0 319.449 2.852 20 10 DFCDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCCCc4ccccc43)c21 ZINC000592495109 398433421 /nfs/dbraw/zinc/43/34/21/398433421.db2.gz FIXITYFHZZNRRJ-OAHLLOKOSA-N 1 0 324.428 2.702 20 10 DFCDRO C[C@H]1Cc2ccccc2N(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592527513 398443121 /nfs/dbraw/zinc/44/31/21/398443121.db2.gz HMXNYQWQUZOAKB-ZFWWWQNUSA-N 1 0 324.428 2.558 20 10 DFCDRO CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(N(C)C)cc1 ZINC000089680114 398463458 /nfs/dbraw/zinc/46/34/58/398463458.db2.gz RHRSLPYFOARTKX-RTBURBONSA-N 1 0 317.477 2.657 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000091896163 193124278 /nfs/dbraw/zinc/12/42/78/193124278.db2.gz ICZZAUQZSBNQPM-UHFFFAOYSA-N 1 0 318.461 2.914 20 10 DFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000093134401 193205719 /nfs/dbraw/zinc/20/57/19/193205719.db2.gz BEQOHKQNQAKLKT-AWEZNQCLSA-N 1 0 312.417 2.618 20 10 DFCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](CCO)c1ccccc1 ZINC000093442745 193253019 /nfs/dbraw/zinc/25/30/19/193253019.db2.gz QCNHECPVSXIIJP-HNNXBMFYSA-N 1 0 315.369 2.676 20 10 DFCDRO CC[C@@H](CO)[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000020195317 182196147 /nfs/dbraw/zinc/19/61/47/182196147.db2.gz HIAQWZKKBXSANA-JQWIXIFHSA-N 1 0 302.212 2.966 20 10 DFCDRO COC[C@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174282854 285354458 /nfs/dbraw/zinc/35/44/58/285354458.db2.gz ZTRQANJZVANSKU-STQMWFEESA-N 1 0 314.376 2.881 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271579508 129938623 /nfs/dbraw/zinc/93/86/23/129938623.db2.gz WRHJMNOEVMZPIO-IIAWOOMASA-N 1 0 322.424 2.880 20 10 DFCDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000271724700 129950682 /nfs/dbraw/zinc/95/06/82/129950682.db2.gz YLLWKURHDMNNPH-CYBMUJFWSA-N 1 0 305.399 2.517 20 10 DFCDRO [O-]c1c(F)cccc1C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000272378092 130024310 /nfs/dbraw/zinc/02/43/10/130024310.db2.gz HKIDBMDVILQTFO-ZDUSSCGKSA-N 1 0 307.340 2.611 20 10 DFCDRO CCC[N@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1ccccc1O ZINC000272744642 130059672 /nfs/dbraw/zinc/05/96/72/130059672.db2.gz LYXSLLUPFRAFDL-UHFFFAOYSA-N 1 0 302.374 2.919 20 10 DFCDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1cc(F)ccc1O ZINC000273483369 130125837 /nfs/dbraw/zinc/12/58/37/130125837.db2.gz MSLBLAKTXYTKLD-QITLCBANSA-N 1 0 319.376 2.667 20 10 DFCDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc2ccccc2c1O ZINC000273514973 130130261 /nfs/dbraw/zinc/13/02/61/130130261.db2.gz SJQYMXAAXDXSTK-ACJLOTCBSA-N 1 0 315.413 2.984 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000273510234 130130663 /nfs/dbraw/zinc/13/06/63/130130663.db2.gz RNCUDIZURILRAP-ZSZQSSIHSA-N 1 0 315.413 2.836 20 10 DFCDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@]23CCCO3)c1O ZINC000273561879 130137027 /nfs/dbraw/zinc/13/70/27/130137027.db2.gz FAUVUZXPPRAWNI-JFIYKMOQSA-N 1 0 321.417 2.607 20 10 DFCDRO COc1cc(Cl)cc(C[N@H+](C)CCc2cnccn2)c1O ZINC000273726178 130159397 /nfs/dbraw/zinc/15/93/97/130159397.db2.gz JJHFLYIYZMFRMD-UHFFFAOYSA-N 1 0 307.781 2.519 20 10 DFCDRO Oc1ccccc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274973126 130279387 /nfs/dbraw/zinc/27/93/87/130279387.db2.gz WKBPQSKTPURSTF-UHFFFAOYSA-N 1 0 312.417 2.700 20 10 DFCDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000275500662 130327817 /nfs/dbraw/zinc/32/78/17/130327817.db2.gz JPFKDTPEMBRAOW-RDJZCZTQSA-N 1 0 315.417 2.845 20 10 DFCDRO Cc1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)c(O)c1O ZINC000275933209 130412198 /nfs/dbraw/zinc/41/21/98/130412198.db2.gz WAYRHXCVDVRBJX-UHFFFAOYSA-N 1 0 314.385 2.763 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000280506421 130804427 /nfs/dbraw/zinc/80/44/27/130804427.db2.gz PZJXLFHYURFXQS-AWEZNQCLSA-N 1 0 321.417 2.561 20 10 DFCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000283143217 130963951 /nfs/dbraw/zinc/96/39/51/130963951.db2.gz WZFYFFQIAZDTGH-GFCCVEGCSA-N 1 0 324.421 2.746 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c(O)c1C ZINC000284368503 131074171 /nfs/dbraw/zinc/07/41/71/131074171.db2.gz ODIPSDXSQLJKFU-SQWLQELKSA-N 1 0 309.450 2.818 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H](c2nccn2C)C2CCOCC2)c1 ZINC000284652165 131100989 /nfs/dbraw/zinc/10/09/89/131100989.db2.gz GFFJFRXQGWGLFT-QGZVFWFLSA-N 1 0 315.417 2.692 20 10 DFCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000284983172 131127997 /nfs/dbraw/zinc/12/79/97/131127997.db2.gz GELKFADOUVHYKC-HOCLYGCPSA-N 1 0 304.434 2.918 20 10 DFCDRO CCOCc1cc(C[NH2+]CCC(C)(C)C(=O)OC)ccc1OC ZINC000285355474 131160812 /nfs/dbraw/zinc/16/08/12/131160812.db2.gz BFGXQNCSRZSOAC-UHFFFAOYSA-N 1 0 323.433 2.911 20 10 DFCDRO CC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(C)cc1O ZINC000287251422 131271199 /nfs/dbraw/zinc/27/11/99/131271199.db2.gz ZLAZETMNPOJKFX-UKRRQHHQSA-N 1 0 311.447 2.566 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC2(O)CCOCC2)cc1 ZINC000287625472 131291487 /nfs/dbraw/zinc/29/14/87/131291487.db2.gz TWXUAAFYHZADMP-OAHLLOKOSA-N 1 0 306.450 2.725 20 10 DFCDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccc(C)o2)c1O ZINC000289445732 131387326 /nfs/dbraw/zinc/38/73/26/131387326.db2.gz MNBLMRDIAHMCLV-UHFFFAOYSA-N 1 0 318.417 2.866 20 10 DFCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000293754144 131766036 /nfs/dbraw/zinc/76/60/36/131766036.db2.gz QQBWSURCROVUAY-GJZGRUSLSA-N 1 0 305.466 2.956 20 10 DFCDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000295311000 131896808 /nfs/dbraw/zinc/89/68/08/131896808.db2.gz YKKGHSVLCGWDGI-MRXNPFEDSA-N 1 0 317.477 2.927 20 10 DFCDRO C[C@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1O ZINC000297239595 132005239 /nfs/dbraw/zinc/00/52/39/132005239.db2.gz IKPXEONRRUCIER-YYWXWVFPSA-N 1 0 318.417 2.908 20 10 DFCDRO Nc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000297260753 132006136 /nfs/dbraw/zinc/00/61/36/132006136.db2.gz RPGKYLVQFPFYLE-UHFFFAOYSA-N 1 0 323.440 2.797 20 10 DFCDRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccccc2O)CCO1 ZINC000298580380 132069555 /nfs/dbraw/zinc/06/95/55/132069555.db2.gz XSBKSXLSUBVKAI-HNNXBMFYSA-N 1 0 312.413 2.907 20 10 DFCDRO CN(C)C(=O)CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000299218721 132094223 /nfs/dbraw/zinc/09/42/23/132094223.db2.gz YGMUZAMMUMSYIX-UHFFFAOYSA-N 1 0 303.450 2.587 20 10 DFCDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000293049092 543019354 /nfs/dbraw/zinc/01/93/54/543019354.db2.gz RIFFAKLBZYXQEB-YGRLFVJLSA-N 1 0 314.223 2.795 20 10 DFCDRO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187752927 286198543 /nfs/dbraw/zinc/19/85/43/286198543.db2.gz FDSNQXQIOBEWHM-NEPJUHHUSA-N 1 0 316.392 2.678 20 10 DFCDRO CCC[N@H+](CC(=O)Nc1nccs1)Cc1ccccc1O ZINC000068973686 425925179 /nfs/dbraw/zinc/92/51/79/425925179.db2.gz YVPUOFMPOYBLLL-UHFFFAOYSA-N 1 0 305.403 2.699 20 10 DFCDRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000038047180 425850491 /nfs/dbraw/zinc/85/04/91/425850491.db2.gz NNMHZCHQKAIEOO-LBPRGKRZSA-N 1 0 307.415 2.631 20 10 DFCDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)cc1 ZINC000109772986 426033037 /nfs/dbraw/zinc/03/30/37/426033037.db2.gz ZEGXYCGBCPTIOG-CYBMUJFWSA-N 1 0 314.385 2.860 20 10 DFCDRO CC[C@H](O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000076118451 426100232 /nfs/dbraw/zinc/10/02/32/426100232.db2.gz CZKGJTVSDUGLPK-LBPRGKRZSA-N 1 0 302.212 2.748 20 10 DFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cncs1 ZINC000165178880 426120497 /nfs/dbraw/zinc/12/04/97/426120497.db2.gz CONQNYXFHKGBSD-LBPRGKRZSA-N 1 0 321.421 2.970 20 10 DFCDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166471356 426127519 /nfs/dbraw/zinc/12/75/19/426127519.db2.gz YCEMQUIEXYMXIP-HNNXBMFYSA-N 1 0 317.477 2.927 20 10 DFCDRO CCC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000170900710 426157790 /nfs/dbraw/zinc/15/77/90/426157790.db2.gz CVWXGGCDRVDXFC-UHFFFAOYSA-N 1 0 303.450 2.585 20 10 DFCDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCCO1 ZINC000132960910 426171985 /nfs/dbraw/zinc/17/19/85/426171985.db2.gz LLYCJPGLFMXQFC-GFCCVEGCSA-N 1 0 300.196 2.766 20 10 DFCDRO COCC[NH+](CCOC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133408849 426176220 /nfs/dbraw/zinc/17/62/20/426176220.db2.gz WZENUUYHUATYKX-UHFFFAOYSA-N 1 0 308.205 2.794 20 10 DFCDRO CCOc1cccc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c1O ZINC000174443314 426257800 /nfs/dbraw/zinc/25/78/00/426257800.db2.gz HRBZYXJHNQOLHE-SFHVURJKSA-N 1 0 319.401 2.998 20 10 DFCDRO O=C1OCC[C@@H]1CCN1CCCc2cc(OC(F)F)ccc21 ZINC000120232494 426308172 /nfs/dbraw/zinc/30/81/72/426308172.db2.gz FDXBBUOVURRFQQ-NSHDSACASA-N 1 0 311.328 2.994 20 10 DFCDRO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)Cc1ccccc1O ZINC000121136797 426321886 /nfs/dbraw/zinc/32/18/86/426321886.db2.gz OGEDUUVCJGASBK-HNNXBMFYSA-N 1 0 324.424 2.797 20 10 DFCDRO CC[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccccc1O ZINC000121106242 426321973 /nfs/dbraw/zinc/32/19/73/426321973.db2.gz VFFIGCZWVHNADD-KRWDZBQOSA-N 1 0 312.413 2.792 20 10 DFCDRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000152337998 426338934 /nfs/dbraw/zinc/33/89/34/426338934.db2.gz OUUPIBDDQHJOGM-RDJZCZTQSA-N 1 0 315.461 2.948 20 10 DFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089125833 426280507 /nfs/dbraw/zinc/28/05/07/426280507.db2.gz JDCVSHPLUADGQW-RBUKOAKNSA-N 1 0 313.397 2.925 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCN2CCOCC2)cc1 ZINC000151175879 426281755 /nfs/dbraw/zinc/28/17/55/426281755.db2.gz NHXCSLAYSHZOBL-INIZCTEOSA-N 1 0 305.466 2.516 20 10 DFCDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000152380660 426341597 /nfs/dbraw/zinc/34/15/97/426341597.db2.gz MISKUVVWCZZJFR-MRXNPFEDSA-N 1 0 319.449 2.654 20 10 DFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000092070159 426346437 /nfs/dbraw/zinc/34/64/37/426346437.db2.gz FBDJFZWCGTVXCM-LBPRGKRZSA-N 1 0 306.797 2.549 20 10 DFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000121679025 426350814 /nfs/dbraw/zinc/35/08/14/426350814.db2.gz FKFPPDJCZFEORF-UHFFFAOYSA-N 1 0 317.458 2.933 20 10 DFCDRO Oc1cc2c(cc1C[NH+]1CCN(c3cccs3)CC1)OCO2 ZINC000121719309 426352480 /nfs/dbraw/zinc/35/24/80/426352480.db2.gz IGFMDACIUMVNJM-UHFFFAOYSA-N 1 0 318.398 2.505 20 10 DFCDRO CCN(CC)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152787477 426353904 /nfs/dbraw/zinc/35/39/04/426353904.db2.gz GEVOYYVOGPMZQV-OAHLLOKOSA-N 1 0 323.456 2.655 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000122764163 426393857 /nfs/dbraw/zinc/39/38/57/426393857.db2.gz WDGURJFPLFSRTJ-KRWDZBQOSA-N 1 0 303.450 2.585 20 10 DFCDRO CC(C)([NH2+]Cc1ccccc1O)c1cn(-c2ccccc2)nn1 ZINC000154055156 426422285 /nfs/dbraw/zinc/42/22/85/426422285.db2.gz HDEJPRQXUBMHBC-UHFFFAOYSA-N 1 0 308.385 2.998 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000155313349 426468321 /nfs/dbraw/zinc/46/83/21/426468321.db2.gz CRGVHCUKJXRJHK-CABCVRRESA-N 1 0 314.433 2.669 20 10 DFCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000155363484 426469576 /nfs/dbraw/zinc/46/95/76/426469576.db2.gz RRMZDBFGPOMBBS-KBXCAEBGSA-N 1 0 304.434 2.599 20 10 DFCDRO COc1cccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1O ZINC000155392707 426471267 /nfs/dbraw/zinc/47/12/67/426471267.db2.gz AUJZYPSSEJMUJC-INIZCTEOSA-N 1 0 320.433 2.528 20 10 DFCDRO Oc1cc2c(cc1C[NH+]1CCC(C3CCOCC3)CC1)OCO2 ZINC000155489944 426473063 /nfs/dbraw/zinc/47/30/63/426473063.db2.gz HSYFDGJDHGNFCQ-UHFFFAOYSA-N 1 0 319.401 2.760 20 10 DFCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1C ZINC000101904771 426486988 /nfs/dbraw/zinc/48/69/88/426486988.db2.gz MMOUFUFKDJMNPD-MRXNPFEDSA-N 1 0 318.461 2.993 20 10 DFCDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280151419 426507689 /nfs/dbraw/zinc/50/76/89/426507689.db2.gz FHGPOSMFRVFENO-NWDGAFQWSA-N 1 0 316.367 2.974 20 10 DFCDRO Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1C ZINC000195242268 426508156 /nfs/dbraw/zinc/50/81/56/426508156.db2.gz RIUWIPVGIXOBCT-CALCHBBNSA-N 1 0 323.440 2.694 20 10 DFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000280192045 426517031 /nfs/dbraw/zinc/51/70/31/426517031.db2.gz HKUNLOQAHYNKHH-APWZRJJASA-N 1 0 318.461 2.913 20 10 DFCDRO CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(C)cc1O ZINC000280239266 426528099 /nfs/dbraw/zinc/52/80/99/426528099.db2.gz VXXRYJLHURXQBR-CQSZACIVSA-N 1 0 311.447 2.566 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)C12CCOCC2 ZINC000186455957 426531142 /nfs/dbraw/zinc/53/11/42/426531142.db2.gz NEVXNQJZOWDNPL-JKSUJKDBSA-N 1 0 309.381 2.595 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c1 ZINC000186171392 426490795 /nfs/dbraw/zinc/49/07/95/426490795.db2.gz PFVOJQHPSMXQLV-KBPBESRZSA-N 1 0 313.401 2.725 20 10 DFCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186223864 426495160 /nfs/dbraw/zinc/49/51/60/426495160.db2.gz DQCVVQFAJILMLF-LBPRGKRZSA-N 1 0 304.434 2.694 20 10 DFCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCN(C(=O)OCC)CC1 ZINC000194977745 426496767 /nfs/dbraw/zinc/49/67/67/426496767.db2.gz CWDKTCNEDOWXSP-UHFFFAOYSA-N 1 0 319.449 2.983 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCc2ccccc2)c1 ZINC000186307368 426501767 /nfs/dbraw/zinc/50/17/67/426501767.db2.gz WEZVMDUNJWBZCO-OAHLLOKOSA-N 1 0 312.413 2.710 20 10 DFCDRO CC[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(C)cc1O ZINC000280042304 426502269 /nfs/dbraw/zinc/50/22/69/426502269.db2.gz IYNWRYDCPYYQNZ-HNNXBMFYSA-N 1 0 313.463 2.956 20 10 DFCDRO CC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccc(C)cc1O ZINC000280075778 426503959 /nfs/dbraw/zinc/50/39/59/426503959.db2.gz LKJGTTLTCUJDAU-WBVHZDCISA-N 1 0 306.450 2.710 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000280411663 426570543 /nfs/dbraw/zinc/57/05/43/426570543.db2.gz HYRZHUSCEQYYPE-IYOUNJFTSA-N 1 0 321.417 2.559 20 10 DFCDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280444467 426577275 /nfs/dbraw/zinc/57/72/75/426577275.db2.gz YKECCDWWBFJDOC-CHNSCGDPSA-N 1 0 322.396 2.628 20 10 DFCDRO Cc1ccc([C@H]([NH3+])C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000280501656 426586342 /nfs/dbraw/zinc/58/63/42/426586342.db2.gz DWUVUAVHOPCZFQ-IBGZPJMESA-N 1 0 323.440 2.694 20 10 DFCDRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000178214536 426588887 /nfs/dbraw/zinc/58/88/87/426588887.db2.gz OFRGXFXRARDUJL-OAHLLOKOSA-N 1 0 315.461 2.854 20 10 DFCDRO CC[C@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000178493958 426641341 /nfs/dbraw/zinc/64/13/41/426641341.db2.gz SOBQNQACQXGJNC-YOEHRIQHSA-N 1 0 303.450 2.804 20 10 DFCDRO COCCC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000178536298 426650434 /nfs/dbraw/zinc/65/04/34/426650434.db2.gz IVSFKMUENNBQGF-AWEZNQCLSA-N 1 0 324.440 2.692 20 10 DFCDRO COCCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000178536307 426651030 /nfs/dbraw/zinc/65/10/30/426651030.db2.gz IVSFKMUENNBQGF-CQSZACIVSA-N 1 0 324.440 2.692 20 10 DFCDRO CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273444783 426665435 /nfs/dbraw/zinc/66/54/35/426665435.db2.gz ZRSMSIWUHHKJOL-ZDUSSCGKSA-N 1 0 308.422 2.561 20 10 DFCDRO Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289659085 426670666 /nfs/dbraw/zinc/67/06/66/426670666.db2.gz NDTCHYLCEOEOEV-STQMWFEESA-N 1 0 303.324 2.693 20 10 DFCDRO CCOc1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000289681313 426672960 /nfs/dbraw/zinc/67/29/60/426672960.db2.gz FAPBGAPYEKLBMG-PBHICJAKSA-N 1 0 304.434 2.850 20 10 DFCDRO COc1ccc(-n2c(C)cc(C(=O)NCC[C@@H](C)[NH3+])c2C)cc1 ZINC000178674335 426673464 /nfs/dbraw/zinc/67/34/64/426673464.db2.gz PTCIRHDASYTCKZ-GFCCVEGCSA-N 1 0 315.417 2.570 20 10 DFCDRO CCOc1cccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000289945013 426676301 /nfs/dbraw/zinc/67/63/01/426676301.db2.gz XKTRQJXCNRQEAQ-GOEBONIOSA-N 1 0 304.434 2.850 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1ccc(C)cc1O ZINC000280888443 426678339 /nfs/dbraw/zinc/67/83/39/426678339.db2.gz DZWUUWCMEBAAPA-WBVHZDCISA-N 1 0 304.434 3.000 20 10 DFCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1O ZINC000281197259 426704327 /nfs/dbraw/zinc/70/43/27/426704327.db2.gz ITQQDZXRFNZZCA-OAHLLOKOSA-N 1 0 301.390 2.862 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000290161403 426706877 /nfs/dbraw/zinc/70/68/77/426706877.db2.gz LXKQEWJLMLORBZ-XIKOKIGWSA-N 1 0 317.385 2.621 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)nc2OC)c1 ZINC000290170993 426708489 /nfs/dbraw/zinc/70/84/89/426708489.db2.gz MRGROLTXHXNILT-NSHDSACASA-N 1 0 318.373 2.664 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290471261 426770761 /nfs/dbraw/zinc/77/07/61/426770761.db2.gz NNRFJSCXQZUZIP-GOSISDBHSA-N 1 0 301.478 2.916 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290471267 426771340 /nfs/dbraw/zinc/77/13/40/426771340.db2.gz NNRFJSCXQZUZIP-SFHVURJKSA-N 1 0 301.478 2.916 20 10 DFCDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)c(OC)n1 ZINC000290280719 426731712 /nfs/dbraw/zinc/73/17/12/426731712.db2.gz XDYZTVKSBHHVOO-GFCCVEGCSA-N 1 0 302.374 2.964 20 10 DFCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179566345 426802553 /nfs/dbraw/zinc/80/25/53/426802553.db2.gz NLZILSDNSNUWEY-GOEBONIOSA-N 1 0 304.434 2.909 20 10 DFCDRO CC(C)COC(=O)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179566544 426803284 /nfs/dbraw/zinc/80/32/84/426803284.db2.gz RTZTZRBHNCCGPM-UHFFFAOYSA-N 1 0 306.406 2.693 20 10 DFCDRO Oc1ccccc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000179586521 426805387 /nfs/dbraw/zinc/80/53/87/426805387.db2.gz ZKTYENABPWFFEU-HKUYNNGSSA-N 1 0 313.397 2.717 20 10 DFCDRO C[C@@H](c1ccccc1)[N@H+](CCOCCO)Cc1ccccc1O ZINC000179643924 426809830 /nfs/dbraw/zinc/80/98/30/426809830.db2.gz XFGAMDVUAYZQGD-INIZCTEOSA-N 1 0 315.413 2.964 20 10 DFCDRO CCOc1cccc(CN2CCC[C@H]2C[NH+]2CCCC2)c1O ZINC000179644198 426810129 /nfs/dbraw/zinc/81/01/29/426810129.db2.gz BWTDNRCDULXCEF-INIZCTEOSA-N 1 0 304.434 2.851 20 10 DFCDRO CCCCNC(=O)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000179699302 426812367 /nfs/dbraw/zinc/81/23/67/426812367.db2.gz GTOGYDMPEHYZFC-UHFFFAOYSA-N 1 0 320.433 2.529 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1O ZINC000179803196 426819822 /nfs/dbraw/zinc/81/98/22/426819822.db2.gz IVFNUHWBCYTFRG-MRXNPFEDSA-N 1 0 324.852 2.651 20 10 DFCDRO COCC[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000282145225 426840583 /nfs/dbraw/zinc/84/05/83/426840583.db2.gz HIILPRMRLQMIBC-QGZVFWFLSA-N 1 0 301.386 2.546 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cnn(CCOC)c2)cc1 ZINC000282475219 426916386 /nfs/dbraw/zinc/91/63/86/426916386.db2.gz GUYONSBBPUQDPX-HNNXBMFYSA-N 1 0 316.449 2.836 20 10 DFCDRO CC[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1O)OC ZINC000290939393 426871435 /nfs/dbraw/zinc/87/14/35/426871435.db2.gz PTRORLPQIDPQSX-LBPRGKRZSA-N 1 0 302.212 2.978 20 10 DFCDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000295230254 426871588 /nfs/dbraw/zinc/87/15/88/426871588.db2.gz RVHRUJGUNJWSPV-OAHLLOKOSA-N 1 0 315.461 2.680 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1O ZINC000290970857 426873782 /nfs/dbraw/zinc/87/37/82/426873782.db2.gz SMDGKGDNKHXMAT-OAHLLOKOSA-N 1 0 313.825 2.941 20 10 DFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H](C)O)c1O ZINC000267393835 426878954 /nfs/dbraw/zinc/87/89/54/426878954.db2.gz PKBVSDYEJJIZDM-XHDPSFHLSA-N 1 0 311.809 2.984 20 10 DFCDRO COc1c(O)c(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000291506143 426900316 /nfs/dbraw/zinc/90/03/16/426900316.db2.gz HUEDDROTKADDAH-HNNXBMFYSA-N 1 0 306.362 2.929 20 10 DFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCCCN3C[C@@H]2C)c1O ZINC000316777153 426950017 /nfs/dbraw/zinc/95/00/17/426950017.db2.gz AATSPOWPJSZWRN-HOCLYGCPSA-N 1 0 304.434 2.850 20 10 DFCDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000292008476 427055750 /nfs/dbraw/zinc/05/57/50/427055750.db2.gz YLFNVCQBKAVERC-STQMWFEESA-N 1 0 307.413 2.601 20 10 DFCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283323314 426996832 /nfs/dbraw/zinc/99/68/32/426996832.db2.gz ZUQBAGZSZJDYNA-MRXNPFEDSA-N 1 0 324.424 2.986 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)c(O)c1C ZINC000283446629 427014417 /nfs/dbraw/zinc/01/44/17/427014417.db2.gz UIBXXDPSXOWHFO-UKRRQHHQSA-N 1 0 302.418 2.861 20 10 DFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)c(O)c1C ZINC000283446634 427015456 /nfs/dbraw/zinc/01/54/56/427015456.db2.gz UIBXXDPSXOWHFO-ZFWWWQNUSA-N 1 0 302.418 2.861 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(N(C)C)cc1 ZINC000283446549 427016266 /nfs/dbraw/zinc/01/62/66/427016266.db2.gz UHYSGCCCZHXIPK-CJNGLKHVSA-N 1 0 301.434 2.605 20 10 DFCDRO CN(CCC[NH2+][C@H]1CCc2cccc(O)c21)CC(F)(F)F ZINC000295950018 427024771 /nfs/dbraw/zinc/02/47/71/427024771.db2.gz LINPCAHHZQBDJH-LBPRGKRZSA-N 1 0 302.340 2.853 20 10 DFCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CC2 ZINC000296028863 427049500 /nfs/dbraw/zinc/04/95/00/427049500.db2.gz PZYNRHXJBKVIGT-QGZVFWFLSA-N 1 0 320.396 2.809 20 10 DFCDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)c1ncnn1C ZINC000276698627 427119069 /nfs/dbraw/zinc/11/90/69/427119069.db2.gz VNQUNVQCPZLWCY-NWDGAFQWSA-N 1 0 300.406 2.811 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268822680 427127411 /nfs/dbraw/zinc/12/74/11/427127411.db2.gz KIDROCMUIFVELM-WBVHZDCISA-N 1 0 315.461 2.948 20 10 DFCDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268846025 427134752 /nfs/dbraw/zinc/13/47/52/427134752.db2.gz AMEFHUHNCBXBQQ-YOEHRIQHSA-N 1 0 324.440 2.720 20 10 DFCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000268837698 427135338 /nfs/dbraw/zinc/13/53/38/427135338.db2.gz HBXOQFAGQATOQC-APIJFGDWSA-N 1 0 324.440 2.952 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000268943524 427138715 /nfs/dbraw/zinc/13/87/15/427138715.db2.gz ATLPOWGMPZHVGB-SOUVJXGZSA-N 1 0 324.440 2.720 20 10 DFCDRO COCC[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000268910118 427140112 /nfs/dbraw/zinc/14/01/12/427140112.db2.gz YQGHAULHCIBASI-RRFJBIMHSA-N 1 0 324.440 2.954 20 10 DFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277238669 427141941 /nfs/dbraw/zinc/14/19/41/427141941.db2.gz ZPNVAEQQKISAIW-AWEZNQCLSA-N 1 0 312.417 2.810 20 10 DFCDRO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000268980097 427142111 /nfs/dbraw/zinc/14/21/11/427142111.db2.gz OPOZUQIRQOZCSR-PBHICJAKSA-N 1 0 307.507 2.841 20 10 DFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[NH2+]CC1CC1 ZINC000269105385 427148451 /nfs/dbraw/zinc/14/84/51/427148451.db2.gz JNCUGTQDXMMQTG-UHFFFAOYSA-N 1 0 315.461 2.635 20 10 DFCDRO O=C(NCc1ccccc1O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000269167907 427151702 /nfs/dbraw/zinc/15/17/02/427151702.db2.gz XSULMYSCSMGGDO-UHFFFAOYSA-N 1 0 310.397 2.918 20 10 DFCDRO C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1[NH+](C)C ZINC000251894236 427168016 /nfs/dbraw/zinc/16/80/16/427168016.db2.gz VVDGYYWAAPXXBT-GXFFZTMASA-N 1 0 313.239 2.537 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN3CCCC[C@H]23)c1O ZINC000252866433 427196965 /nfs/dbraw/zinc/19/69/65/427196965.db2.gz RAQIGRAVDJRHKH-UONOGXRCSA-N 1 0 310.825 2.771 20 10 DFCDRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000183394016 427261755 /nfs/dbraw/zinc/26/17/55/427261755.db2.gz XMQIHJGFDMYIFM-ZNMIVQPWSA-N 1 0 306.450 2.931 20 10 DFCDRO Cc1cccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1O ZINC000293519643 427350736 /nfs/dbraw/zinc/35/07/36/427350736.db2.gz AWWHMTOKLGTEFY-UHFFFAOYSA-N 1 0 312.413 2.827 20 10 DFCDRO Cc1cncc(/C=C\C(=O)N2CCN(C)Cc3ccccc32)c1 ZINC000255882981 427298179 /nfs/dbraw/zinc/29/81/79/427298179.db2.gz NLHPYHIJRIOPMN-FPLPWBNLSA-N 1 0 307.397 2.882 20 10 DFCDRO CCCN(CCC)c1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1 ZINC000184183667 427411841 /nfs/dbraw/zinc/41/18/41/427411841.db2.gz JZBYFZTVDWRVDY-GOSISDBHSA-N 1 0 306.450 2.554 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1F ZINC000271139348 427412308 /nfs/dbraw/zinc/41/23/08/427412308.db2.gz WDWCAYKASHLXNT-AWEZNQCLSA-N 1 0 302.397 2.994 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1F ZINC000271139349 427412362 /nfs/dbraw/zinc/41/23/62/427412362.db2.gz WDWCAYKASHLXNT-CQSZACIVSA-N 1 0 302.397 2.994 20 10 DFCDRO Cc1cccc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000191734953 427416322 /nfs/dbraw/zinc/41/63/22/427416322.db2.gz KSCJRCDKNCGDGS-HNNXBMFYSA-N 1 0 303.431 2.724 20 10 DFCDRO Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000262575562 427362593 /nfs/dbraw/zinc/36/25/93/427362593.db2.gz JIRQTNMKHNGCMU-INIZCTEOSA-N 1 0 311.429 2.824 20 10 DFCDRO Cc1cc(O)c(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1C ZINC000278222558 427423984 /nfs/dbraw/zinc/42/39/84/427423984.db2.gz IRMUVDMRJWHVKP-MRXNPFEDSA-N 1 0 318.461 2.694 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCC(C3(C)OCCO3)CC2)c1 ZINC000271158890 427424644 /nfs/dbraw/zinc/42/46/44/427424644.db2.gz FAWRUNLYAZILTR-UHFFFAOYSA-N 1 0 321.417 2.766 20 10 DFCDRO C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409701 427434768 /nfs/dbraw/zinc/43/47/68/427434768.db2.gz FEKIJWCOSKYNHB-SJORKVTESA-N 1 0 319.493 2.904 20 10 DFCDRO COc1c(O)c(C[N@H+](C)[C@@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000278508632 427441888 /nfs/dbraw/zinc/44/18/88/427441888.db2.gz PKFVHGNIHKYFNA-NSHDSACASA-N 1 0 317.345 2.897 20 10 DFCDRO COc1c(O)c(C[NH2+][C@@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000278945981 427510334 /nfs/dbraw/zinc/51/03/34/427510334.db2.gz YODPTPQCXJOLCF-JTQLQIEISA-N 1 0 303.318 2.555 20 10 DFCDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(Br)ccc1O ZINC000184850368 427551036 /nfs/dbraw/zinc/55/10/36/427551036.db2.gz QIAYRNHBZVGAAE-KOLCDFICSA-N 1 0 300.196 2.984 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000184914618 427564043 /nfs/dbraw/zinc/56/40/43/427564043.db2.gz XLOCIGAAGLWLGC-BZUAXINKSA-N 1 0 306.450 2.851 20 10 DFCDRO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1O ZINC000184914826 427565105 /nfs/dbraw/zinc/56/51/05/427565105.db2.gz YNOCBCYZKBODHU-MCIONIFRSA-N 1 0 310.413 2.681 20 10 DFCDRO C[S@@](=O)C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000184937972 427567039 /nfs/dbraw/zinc/56/70/39/427567039.db2.gz FHUWABFJDLPSRR-QVKFZJNVSA-N 1 0 307.390 2.741 20 10 DFCDRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1ccccc1O ZINC000271685389 427580337 /nfs/dbraw/zinc/58/03/37/427580337.db2.gz QFJRBGUVIDYICU-JTQLQIEISA-N 1 0 310.195 2.702 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271579506 427581091 /nfs/dbraw/zinc/58/10/91/427581091.db2.gz WRHJMNOEVMZPIO-FMKPAKJESA-N 1 0 322.424 2.880 20 10 DFCDRO Cc1cc(Br)cc(C[NH+]2CCC(CO)CC2)c1O ZINC000271711992 427583437 /nfs/dbraw/zinc/58/34/37/427583437.db2.gz BCDZBWFBVDIWPE-UHFFFAOYSA-N 1 0 314.223 2.667 20 10 DFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1OC ZINC000271765125 427585131 /nfs/dbraw/zinc/58/51/31/427585131.db2.gz AHCDVGBJJUOMNL-UKRRQHHQSA-N 1 0 309.406 2.703 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]C(C)(C)[C@H](C)O)c1O ZINC000271866081 427591045 /nfs/dbraw/zinc/59/10/45/427591045.db2.gz WGCXPZAYJBDWFE-VIFPVBQESA-N 1 0 302.212 2.712 20 10 DFCDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(Br)cc1O ZINC000185113377 427595583 /nfs/dbraw/zinc/59/55/83/427595583.db2.gz GUIAYHUADYACML-SECBINFHSA-N 1 0 310.195 2.739 20 10 DFCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279202956 427596369 /nfs/dbraw/zinc/59/63/69/427596369.db2.gz MZMPRYXQNJEHLM-GJZGRUSLSA-N 1 0 304.434 2.861 20 10 DFCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185130080 427600164 /nfs/dbraw/zinc/60/01/64/427600164.db2.gz RURUMGGFNBJRAJ-HIFRSBDPSA-N 1 0 319.376 2.930 20 10 DFCDRO COC1CCN(c2ccc(C[N@H+]3[C@H](C)COC[C@@H]3C)cc2)CC1 ZINC000294928864 427665322 /nfs/dbraw/zinc/66/53/22/427665322.db2.gz IWVUGRLTKGVKNX-IYBDPMFKSA-N 1 0 318.461 2.911 20 10 DFCDRO COCCCN1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185314434 427634222 /nfs/dbraw/zinc/63/42/22/427634222.db2.gz SAPIQUPLBJILNZ-CQSZACIVSA-N 1 0 322.449 2.552 20 10 DFCDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185376981 427643701 /nfs/dbraw/zinc/64/37/01/427643701.db2.gz DVRHLNJMEWASEW-NSHDSACASA-N 1 0 310.825 2.955 20 10 DFCDRO Cc1cccc(C[NH2+]CCc2cnc3c(Cl)cnn3c2)c1O ZINC000294677550 427649399 /nfs/dbraw/zinc/64/93/99/427649399.db2.gz AXFXBMOHMXPXIM-UHFFFAOYSA-N 1 0 316.792 2.729 20 10 DFCDRO Cc1ccc(O)c(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000294810221 427661450 /nfs/dbraw/zinc/66/14/50/427661450.db2.gz NSPYLZFQNUETMV-UHFFFAOYSA-N 1 0 310.397 2.964 20 10 DFCDRO CN(C)C(=O)C1([NH2+]Cc2ccc3c(c2)CCO3)CCCCC1 ZINC000295032723 427670155 /nfs/dbraw/zinc/67/01/55/427670155.db2.gz OASTWRAHWNEKQZ-UHFFFAOYSA-N 1 0 302.418 2.502 20 10 DFCDRO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185866493 427721315 /nfs/dbraw/zinc/72/13/15/427721315.db2.gz ISSNFVMXCWHHHZ-LLVKDONJSA-N 1 0 319.405 2.556 20 10 DFCDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185867128 427721546 /nfs/dbraw/zinc/72/15/46/427721546.db2.gz AOSXXKWPWHYUQC-JTQLQIEISA-N 1 0 307.369 2.687 20 10 DFCDRO CCOCc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000295102008 427691860 /nfs/dbraw/zinc/69/18/60/427691860.db2.gz VBDSYLFBAHBJEU-AYHJJNSGSA-N 1 0 318.461 2.947 20 10 DFCDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185802258 427707572 /nfs/dbraw/zinc/70/75/72/427707572.db2.gz QDDWMHHEMIYVQC-KOLCDFICSA-N 1 0 302.212 2.966 20 10 DFCDRO CCOCc1cc(C[NH2+][C@@H](CO)CC2CCC2)ccc1OC ZINC000279781696 427718952 /nfs/dbraw/zinc/71/89/52/427718952.db2.gz LLMFVEMWYQKGQF-QGZVFWFLSA-N 1 0 307.434 2.872 20 10 DFCDRO CC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)[NH+](C)C ZINC000298921894 427729611 /nfs/dbraw/zinc/72/96/11/427729611.db2.gz OUVMOVIARXHIMP-QGZVFWFLSA-N 1 0 305.466 2.830 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc2c(cc1O)CCCC2 ZINC000185994150 427740380 /nfs/dbraw/zinc/74/03/80/427740380.db2.gz HAGDACWQMRWJPI-IUODEOHRSA-N 1 0 312.417 2.528 20 10 DFCDRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Cl)ccc1O ZINC000186027615 427741422 /nfs/dbraw/zinc/74/14/22/427741422.db2.gz GTVYCRMUQZVZHX-SNVBAGLBSA-N 1 0 319.854 2.910 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1O ZINC000186051583 427744079 /nfs/dbraw/zinc/74/40/79/427744079.db2.gz ZFLCEOAYXHCKMJ-OCCSQVGLSA-N 1 0 316.380 2.641 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOC2CCOCC2)c1 ZINC000186074258 427744970 /nfs/dbraw/zinc/74/49/70/427744970.db2.gz QSFJVVJKKNICBN-ZDUSSCGKSA-N 1 0 309.406 2.637 20 10 DFCDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)C[C@@]2(CCOC2)O1 ZINC000369546346 427995992 /nfs/dbraw/zinc/99/59/92/427995992.db2.gz OGYOOOJIIVWVHZ-MRXNPFEDSA-N 1 0 311.809 2.816 20 10 DFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000359910082 428073710 /nfs/dbraw/zinc/07/37/10/428073710.db2.gz ZRWILMFMPSJQOB-GDBMZVCRSA-N 1 0 304.434 2.821 20 10 DFCDRO Oc1ccc(Cl)cc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000370080123 428127880 /nfs/dbraw/zinc/12/78/80/428127880.db2.gz DKWJEQAKXPGWAN-UHFFFAOYSA-N 1 0 318.808 2.594 20 10 DFCDRO C[C@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO[C@H]1C1CC1 ZINC000359973351 428098487 /nfs/dbraw/zinc/09/84/87/428098487.db2.gz KRRSFXTXTAAPHB-OALUTQOASA-N 1 0 316.445 2.570 20 10 DFCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1c[nH]c2nccnc12 ZINC000356381833 428152562 /nfs/dbraw/zinc/15/25/62/428152562.db2.gz BFYBYMCFOYWDCV-UHFFFAOYSA-N 1 0 305.385 2.999 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCO[C@H]3CCC[C@H]32)c1O ZINC000370170915 428148645 /nfs/dbraw/zinc/14/86/45/428148645.db2.gz VWUYHYSMWGKYRX-CVEARBPZSA-N 1 0 307.365 2.877 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000370223765 428163077 /nfs/dbraw/zinc/16/30/77/428163077.db2.gz DZSHOUUPSJTXQY-WMZOPIPTSA-N 1 0 315.417 2.824 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370259841 428170562 /nfs/dbraw/zinc/17/05/62/428170562.db2.gz DXVIGBKMRFXHRY-SFHVURJKSA-N 1 0 324.424 2.634 20 10 DFCDRO CC(C)[C@@H](C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)[NH+](C)C ZINC000370650810 428264239 /nfs/dbraw/zinc/26/42/39/428264239.db2.gz NICFKMYRNWGSGO-SFHVURJKSA-N 1 0 315.461 2.564 20 10 DFCDRO CCCOc1ccc(CN2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c(O)c1 ZINC000371552906 428394311 /nfs/dbraw/zinc/39/43/11/428394311.db2.gz KCJCVVPUNCQYSW-YOEHRIQHSA-N 1 0 304.434 2.707 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1N1CCOCC1)c1ccccc1O ZINC000371681558 428400959 /nfs/dbraw/zinc/40/09/59/428400959.db2.gz ROQGURLERIANNP-ZOBUZTSGSA-N 1 0 304.434 2.544 20 10 DFCDRO COc1ccc2c(c1)[C@@](O)(C[NH2+]Cc1ccccc1O)CCC2 ZINC000371357074 428386398 /nfs/dbraw/zinc/38/63/98/428386398.db2.gz FXLNYSRROHVBGP-IBGZPJMESA-N 1 0 313.397 2.715 20 10 DFCDRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000371381294 428386826 /nfs/dbraw/zinc/38/68/26/428386826.db2.gz DGOUHSTVMWGXKS-AWEZNQCLSA-N 1 0 300.406 2.692 20 10 DFCDRO OC[C@@H]1CCCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000372399945 428440137 /nfs/dbraw/zinc/44/01/37/428440137.db2.gz YTQZDOKHQPYDLN-LLVKDONJSA-N 1 0 314.223 2.749 20 10 DFCDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCN3C)o1 ZINC000372411843 428444400 /nfs/dbraw/zinc/44/44/00/428444400.db2.gz KCCSWKFHHQDKCD-UHFFFAOYSA-N 1 0 314.385 2.738 20 10 DFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc1 ZINC000372417781 428446925 /nfs/dbraw/zinc/44/69/25/428446925.db2.gz XTXPUZIAMJWPAH-SFHVURJKSA-N 1 0 315.461 2.730 20 10 DFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(c3nnc[nH]3)CC2)c1O ZINC000360809576 428447740 /nfs/dbraw/zinc/44/77/40/428447740.db2.gz KWLQYKUEADWHNC-UHFFFAOYSA-N 1 0 306.797 2.852 20 10 DFCDRO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2O)n1 ZINC000361052166 428532034 /nfs/dbraw/zinc/53/20/34/428532034.db2.gz MAZCRLPZJBCQEN-INIZCTEOSA-N 1 0 300.406 2.655 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000373477849 428588353 /nfs/dbraw/zinc/58/83/53/428588353.db2.gz CCFXCEKDXDTVJH-ZWKOTPCHSA-N 1 0 304.434 2.523 20 10 DFCDRO Cc1cccc(C[N@@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)c1O ZINC000373605567 428619126 /nfs/dbraw/zinc/61/91/26/428619126.db2.gz YTHHVLHKGDZTGX-SFHVURJKSA-N 1 0 305.418 2.861 20 10 DFCDRO OC[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000373813652 428650589 /nfs/dbraw/zinc/65/05/89/428650589.db2.gz WODCRUVGRRXTHZ-FZKQIMNGSA-N 1 0 301.361 2.917 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000179849648 274114535 /nfs/dbraw/zinc/11/45/35/274114535.db2.gz KOBBJUVFCPUFAS-UHFFFAOYSA-N 1 0 319.430 2.570 20 10 DFCDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000373738115 428644894 /nfs/dbraw/zinc/64/48/94/428644894.db2.gz NFPBDAFAUPERTA-YEWWUXTCSA-N 1 0 310.397 2.631 20 10 DFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000374284560 428672144 /nfs/dbraw/zinc/67/21/44/428672144.db2.gz AHYOFXOEODTFIF-PKOBYXMFSA-N 1 0 318.461 2.961 20 10 DFCDRO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374325624 428675002 /nfs/dbraw/zinc/67/50/02/428675002.db2.gz PKIMEMVSVRUNRL-AWEZNQCLSA-N 1 0 315.461 2.755 20 10 DFCDRO Cc1ccc(O)c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000362351902 428715113 /nfs/dbraw/zinc/71/51/13/428715113.db2.gz LBLGHONGPWKWRE-UHFFFAOYSA-N 1 0 312.417 2.618 20 10 DFCDRO C[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)c1ccccc1O ZINC000374673769 428728689 /nfs/dbraw/zinc/72/86/89/428728689.db2.gz AYJDIHOAJNJKJR-NBOOPKSLSA-N 1 0 318.461 2.932 20 10 DFCDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2c(O)ccc3ccccc32)CC1=O ZINC000363416109 428910471 /nfs/dbraw/zinc/91/04/71/428910471.db2.gz YUXQAOXKLXTYFY-SUYBPPKGSA-N 1 0 310.397 2.644 20 10 DFCDRO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1Cc1ccccc1 ZINC000363086298 428854929 /nfs/dbraw/zinc/85/49/29/428854929.db2.gz TYJKLGQVALMKDH-GOSISDBHSA-N 1 0 322.408 2.512 20 10 DFCDRO C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(F)ccc1O ZINC000363863130 429000034 /nfs/dbraw/zinc/00/00/34/429000034.db2.gz JZWRYUJSIVGAJV-GFCCVEGCSA-N 1 0 301.361 2.712 20 10 DFCDRO CCCOc1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c(O)c1 ZINC000363935476 429144199 /nfs/dbraw/zinc/14/41/99/429144199.db2.gz BGTRVLKDJFFYEI-AWEZNQCLSA-N 1 0 301.390 2.551 20 10 DFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c1 ZINC000376520422 429128468 /nfs/dbraw/zinc/12/84/68/429128468.db2.gz KMXSTEVSEQIWNQ-CJNGLKHVSA-N 1 0 315.417 2.618 20 10 DFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)c(O)c1C ZINC000363866629 429130873 /nfs/dbraw/zinc/13/08/73/429130873.db2.gz INBLCXSQXROICB-CQSZACIVSA-N 1 0 323.400 2.836 20 10 DFCDRO Cc1cccn2c(C[NH2+]Cc3ccc4c(c3)CCN4C)cnc12 ZINC000364450446 429205767 /nfs/dbraw/zinc/20/57/67/429205767.db2.gz SZBYFGSMBXYABV-UHFFFAOYSA-N 1 0 306.413 2.925 20 10 DFCDRO CCOc1cccc(C[N@H+](C)C[C@H]2CCc3nccn3C2)c1O ZINC000364668518 429245382 /nfs/dbraw/zinc/24/53/82/429245382.db2.gz AXRPHVDDSLCXIP-CQSZACIVSA-N 1 0 315.417 2.682 20 10 DFCDRO COc1ccc(O)c(C[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365256887 429289219 /nfs/dbraw/zinc/28/92/19/429289219.db2.gz PNIVACQOEKCDJF-LIRRHRJNSA-N 1 0 313.397 2.786 20 10 DFCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000366530792 429470814 /nfs/dbraw/zinc/47/08/14/429470814.db2.gz QAIWLYUCRCJYHZ-DZGCQCFKSA-N 1 0 318.417 2.833 20 10 DFCDRO CCN(CC)c1ccc(CN2CCO[C@H]3CCOC[C@@H]32)cc1 ZINC000366488455 429461959 /nfs/dbraw/zinc/46/19/59/429461959.db2.gz JAPNIFMIXVADDG-ROUUACIJSA-N 1 0 304.434 2.523 20 10 DFCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1O ZINC000367039832 429564024 /nfs/dbraw/zinc/56/40/24/429564024.db2.gz AUIJWWMBFHMBKP-WBVHZDCISA-N 1 0 324.424 2.886 20 10 DFCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000367308716 429616341 /nfs/dbraw/zinc/61/63/41/429616341.db2.gz QSJIKNSYCSVCEJ-CVEARBPZSA-N 1 0 314.433 2.945 20 10 DFCDRO CC[C@H](c1ccccc1O)[NH+]1CCN(c2nccnc2C)CC1 ZINC000367322333 429621387 /nfs/dbraw/zinc/62/13/87/429621387.db2.gz PVEJXBUBHALYCA-MRXNPFEDSA-N 1 0 312.417 2.764 20 10 DFCDRO Oc1ccc2ccccc2c1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000367423623 429645020 /nfs/dbraw/zinc/64/50/20/429645020.db2.gz VUEITQNNJRBXQS-KXBFYZLASA-N 1 0 313.397 2.973 20 10 DFCDRO CCOc1ccc(O)c(C[N@H+](CCO)Cc2ccccc2)c1 ZINC000270980011 276375130 /nfs/dbraw/zinc/37/51/30/276375130.db2.gz CTGCRPMMZYERHT-UHFFFAOYSA-N 1 0 301.386 2.785 20 10 DFCDRO CCOc1cccc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000289626217 276379990 /nfs/dbraw/zinc/37/99/90/276379990.db2.gz LUECUPVZCUCABI-GOEBONIOSA-N 1 0 304.434 2.850 20 10 DFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000368103821 429789083 /nfs/dbraw/zinc/78/90/83/429789083.db2.gz YXJWPXAHPNFTBE-MSOLQXFVSA-N 1 0 323.440 2.776 20 10 DFCDRO C[C@H]([NH2+]CC12CC(C1)CO2)c1ccc(Br)cc1O ZINC000527980050 429830646 /nfs/dbraw/zinc/83/06/46/429830646.db2.gz LNGIRABHMMYDQE-IPWFMCSPSA-N 1 0 312.207 2.984 20 10 DFCDRO CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000528004551 429835545 /nfs/dbraw/zinc/83/55/45/429835545.db2.gz RTCHSYKDSXZAPY-JKSUJKDBSA-N 1 0 308.381 2.796 20 10 DFCDRO COc1ccc(O)c([C@@H](C)[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000368568452 429868088 /nfs/dbraw/zinc/86/80/88/429868088.db2.gz QQOWNSDTCZUFGV-ZIAGYGMSSA-N 1 0 321.417 2.732 20 10 DFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@]12CCCO2 ZINC000368707993 429889352 /nfs/dbraw/zinc/88/93/52/429889352.db2.gz UTCYWTHKTQAFII-OAGGEKHMSA-N 1 0 311.809 2.862 20 10 DFCDRO CN1CCC[C@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1=O ZINC000368720118 429890192 /nfs/dbraw/zinc/89/01/92/429890192.db2.gz VKJQNPPQHPIXFG-HXUWFJFHSA-N 1 0 324.424 2.990 20 10 DFCDRO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000368823812 429896729 /nfs/dbraw/zinc/89/67/29/429896729.db2.gz JGRUVQWOLYSHDV-ZIAGYGMSSA-N 1 0 314.433 2.829 20 10 DFCDRO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)CC2 ZINC000368823808 429896908 /nfs/dbraw/zinc/89/69/08/429896908.db2.gz JGRUVQWOLYSHDV-KGLIPLIRSA-N 1 0 314.433 2.829 20 10 DFCDRO Oc1ccccc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000369037620 429909081 /nfs/dbraw/zinc/90/90/81/429909081.db2.gz YEWJRYCERCCGNE-UHFFFAOYSA-N 1 0 301.365 2.639 20 10 DFCDRO C[C@]1(C[NH2+]Cc2cc(F)ccc2O)COc2ccccc2O1 ZINC000529637173 430043470 /nfs/dbraw/zinc/04/34/70/430043470.db2.gz ORHTZUZWCAREOR-KRWDZBQOSA-N 1 0 303.333 2.851 20 10 DFCDRO 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CN(C)c1ccc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1 ZINC000376969614 337044327 /nfs/dbraw/zinc/04/43/27/337044327.db2.gz WTANUKJMALEDDG-ICSRJNTNSA-N 1 0 324.472 2.930 20 10 DFCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000377852436 337062597 /nfs/dbraw/zinc/06/25/97/337062597.db2.gz QGHRTHZQMNNLDC-HOCLYGCPSA-N 1 0 302.418 2.788 20 10 DFCDRO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1N1CCOCC1 ZINC000378341813 337070290 /nfs/dbraw/zinc/07/02/90/337070290.db2.gz MDRWQJIEIQHOES-XJKSGUPXSA-N 1 0 324.852 2.588 20 10 DFCDRO COCCC[N@@H+]1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000378349593 337070576 /nfs/dbraw/zinc/07/05/76/337070576.db2.gz KQBJGTUPJWBRAF-UHFFFAOYSA-N 1 0 312.841 2.590 20 10 DFCDRO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cc(C)ccc2O)n1 ZINC000378348536 337070697 /nfs/dbraw/zinc/07/06/97/337070697.db2.gz FLTRDCBGBLMMGN-QGZVFWFLSA-N 1 0 314.433 2.964 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1O ZINC000378440786 337072757 /nfs/dbraw/zinc/07/27/57/337072757.db2.gz CJDDEYOSWFRYQS-LLVKDONJSA-N 1 0 306.797 2.852 20 10 DFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cn2cncn2)c1O ZINC000378445537 337072909 /nfs/dbraw/zinc/07/29/09/337072909.db2.gz VBAHRQWEJYESRB-AWEZNQCLSA-N 1 0 306.797 2.610 20 10 DFCDRO CCOc1cccc(C[NH2+]Cc2nc(C)n3c2CCCC3)c1O ZINC000360054199 337084414 /nfs/dbraw/zinc/08/44/14/337084414.db2.gz AVIAXXHWZGAJFF-UHFFFAOYSA-N 1 0 315.417 2.922 20 10 DFCDRO Cc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC000179097287 337167183 /nfs/dbraw/zinc/16/71/83/337167183.db2.gz ZRLWIQKONXCPBR-QGZVFWFLSA-N 1 0 311.429 2.836 20 10 DFCDRO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000179709085 337169261 /nfs/dbraw/zinc/16/92/61/337169261.db2.gz JRJJNRKAYVEKON-AWEZNQCLSA-N 1 0 300.358 2.797 20 10 DFCDRO Oc1ccccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000179583916 337170352 /nfs/dbraw/zinc/17/03/52/337170352.db2.gz IUNIDXBDGWAPJT-KRWDZBQOSA-N 1 0 305.418 2.942 20 10 DFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000182090714 337184457 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COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c2OCO3)c1 ZINC000194401316 338522523 /nfs/dbraw/zinc/52/25/23/338522523.db2.gz SEERZFHCDOWVKR-LLVKDONJSA-N 1 0 301.342 2.980 20 10 DFCDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000219069598 340501130 /nfs/dbraw/zinc/50/11/30/340501130.db2.gz OCVJJOWECVLJIR-WMLDXEAASA-N 1 0 308.491 2.879 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccsc2)c1O ZINC000230934754 340621380 /nfs/dbraw/zinc/62/13/80/340621380.db2.gz WMOMTIYAKQJTJW-LBPRGKRZSA-N 1 0 313.806 2.939 20 10 DFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccsc2)c1O ZINC000230934750 340621419 /nfs/dbraw/zinc/62/14/19/340621419.db2.gz WMOMTIYAKQJTJW-GFCCVEGCSA-N 1 0 313.806 2.939 20 10 DFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(CCCO)CC2)c1O ZINC000273023018 341632703 /nfs/dbraw/zinc/63/27/03/341632703.db2.gz SLBMANCZOLIEBF-UHFFFAOYSA-N 1 0 309.381 2.718 20 10 DFCDRO CC(C)n1nccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000279905127 500580510 /nfs/dbraw/zinc/58/05/10/500580510.db2.gz LNKLQSLVAKVKGU-UHFFFAOYSA-N 1 0 314.433 2.590 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@H+](C)CCc2nccs2)c1O ZINC000157913565 518284079 /nfs/dbraw/zinc/28/40/79/518284079.db2.gz CUYYXYIWUKUTCW-UHFFFAOYSA-N 1 0 308.378 2.865 20 10 DFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1O ZINC000367445730 518286039 /nfs/dbraw/zinc/28/60/39/518286039.db2.gz AJJSJKAOUZPTQN-QGZVFWFLSA-N 1 0 307.365 2.736 20 10 DFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(CCOC)C2)cc1 ZINC000268919696 520287062 /nfs/dbraw/zinc/28/70/62/520287062.db2.gz OOOXKEAXVQUEPM-WBVHZDCISA-N 1 0 305.466 2.514 20 10 DFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179936027 520676513 /nfs/dbraw/zinc/67/65/13/520676513.db2.gz LSIYGDOPBZRNHR-AWEZNQCLSA-N 1 0 320.433 2.529 20 10 DFCDRO CCN(CC)c1ccc(CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000269231890 520896188 /nfs/dbraw/zinc/89/61/88/520896188.db2.gz DLDGVWLZPRDLAS-UHFFFAOYSA-N 1 0 303.450 2.811 20 10 DFCDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268925609 520939913 /nfs/dbraw/zinc/93/99/13/520939913.db2.gz XXGGPNJUTNCDHD-KBXCAEBGSA-N 1 0 324.440 2.864 20 10 DFCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000158901378 521146989 /nfs/dbraw/zinc/14/69/89/521146989.db2.gz FKGPIJGOZUIKMK-UHFFFAOYSA-N 1 0 313.401 2.508 20 10 DFCDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000183050904 522295608 /nfs/dbraw/zinc/29/56/08/522295608.db2.gz RHEHUFXTAOTESM-HUUCEWRRSA-N 1 0 305.466 2.735 20 10 DFCDRO C[N@H+](CCC(=O)N1CCc2ccccc2C1)Cc1ccccc1O ZINC000189107612 522677445 /nfs/dbraw/zinc/67/74/45/522677445.db2.gz CVGCHNSWUGMKLS-UHFFFAOYSA-N 1 0 324.424 2.799 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(C)cc1O ZINC000366419191 522708344 /nfs/dbraw/zinc/70/83/44/522708344.db2.gz RJGSFJBQJZLYAK-LQKXBSAESA-N 1 0 302.418 2.751 20 10 DFCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(C)cc1O ZINC000366419196 522709880 /nfs/dbraw/zinc/70/98/80/522709880.db2.gz RJGSFJBQJZLYAK-VDERGJSUSA-N 1 0 302.418 2.751 20 10 DFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)cc1OC ZINC000188036451 522773762 /nfs/dbraw/zinc/77/37/62/522773762.db2.gz BKBJXPBMUFMXRN-SFHVURJKSA-N 1 0 323.433 2.782 20 10 DFCDRO C[N@H+](CC[C@H]1CCCO1)Cc1ccc(N2CCOCC2)cc1 ZINC000191660044 522939356 /nfs/dbraw/zinc/93/93/56/522939356.db2.gz PLUWUYNHDJOROI-GOSISDBHSA-N 1 0 304.434 2.524 20 10 DFCDRO CCn1cnnc1C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000364906984 523582282 /nfs/dbraw/zinc/58/22/82/523582282.db2.gz VBZNUIOCERFMCF-UHFFFAOYSA-N 1 0 300.406 2.692 20 10 DFCDRO CN1CCc2cc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)ccc21 ZINC000363504304 523997539 /nfs/dbraw/zinc/99/75/39/523997539.db2.gz HLWZYFXUXLKIBR-NXHRZFHOSA-N 1 0 300.446 2.972 20 10 DFCDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182465286 524103231 /nfs/dbraw/zinc/10/32/31/524103231.db2.gz DKXPHIGXSVLFOD-SGTLLEGYSA-N 1 0 317.385 2.794 20 10 DFCDRO Cc1cc(C(=O)N[C@@H](C[NH3+])CC(C)C)c(C)n1-c1ccccn1 ZINC000236603797 524125058 /nfs/dbraw/zinc/12/50/58/524125058.db2.gz UWKUQUBDYRMMSO-OAHLLOKOSA-N 1 0 314.433 2.592 20 10 DFCDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182465325 524167414 /nfs/dbraw/zinc/16/74/14/524167414.db2.gz DKXPHIGXSVLFOD-KPZWWZAWSA-N 1 0 317.385 2.794 20 10 DFCDRO C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)O1 ZINC000188569043 524669248 /nfs/dbraw/zinc/66/92/48/524669248.db2.gz XLMZZUJTCMJBAD-CRAIPNDOSA-N 1 0 304.434 2.523 20 10 DFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)c1 ZINC000182338249 524768968 /nfs/dbraw/zinc/76/89/68/524768968.db2.gz BBQDSHAYWROEDT-ZDUSSCGKSA-N 1 0 320.433 2.843 20 10 DFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(Cn3ccnn3)CC2)c1O ZINC000180781654 524863010 /nfs/dbraw/zinc/86/30/10/524863010.db2.gz OUPFIDSSPSFTIH-UHFFFAOYSA-N 1 0 320.824 2.858 20 10 DFCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1C ZINC000365147518 525320674 /nfs/dbraw/zinc/32/06/74/525320674.db2.gz CDMQHXLQWJWHAG-CVEARBPZSA-N 1 0 303.402 2.579 20 10 DFCDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162514694 525355628 /nfs/dbraw/zinc/35/56/28/525355628.db2.gz MXNSSQYBYZJVHK-HNNXBMFYSA-N 1 0 311.429 2.833 20 10 DFCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000180253355 525362492 /nfs/dbraw/zinc/36/24/92/525362492.db2.gz ODLYVKNMWPAOHO-KRWDZBQOSA-N 1 0 317.385 2.575 20 10 DFCDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(N2CCCCC2)cc1 ZINC000180491634 525398545 /nfs/dbraw/zinc/39/85/45/525398545.db2.gz LWXUJLQTOJDOTQ-QFBILLFUSA-N 1 0 317.477 2.658 20 10 DFCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(Br)ccc1O ZINC000189299799 525503844 /nfs/dbraw/zinc/50/38/44/525503844.db2.gz XRFVKVGFPTUMQK-SCVCMEIPSA-N 1 0 314.223 2.966 20 10 DFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000179891464 525642995 /nfs/dbraw/zinc/64/29/95/525642995.db2.gz GADRYMIITSQGKD-IUODEOHRSA-N 1 0 314.360 2.987 20 10 DFCDRO CC(C)(C)OC(=O)NCC1(C[NH2+]Cc2ccccc2O)CC1 ZINC000298548804 534876644 /nfs/dbraw/zinc/87/66/44/534876644.db2.gz ULOLLCAMEYZFTK-UHFFFAOYSA-N 1 0 306.406 2.787 20 10 DFCDRO Cc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000237139329 525954671 /nfs/dbraw/zinc/95/46/71/525954671.db2.gz TXAWOQFMKLHYEM-SFHVURJKSA-N 1 0 311.429 2.539 20 10 DFCDRO COc1cccc(C[NH2+][C@@H](CN(C)C)c2ccccc2)c1O ZINC000237231375 526030833 /nfs/dbraw/zinc/03/08/33/526030833.db2.gz HDCCECQALCRSAX-INIZCTEOSA-N 1 0 300.402 2.793 20 10 DFCDRO Cc1cc(Br)cc(C[NH2+]C(C)(C)CCO)c1O ZINC000182220634 526158844 /nfs/dbraw/zinc/15/88/44/526158844.db2.gz QMWZSPDOMTUHQX-UHFFFAOYSA-N 1 0 302.212 2.714 20 10 DFCDRO Oc1cc2c(cc1C[NH2+]CCc1ccc(F)c(F)c1)OCO2 ZINC000190281958 526336000 /nfs/dbraw/zinc/33/60/00/526336000.db2.gz WLIAEUMFCBAEBW-UHFFFAOYSA-N 1 0 307.296 2.731 20 10 DFCDRO Oc1cccc(Cl)c1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000130364259 526363787 /nfs/dbraw/zinc/36/37/87/526363787.db2.gz QQPZEFWTUHFQSA-ZDUSSCGKSA-N 1 0 324.852 2.636 20 10 DFCDRO [NH3+]C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000178710369 527202489 /nfs/dbraw/zinc/20/24/89/527202489.db2.gz BTIDVJVTDLJJOX-LJQANCHMSA-N 1 0 323.440 2.646 20 10 DFCDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000264942640 527446946 /nfs/dbraw/zinc/44/69/46/527446946.db2.gz HBDPBHSUGZSLPW-CYBMUJFWSA-N 1 0 304.413 2.823 20 10 DFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@@]12CCCO2 ZINC000272681514 535508940 /nfs/dbraw/zinc/50/89/40/535508940.db2.gz NAUDYXSYEWKZOW-KSZLIROESA-N 1 0 322.424 2.708 20 10 DFCDRO CCOC1CC(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000285921498 535751746 /nfs/dbraw/zinc/75/17/46/535751746.db2.gz IBLLZWKXLPIMND-UHFFFAOYSA-N 1 0 318.461 2.770 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000284222458 535765379 /nfs/dbraw/zinc/76/53/79/535765379.db2.gz CWDITKUWEVEAJF-ZVZYQTTQSA-N 1 0 322.493 2.951 20 10 DFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000286875332 535765800 /nfs/dbraw/zinc/76/58/00/535765800.db2.gz CAVNQLHMMKCFRF-GJZGRUSLSA-N 1 0 324.490 2.618 20 10 DFCDRO CC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(C)cc1O ZINC000287249628 535913048 /nfs/dbraw/zinc/91/30/48/535913048.db2.gz ZLAZETMNPOJKFX-HIFRSBDPSA-N 1 0 311.447 2.566 20 10 DFCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000822259303 599397749 /nfs/dbraw/zinc/39/77/49/599397749.db2.gz SXZVPKAJRBVGPX-LBPRGKRZSA-N 1 0 309.373 2.732 20 10 DFCDRO