smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc2c(C)cc(C)nc2n1 ZINC000072346821 205515794 /nfs/dbraw/zinc/51/57/94/205515794.db2.gz PEJNTPYAUIKCCP-UHFFFAOYSA-N 1 2 359.433 3.797 40 0 FHABLO COC(=O)c1ccccc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219849731 132274856 /nfs/dbraw/zinc/27/48/56/132274856.db2.gz JGLLIYHQHHROJK-UHFFFAOYSA-N 1 2 352.434 3.637 40 0 FHABLO COC(=O)c1cccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1C ZINC000219856360 132274976 /nfs/dbraw/zinc/27/49/76/132274976.db2.gz CQVMIYOGJZVPIJ-UHFFFAOYSA-N 1 2 366.461 3.945 40 0 FHABLO COC(=O)c1ccc2c(c1)CCN(c1cc(C)[nH+]c(Nc3ccccc3)n1)C2 ZINC000329048457 132373072 /nfs/dbraw/zinc/37/30/72/132373072.db2.gz UKHGRJGUYAEICZ-UHFFFAOYSA-N 1 2 374.444 3.878 40 0 FHABLO CC(C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc[nH+]1 ZINC000329066905 132373116 /nfs/dbraw/zinc/37/31/16/132373116.db2.gz YEMJHTYPQLUKQQ-UHFFFAOYSA-N 1 2 352.360 3.758 40 0 FHABLO CC(C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]cn1 ZINC000329066905 132373117 /nfs/dbraw/zinc/37/31/17/132373117.db2.gz YEMJHTYPQLUKQQ-UHFFFAOYSA-N 1 2 352.360 3.758 40 0 FHABLO COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020048719 525107663 /nfs/dbraw/zinc/10/76/63/525107663.db2.gz NQMFIAPAAAUCME-HNNXBMFYSA-N 1 2 367.474 3.678 40 0 FHABLO COc1ccccc1CCCNC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219860990 537030595 /nfs/dbraw/zinc/03/05/95/537030595.db2.gz QNVLLZUPAQYGAL-UHFFFAOYSA-N 1 2 366.505 3.969 40 0 FHABLO CCN(C)c1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072212754 570527978 /nfs/dbraw/zinc/52/79/78/570527978.db2.gz WLKLOTSUTGXEEV-IBGZPJMESA-N 1 2 373.522 3.762 40 0 FHABLO CCCNc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213203 570528571 /nfs/dbraw/zinc/52/85/71/570528571.db2.gz RQJOYPCGCTXJIQ-SFHVURJKSA-N 1 2 359.495 3.738 40 0 FHABLO Cc1[nH+]c(N2CCCC2)ccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072218960 570534407 /nfs/dbraw/zinc/53/44/07/570534407.db2.gz RCVCOOVMQDQOOF-UHFFFAOYSA-N 1 2 361.486 3.868 40 0 FHABLO CCCOc1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1Cc1ncccc13)OCO2 ZINC000012222102 570729495 /nfs/dbraw/zinc/72/94/95/570729495.db2.gz XTBLWILFXPGAGI-MAUKXSAKSA-N 1 2 352.434 3.861 40 0 FHABLO CCCOc1cc2c(cc1C[N@@H+]1[C@@H]3CC[C@H]1Cc1ncccc13)OCO2 ZINC000012222102 570729497 /nfs/dbraw/zinc/72/94/97/570729497.db2.gz XTBLWILFXPGAGI-MAUKXSAKSA-N 1 2 352.434 3.861 40 0 FHABLO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000012255316 570731289 /nfs/dbraw/zinc/73/12/89/570731289.db2.gz ZLOYVLVSFTVJIM-FERCGXDMSA-N 1 2 362.477 3.945 40 0 FHABLO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000012255316 570731293 /nfs/dbraw/zinc/73/12/93/570731293.db2.gz ZLOYVLVSFTVJIM-FERCGXDMSA-N 1 2 362.477 3.945 40 0 FHABLO CC(C)Oc1ccc(-c2csc(NC(=O)[C@@H](C)n3cc[nH+]c3)n2)cc1 ZINC000019450722 570889272 /nfs/dbraw/zinc/88/92/72/570889272.db2.gz ACLHBWRPOGVGSH-CYBMUJFWSA-N 1 2 356.451 3.994 40 0 FHABLO C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)O3)cs1)n1cc[nH+]c1 ZINC000019498227 570890295 /nfs/dbraw/zinc/89/02/95/570890295.db2.gz FDKCUVZOXFDLCT-NEPJUHHUSA-N 1 2 354.435 3.530 40 0 FHABLO O=C(C[NH+]1CCC(COc2ccc(Cl)cc2)CC1)Nc1nccs1 ZINC000019657781 570896688 /nfs/dbraw/zinc/89/66/88/570896688.db2.gz ZAMBWXZCORDNAK-UHFFFAOYSA-N 1 2 365.886 3.526 40 0 FHABLO C[NH+](C)[C@H](C(=O)Nc1nnc(C2CCCCC2)s1)c1ccc(F)cc1 ZINC000019661331 570897417 /nfs/dbraw/zinc/89/74/17/570897417.db2.gz AYPBASVUBGWVDU-HNNXBMFYSA-N 1 2 362.474 3.966 40 0 FHABLO Cc1nc(-c2cccc(NC(=S)NCCCn3cc[nH+]c3)c2)cs1 ZINC000225180656 571019987 /nfs/dbraw/zinc/01/99/87/571019987.db2.gz DOEWFUPSYFRGNA-UHFFFAOYSA-N 1 2 357.508 3.692 40 0 FHABLO C[C@@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000031861142 571055976 /nfs/dbraw/zinc/05/59/76/571055976.db2.gz JKQJZONEAFJYTO-UBWHGVKJSA-N 1 2 353.418 3.703 40 0 FHABLO CNc1nc(Nc2ccc(Br)cc2F)cc(-c2ccccc2)[nH+]1 ZINC000328955147 571104689 /nfs/dbraw/zinc/10/46/89/571104689.db2.gz AAIGNTKQBGRCRD-UHFFFAOYSA-N 1 2 373.229 3.674 40 0 FHABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)ccc1F ZINC000328973134 571105602 /nfs/dbraw/zinc/10/56/02/571105602.db2.gz DZCGAYJMXDTYDH-UHFFFAOYSA-N 1 2 352.413 3.551 40 0 FHABLO CCOc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)cc1 ZINC000329015969 571107409 /nfs/dbraw/zinc/10/74/09/571107409.db2.gz NEOMNDREECXWLH-HNNXBMFYSA-N 1 2 364.449 3.501 40 0 FHABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)cc1C(F)(F)F ZINC000329050179 571108642 /nfs/dbraw/zinc/10/86/42/571108642.db2.gz UTNVJRIQHNTTKF-UHFFFAOYSA-N 1 2 366.387 3.789 40 0 FHABLO COc1cccc(C[N@H+]2Cc3cccn3[C@H](COCc3ccccn3)C2)c1 ZINC000247922756 571126105 /nfs/dbraw/zinc/12/61/05/571126105.db2.gz YGEZRDGYKJVVPS-NRFANRHFSA-N 1 2 363.461 3.665 40 0 FHABLO COc1cccc(C[N@@H+]2Cc3cccn3[C@H](COCc3ccccn3)C2)c1 ZINC000247922756 571126107 /nfs/dbraw/zinc/12/61/07/571126107.db2.gz YGEZRDGYKJVVPS-NRFANRHFSA-N 1 2 363.461 3.665 40 0 FHABLO Cc1cc(C)cc(C[N@H+]2Cc3cncn3[C@H](COCC3CCOCC3)C2)c1 ZINC000247913037 571126182 /nfs/dbraw/zinc/12/61/82/571126182.db2.gz LQFZEOCZDTZSJS-QFIPXVFZSA-N 1 2 369.509 3.500 40 0 FHABLO Cc1cc(C)cc(C[N@@H+]2Cc3cncn3[C@H](COCC3CCOCC3)C2)c1 ZINC000247913037 571126183 /nfs/dbraw/zinc/12/61/83/571126183.db2.gz LQFZEOCZDTZSJS-QFIPXVFZSA-N 1 2 369.509 3.500 40 0 FHABLO Cc1cc(C)cc(CN2Cc3c[nH+]cn3[C@H](COCC3CCOCC3)C2)c1 ZINC000247913037 571126187 /nfs/dbraw/zinc/12/61/87/571126187.db2.gz LQFZEOCZDTZSJS-QFIPXVFZSA-N 1 2 369.509 3.500 40 0 FHABLO COc1ccccc1C[N@H+]1Cc2cccn2[C@H](COCc2ccccn2)C1 ZINC000248131351 571127819 /nfs/dbraw/zinc/12/78/19/571127819.db2.gz KMYTXKBHPOMDNQ-NRFANRHFSA-N 1 2 363.461 3.665 40 0 FHABLO COc1ccccc1C[N@@H+]1Cc2cccn2[C@H](COCc2ccccn2)C1 ZINC000248131351 571127821 /nfs/dbraw/zinc/12/78/21/571127821.db2.gz KMYTXKBHPOMDNQ-NRFANRHFSA-N 1 2 363.461 3.665 40 0 FHABLO Clc1ccccc1Cc1cccc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)n1 ZINC000257272419 571156694 /nfs/dbraw/zinc/15/66/94/571156694.db2.gz NCIMMEFRADRUCQ-LJQANCHMSA-N 1 2 368.868 3.622 40 0 FHABLO Fc1ccc(-c2cnc3nccc([C@H]4CCN(c5cccc[nH+]5)C4)n23)cc1 ZINC000257313333 571161066 /nfs/dbraw/zinc/16/10/66/571161066.db2.gz URXRMLBNMOFDIS-INIZCTEOSA-N 1 2 359.408 3.924 40 0 FHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257321877 571161698 /nfs/dbraw/zinc/16/16/98/571161698.db2.gz WDQOYKFWURLTRB-NRFANRHFSA-N 1 2 366.440 3.503 40 0 FHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257321877 571161700 /nfs/dbraw/zinc/16/17/00/571161700.db2.gz WDQOYKFWURLTRB-NRFANRHFSA-N 1 2 366.440 3.503 40 0 FHABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072360101 571184085 /nfs/dbraw/zinc/18/40/85/571184085.db2.gz CKSAYASFOWJGCB-INIZCTEOSA-N 1 2 352.467 3.717 40 0 FHABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072360101 571184086 /nfs/dbraw/zinc/18/40/86/571184086.db2.gz CKSAYASFOWJGCB-INIZCTEOSA-N 1 2 352.467 3.717 40 0 FHABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)Nc2ccccc2)cc[nH+]1 ZINC000072360784 571184378 /nfs/dbraw/zinc/18/43/78/571184378.db2.gz FTKDGZPVVFKSGT-KRWDZBQOSA-N 1 2 362.437 3.813 40 0 FHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2scnc2C)n1 ZINC000072379039 571187178 /nfs/dbraw/zinc/18/71/78/571187178.db2.gz BIQFWBLYLOYAOW-OAHLLOKOSA-N 1 2 367.478 3.572 40 0 FHABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000072378942 571187192 /nfs/dbraw/zinc/18/71/92/571187192.db2.gz OJOHDGUVSBQGID-QGZVFWFLSA-N 1 2 352.482 3.897 40 0 FHABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccc(C)n2)CCO3)cc1 ZINC000585103237 571223535 /nfs/dbraw/zinc/22/35/35/571223535.db2.gz AJBWWCWSUOVSTO-NRFANRHFSA-N 1 2 352.478 3.649 40 0 FHABLO Cc1[nH+]cc(-c2nccnc2CC2CCN(c3ccc(F)cc3)CC2)n1C ZINC000585179614 571237871 /nfs/dbraw/zinc/23/78/71/571237871.db2.gz JPUVOOWNWKWTIV-UHFFFAOYSA-N 1 2 365.456 3.784 40 0 FHABLO Fc1ccccc1C[N@@H+](Cc1ccnn1[C@H]1CCCCO1)C[C@H]1CCCO1 ZINC000247540861 571290783 /nfs/dbraw/zinc/29/07/83/571290783.db2.gz SDBCIURBGJXRHL-TZIWHRDSSA-N 1 2 373.472 3.903 40 0 FHABLO Fc1ccccc1C[N@H+](Cc1ccnn1[C@H]1CCCCO1)C[C@H]1CCCO1 ZINC000247540861 571290784 /nfs/dbraw/zinc/29/07/84/571290784.db2.gz SDBCIURBGJXRHL-TZIWHRDSSA-N 1 2 373.472 3.903 40 0 FHABLO Cc1ccc(CSCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020237757 571304970 /nfs/dbraw/zinc/30/49/70/571304970.db2.gz IHRXXVNIEWJVQW-UHFFFAOYSA-N 1 2 354.519 3.573 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000257226035 571321801 /nfs/dbraw/zinc/32/18/01/571321801.db2.gz FIWDRBRMLJFKTK-CQSZACIVSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000257226035 571321802 /nfs/dbraw/zinc/32/18/02/571321802.db2.gz FIWDRBRMLJFKTK-CQSZACIVSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000257226035 571321803 /nfs/dbraw/zinc/32/18/03/571321803.db2.gz FIWDRBRMLJFKTK-CQSZACIVSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257226035 571321804 /nfs/dbraw/zinc/32/18/04/571321804.db2.gz FIWDRBRMLJFKTK-CQSZACIVSA-N 1 2 353.401 3.511 40 0 FHABLO CC(C)(C)c1ccc(OCc2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)cc1 ZINC000095534918 571331383 /nfs/dbraw/zinc/33/13/83/571331383.db2.gz CNDXPFFCJWKQOP-GOSISDBHSA-N 1 2 350.466 3.924 40 0 FHABLO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000044844295 205111092 /nfs/dbraw/zinc/11/10/92/205111092.db2.gz BWVFXZULGWDHKJ-FQEVSTJZSA-N 1 2 363.461 3.963 40 0 FHABLO Fc1ccccc1C[N@@H+](Cc1ccnn1[C@@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000057811063 205246031 /nfs/dbraw/zinc/24/60/31/205246031.db2.gz SDBCIURBGJXRHL-FPOVZHCZSA-N 1 2 373.472 3.903 40 0 FHABLO Fc1ccccc1C[N@H+](Cc1ccnn1[C@@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000057811063 205246035 /nfs/dbraw/zinc/24/60/35/205246035.db2.gz SDBCIURBGJXRHL-FPOVZHCZSA-N 1 2 373.472 3.903 40 0 FHABLO O=C(CCc1ccccc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000062093009 205291647 /nfs/dbraw/zinc/29/16/47/205291647.db2.gz BESCHNFEEFDLIO-RMKNXTFCSA-N 1 2 352.453 3.616 40 0 FHABLO O=C(NCCOc1ccc2ccccc2c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000117124562 206101502 /nfs/dbraw/zinc/10/15/02/206101502.db2.gz VUPPTCPJLYRKJL-UHFFFAOYSA-N 1 2 371.440 3.893 40 0 FHABLO CC(C)n1c2ccccc2[nH+]c1N1CCN(C(=O)c2cccs2)CC1 ZINC000001379875 206149814 /nfs/dbraw/zinc/14/98/14/206149814.db2.gz MHHTWKBDNUUNRL-UHFFFAOYSA-N 1 2 354.479 3.641 40 0 FHABLO CCc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000004966647 206186791 /nfs/dbraw/zinc/18/67/91/206186791.db2.gz PRJDTVMGGINLQI-UHFFFAOYSA-N 1 2 350.462 3.782 40 0 FHABLO Cc1ccc([C@@H](C2Sc3ncnn3C2=O)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000022609272 206389144 /nfs/dbraw/zinc/38/91/44/206389144.db2.gz QSFMLTRNMJEJIR-DZKIICNBSA-N 1 2 356.495 3.872 40 0 FHABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)CCc1cccs1)C2 ZINC000257246692 206608500 /nfs/dbraw/zinc/60/85/00/206608500.db2.gz IVJMQNXAVMQAFQ-SFHVURJKSA-N 1 2 351.475 3.969 40 0 FHABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)[nH+]1 ZINC000257325021 206624698 /nfs/dbraw/zinc/62/46/98/206624698.db2.gz WRCQOCFCAVFCAX-KRWDZBQOSA-N 1 2 350.466 3.846 40 0 FHABLO Cc1nc(N2CCC[C@@H](c3ncc(Cc4ccccc4F)o3)C2)cc[nH+]1 ZINC000257234476 132295306 /nfs/dbraw/zinc/29/53/06/132295306.db2.gz GTQUBFFJHGDCEZ-MRXNPFEDSA-N 1 2 352.413 3.887 40 0 FHABLO Cc1cccc(N2CC[NH+]([C@@H](c3nnnn3C(C)(C)C)C(C)C)CC2)c1C ZINC000057669692 136129773 /nfs/dbraw/zinc/12/97/73/136129773.db2.gz OXMUYDMVFVWFMZ-LJQANCHMSA-N 1 2 370.545 3.564 40 0 FHABLO Cc1ccc(C)c(N2CC[NH+](CC(=O)Nc3cc(F)ccc3C)CC2)c1 ZINC000057720251 136129960 /nfs/dbraw/zinc/12/99/60/136129960.db2.gz XJHYILSMJKIKKW-UHFFFAOYSA-N 1 2 355.457 3.512 40 0 FHABLO Cc1ccc(SCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020494559 525652592 /nfs/dbraw/zinc/65/25/92/525652592.db2.gz ANANMAMWABLHRC-UHFFFAOYSA-N 1 2 351.475 3.979 40 0 FHABLO COc1cccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)c1 ZINC000096112092 560061039 /nfs/dbraw/zinc/06/10/39/560061039.db2.gz LMYLYIPDWSHCIX-APWZRJJASA-N 1 2 356.397 3.576 40 0 biogenic,in-vitro FHABLO COc1cccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)c1 ZINC000096112092 560061041 /nfs/dbraw/zinc/06/10/41/560061041.db2.gz LMYLYIPDWSHCIX-APWZRJJASA-N 1 2 356.397 3.576 40 0 biogenic,in-vitro FHABLO c1cc(C[N@@H+]2CCC[C@H]2c2nnn3cc(-c4ccncc4)ccc23)ccn1 ZINC000096267886 570479996 /nfs/dbraw/zinc/47/99/96/570479996.db2.gz APCLDXAWWVPWCO-IBGZPJMESA-N 1 2 356.433 3.523 40 0 FHABLO c1cc(C[N@H+]2CCC[C@H]2c2nnn3cc(-c4ccncc4)ccc23)ccn1 ZINC000096267886 570479998 /nfs/dbraw/zinc/47/99/98/570479998.db2.gz APCLDXAWWVPWCO-IBGZPJMESA-N 1 2 356.433 3.523 40 0 FHABLO CCN(C)c1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072212755 570528155 /nfs/dbraw/zinc/52/81/55/570528155.db2.gz WLKLOTSUTGXEEV-LJQANCHMSA-N 1 2 373.522 3.762 40 0 FHABLO CCN(CC)c1[nH+]cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212905 570528486 /nfs/dbraw/zinc/52/84/86/570528486.db2.gz IAFRVDORRVXJBU-IBGZPJMESA-N 1 2 373.522 3.762 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc[nH+]c2NC2CC2)cc1 ZINC000072213757 570529288 /nfs/dbraw/zinc/52/92/88/570529288.db2.gz LNCJATOZXPSULP-IBGZPJMESA-N 1 2 371.506 3.880 40 0 FHABLO Cc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]c1N1CCOCC1 ZINC000072219376 570534323 /nfs/dbraw/zinc/53/43/23/570534323.db2.gz YHIRVGCMNKANKL-FQEVSTJZSA-N 1 2 365.477 3.594 40 0 FHABLO C[N@H+](Cc1[nH]nc2c1CCCC2)Cc1ccccc1OCc1ccccn1 ZINC000012116814 570719804 /nfs/dbraw/zinc/71/98/04/570719804.db2.gz HTMFEORTXXMZQG-UHFFFAOYSA-N 1 2 362.477 3.895 40 0 FHABLO C[N@@H+](Cc1[nH]nc2c1CCCC2)Cc1ccccc1OCc1ccccn1 ZINC000012116814 570719806 /nfs/dbraw/zinc/71/98/06/570719806.db2.gz HTMFEORTXXMZQG-UHFFFAOYSA-N 1 2 362.477 3.895 40 0 FHABLO COc1cc(OC)c([C@@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1OC ZINC000012188531 570725306 /nfs/dbraw/zinc/72/53/06/570725306.db2.gz KHFHNYOSSMLERM-LJQANCHMSA-N 1 2 373.840 3.552 40 0 FHABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)[nH]n2c1=O ZINC000012276371 570731804 /nfs/dbraw/zinc/73/18/04/570731804.db2.gz LEFNFKYOZNCZSY-CQSZACIVSA-N 1 2 372.419 3.573 40 0 FHABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)[nH]n2c1=O ZINC000012276371 570731807 /nfs/dbraw/zinc/73/18/07/570731807.db2.gz LEFNFKYOZNCZSY-CQSZACIVSA-N 1 2 372.419 3.573 40 0 FHABLO Cc1ccc(-c2nc(NCC[NH+]3CCOCC3)ncc2-c2ccsc2)o1 ZINC000019216695 570882458 /nfs/dbraw/zinc/88/24/58/570882458.db2.gz USHZVSQUBDBFGI-UHFFFAOYSA-N 1 2 370.478 3.518 40 0 FHABLO O=C(Cc1ccccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225438570 571035389 /nfs/dbraw/zinc/03/53/89/571035389.db2.gz ADXHKIVDQCHTEA-RMKNXTFCSA-N 1 2 354.881 3.740 40 0 FHABLO c1coc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)c1 ZINC000306137023 571040182 /nfs/dbraw/zinc/04/01/82/571040182.db2.gz QJGUYWSCZQYZIL-FQEVSTJZSA-N 1 2 360.417 3.563 40 0 FHABLO c1coc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)c1 ZINC000306137023 571040188 /nfs/dbraw/zinc/04/01/88/571040188.db2.gz QJGUYWSCZQYZIL-FQEVSTJZSA-N 1 2 360.417 3.563 40 0 FHABLO O=C(NCCCn1cc[nH+]c1)c1cccc(OCc2ccccc2Cl)c1 ZINC000225778900 571064891 /nfs/dbraw/zinc/06/48/91/571064891.db2.gz CKZSWVGFLXQFMA-UHFFFAOYSA-N 1 2 369.852 3.936 40 0 FHABLO C[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328960556 571104986 /nfs/dbraw/zinc/10/49/86/571104986.db2.gz AZCALFDKUPFRJP-CYBMUJFWSA-N 1 2 354.841 3.755 40 0 FHABLO CC(C)(C)Nc1nc(NCc2cccc(F)c2)cc(-c2ccncc2)[nH+]1 ZINC000328964900 571105382 /nfs/dbraw/zinc/10/53/82/571105382.db2.gz BXZAYHRBIDOWJH-UHFFFAOYSA-N 1 2 351.429 3.922 40 0 FHABLO CC[C@H](C)Nc1nc(NCc2cccc(OC)c2)cc(-c2ccccc2)[nH+]1 ZINC000328974334 571105647 /nfs/dbraw/zinc/10/56/47/571105647.db2.gz FFRVAZJYMXSXLW-INIZCTEOSA-N 1 2 362.477 3.819 40 0 FHABLO c1ccc(-c2cc(NCCc3ccccn3)nc(NC3CCCCC3)[nH+]2)cc1 ZINC000328978768 571105968 /nfs/dbraw/zinc/10/59/68/571105968.db2.gz GALWJVVRCVVPOC-UHFFFAOYSA-N 1 2 373.504 3.782 40 0 FHABLO CNc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329064212 571109427 /nfs/dbraw/zinc/10/94/27/571109427.db2.gz XHVFWGUGCFICEC-UHFFFAOYSA-N 1 2 373.229 3.674 40 0 FHABLO Cc1c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)noc1-c1ccccc1F ZINC000279025258 571144645 /nfs/dbraw/zinc/14/46/45/571144645.db2.gz WDSABFGTYXNHET-CYBMUJFWSA-N 1 2 369.400 3.924 40 0 FHABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)s1 ZINC000257210808 571150540 /nfs/dbraw/zinc/15/05/40/571150540.db2.gz BWHSVDWBVHMGSX-GOSISDBHSA-N 1 2 367.478 3.559 40 0 FHABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)s1 ZINC000257210808 571150543 /nfs/dbraw/zinc/15/05/43/571150543.db2.gz BWHSVDWBVHMGSX-GOSISDBHSA-N 1 2 367.478 3.559 40 0 FHABLO Cc1cccc(Nc2cc([C@@H]3CCCC[N@@H+]3Cc3cc[nH]n3)nc(C)n2)n1 ZINC000257234160 571152718 /nfs/dbraw/zinc/15/27/18/571152718.db2.gz GSKOGJLPSTWMHT-SFHVURJKSA-N 1 2 363.469 3.682 40 0 FHABLO Cc1cccc(Nc2cc([C@@H]3CCCC[N@H+]3Cc3cc[nH]n3)nc(C)n2)n1 ZINC000257234160 571152720 /nfs/dbraw/zinc/15/27/20/571152720.db2.gz GSKOGJLPSTWMHT-SFHVURJKSA-N 1 2 363.469 3.682 40 0 FHABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2cc(C)cs2)c1 ZINC000257250008 571154094 /nfs/dbraw/zinc/15/40/94/571154094.db2.gz JKPXXYWIDXHSAT-MRXNPFEDSA-N 1 2 353.447 3.659 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@@H+]2Cc2cnccn2)n1 ZINC000257250668 571154490 /nfs/dbraw/zinc/15/44/90/571154490.db2.gz JNMJQBZQNLQJDR-SFHVURJKSA-N 1 2 364.453 3.574 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@H+]2Cc2cnccn2)n1 ZINC000257250668 571154492 /nfs/dbraw/zinc/15/44/92/571154492.db2.gz JNMJQBZQNLQJDR-SFHVURJKSA-N 1 2 364.453 3.574 40 0 FHABLO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cscn3)C2)s1 ZINC000257265788 571156091 /nfs/dbraw/zinc/15/60/91/571156091.db2.gz MAGDMIWAYXGHEG-ZDUSSCGKSA-N 1 2 372.523 3.821 40 0 FHABLO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cscn3)C2)s1 ZINC000257265788 571156095 /nfs/dbraw/zinc/15/60/95/571156095.db2.gz MAGDMIWAYXGHEG-ZDUSSCGKSA-N 1 2 372.523 3.821 40 0 FHABLO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1Oc1ccccc1 ZINC000257268041 571156268 /nfs/dbraw/zinc/15/62/68/571156268.db2.gz MJZHKCKUPCMYIY-HSZRJFAPSA-N 1 2 373.456 3.851 40 0 FHABLO NC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000257268041 571156271 /nfs/dbraw/zinc/15/62/71/571156271.db2.gz MJZHKCKUPCMYIY-HSZRJFAPSA-N 1 2 373.456 3.851 40 0 FHABLO COc1ccc(Cc2cnc([C@H]3CCCN3c3cc(C)[nH+]cn3)o2)cc1 ZINC000257328798 571162562 /nfs/dbraw/zinc/16/25/62/571162562.db2.gz XHEAZRKZFAMJQS-GOSISDBHSA-N 1 2 350.422 3.714 40 0 FHABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2C ZINC000261361659 571164551 /nfs/dbraw/zinc/16/45/51/571164551.db2.gz AKFIMQOLDYTQMW-CYBMUJFWSA-O 1 2 373.502 3.694 40 0 FHABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072355384 571182502 /nfs/dbraw/zinc/18/25/02/571182502.db2.gz IBYWOHYVXZCBMP-QGZVFWFLSA-N 1 2 367.497 3.682 40 0 FHABLO Fc1ccccc1Oc1nccnc1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000072363000 571184756 /nfs/dbraw/zinc/18/47/56/571184756.db2.gz DFQODURMYVIXHW-UHFFFAOYSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccccc1Oc1nccnc1C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000072363000 571184757 /nfs/dbraw/zinc/18/47/57/571184757.db2.gz DFQODURMYVIXHW-UHFFFAOYSA-N 1 2 353.401 3.511 40 0 FHABLO Cn1ccnc1C[N@@H+]1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072362775 571184840 /nfs/dbraw/zinc/18/48/40/571184840.db2.gz GNEZQLAXLKTOMY-HNNXBMFYSA-N 1 2 367.428 3.521 40 0 FHABLO Cn1ccnc1C[N@H+]1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072362775 571184842 /nfs/dbraw/zinc/18/48/42/571184842.db2.gz GNEZQLAXLKTOMY-HNNXBMFYSA-N 1 2 367.428 3.521 40 0 FHABLO c1csc(Nc2nccc([C@@H]3CCCC[N@H+]3Cc3ccccn3)n2)n1 ZINC000072377658 571186438 /nfs/dbraw/zinc/18/64/38/571186438.db2.gz YCIDCIHRGGGLLO-INIZCTEOSA-N 1 2 352.467 3.799 40 0 FHABLO c1csc(Nc2nccc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)n2)n1 ZINC000072377658 571186440 /nfs/dbraw/zinc/18/64/40/571186440.db2.gz YCIDCIHRGGGLLO-INIZCTEOSA-N 1 2 352.467 3.799 40 0 FHABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384041 571189018 /nfs/dbraw/zinc/18/90/18/571189018.db2.gz YDYPOBABOKEVJU-LJQANCHMSA-N 1 2 367.428 3.787 40 0 FHABLO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384041 571189020 /nfs/dbraw/zinc/18/90/20/571189020.db2.gz YDYPOBABOKEVJU-LJQANCHMSA-N 1 2 367.428 3.787 40 0 FHABLO CCn1cc[nH+]c1CN1CCC[C@@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384466 571189278 /nfs/dbraw/zinc/18/92/78/571189278.db2.gz BIJCXASHCJAXAF-GOSISDBHSA-N 1 2 367.428 3.962 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306130690 571213922 /nfs/dbraw/zinc/21/39/22/571213922.db2.gz JNAYRQDIYAATRT-PKOBYXMFSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306130690 571213923 /nfs/dbraw/zinc/21/39/23/571213923.db2.gz JNAYRQDIYAATRT-PKOBYXMFSA-N 1 2 371.483 3.763 40 0 FHABLO COc1cc(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)cc(OC)c1OC ZINC000019291054 571323466 /nfs/dbraw/zinc/32/34/66/571323466.db2.gz VVLTXXOMVKPYMH-KRWDZBQOSA-N 1 2 359.470 3.563 40 0 FHABLO COc1cc(C[N@H+]2CCCCC[C@H]2c2ccn(C)n2)cc(OC)c1OC ZINC000019291054 571323467 /nfs/dbraw/zinc/32/34/67/571323467.db2.gz VVLTXXOMVKPYMH-KRWDZBQOSA-N 1 2 359.470 3.563 40 0 FHABLO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000004966671 204181367 /nfs/dbraw/zinc/18/13/67/204181367.db2.gz RMJWPPXTBVYPGO-UHFFFAOYSA-N 1 2 366.461 3.537 40 0 FHABLO Cc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000038229598 205040230 /nfs/dbraw/zinc/04/02/30/205040230.db2.gz YZSMVHZWNGRBJE-UHFFFAOYSA-N 1 2 369.534 3.622 40 0 FHABLO Cc1ccc(CSCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000038837300 205042824 /nfs/dbraw/zinc/04/28/24/205042824.db2.gz ZDFHTACYTBYAHB-UHFFFAOYSA-N 1 2 365.502 3.903 40 0 FHABLO O=C(CCSCc1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000038757089 205042500 /nfs/dbraw/zinc/04/25/00/205042500.db2.gz JYPAPRNXCQKWIZ-UHFFFAOYSA-N 1 2 351.475 3.812 40 0 FHABLO COc1ccc([C@H](c2nnnn2C2CCCC2)[NH+]2CCC(C)CC2)cc1 ZINC000004375676 206175914 /nfs/dbraw/zinc/17/59/14/206175914.db2.gz NQUWDWKVYGPVAA-LJQANCHMSA-N 1 2 355.486 3.618 40 0 FHABLO c1[nH]c2c([nH+]1)C[C@@H](c1nc(-c3ccccc3)no1)N(Cc1ccccc1)C2 ZINC000015675508 206316304 /nfs/dbraw/zinc/31/63/04/206316304.db2.gz PTEWLDPZLFUYRC-IBGZPJMESA-N 1 2 357.417 3.759 40 0 biogenic,in-vitro FHABLO Cc1ccc([C@H](c2nnnn2C(C)(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020121075 206329962 /nfs/dbraw/zinc/32/99/62/206329962.db2.gz CBUXLBWPDJERIO-HXUWFJFHSA-N 1 2 361.493 3.884 40 0 FHABLO Cc1ccc([C@H](c2nnnn2C(C)(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020121075 206329969 /nfs/dbraw/zinc/32/99/69/206329969.db2.gz CBUXLBWPDJERIO-HXUWFJFHSA-N 1 2 361.493 3.884 40 0 FHABLO Brc1cccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000217498108 206361874 /nfs/dbraw/zinc/36/18/74/206361874.db2.gz SNDQYBCLBQUDMM-SFHVURJKSA-N 1 2 362.267 3.729 40 0 FHABLO Brc1cccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000217498108 206361879 /nfs/dbraw/zinc/36/18/79/206361879.db2.gz SNDQYBCLBQUDMM-SFHVURJKSA-N 1 2 362.267 3.729 40 0 FHABLO Brc1cccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000217498189 206363197 /nfs/dbraw/zinc/36/31/97/206363197.db2.gz SNDQYBCLBQUDMM-GOSISDBHSA-N 1 2 362.267 3.729 40 0 FHABLO Brc1cccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000217498189 206363202 /nfs/dbraw/zinc/36/32/02/206363202.db2.gz SNDQYBCLBQUDMM-GOSISDBHSA-N 1 2 362.267 3.729 40 0 FHABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]cn1)C2 ZINC000329025657 132372768 /nfs/dbraw/zinc/37/27/68/132372768.db2.gz PHIPSOUBXJSABR-OAHLLOKOSA-N 1 2 352.482 3.837 40 0 FHABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc[nH+]1)C2 ZINC000329025657 132372769 /nfs/dbraw/zinc/37/27/69/132372769.db2.gz PHIPSOUBXJSABR-OAHLLOKOSA-N 1 2 352.482 3.837 40 0 FHABLO CCC(C)(C)n1nnnc1[C@@H](CC(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669930 136129875 /nfs/dbraw/zinc/12/98/75/136129875.db2.gz XCONHBBLZBHMLH-LJQANCHMSA-N 1 2 370.545 3.728 40 0 FHABLO CCCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669755 136129885 /nfs/dbraw/zinc/12/98/85/136129885.db2.gz RSHLXLHMWJTULD-GOSISDBHSA-N 1 2 374.508 3.621 40 0 FHABLO Cc1ccc(N2CC[NH+](CC(=O)Nc3cc(F)ccc3C)CC2)c(C)c1 ZINC000057720255 136130069 /nfs/dbraw/zinc/13/00/69/136130069.db2.gz WZXRGPQXEPJDLR-UHFFFAOYSA-N 1 2 355.457 3.512 40 0 FHABLO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]cn1)C2 ZINC000329047203 535325884 /nfs/dbraw/zinc/32/58/84/535325884.db2.gz UFLZIJSOHAEUIB-UHFFFAOYSA-N 1 2 374.488 3.879 40 0 FHABLO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc[nH+]1)C2 ZINC000329047203 535325889 /nfs/dbraw/zinc/32/58/89/535325889.db2.gz UFLZIJSOHAEUIB-UHFFFAOYSA-N 1 2 374.488 3.879 40 0 FHABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000012116345 570719727 /nfs/dbraw/zinc/71/97/27/570719727.db2.gz CKDAVFPOXTWTAE-LJQANCHMSA-N 1 2 374.488 3.593 40 0 FHABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2cccs2)C1 ZINC000012145824 570722439 /nfs/dbraw/zinc/72/24/39/570722439.db2.gz LCEUIVWJIZBELA-HNNXBMFYSA-N 1 2 368.506 3.651 40 0 FHABLO Cc1cc(=O)n2[nH]c([C@H]3CC[N@@H+](Cc4ccc(OC(C)C)cc4)C3)cc2n1 ZINC000012255175 570731481 /nfs/dbraw/zinc/73/14/81/570731481.db2.gz OHIUMEFFFDZSEB-KRWDZBQOSA-N 1 2 366.465 3.520 40 0 FHABLO Cc1cc(=O)n2[nH]c([C@H]3CC[N@H+](Cc4ccc(OC(C)C)cc4)C3)cc2n1 ZINC000012255175 570731482 /nfs/dbraw/zinc/73/14/82/570731482.db2.gz OHIUMEFFFDZSEB-KRWDZBQOSA-N 1 2 366.465 3.520 40 0 FHABLO COc1cc2c(cc1OC)[C@@H](c1cccnc1)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216095 570881947 /nfs/dbraw/zinc/88/19/47/570881947.db2.gz LJJRXPJDTNICKL-DENIHFKCSA-N 1 2 361.445 3.779 40 0 FHABLO COCCc1ncc(C[N@H+](Cc2ccncc2)Cc2ccc(C)cc2)cn1 ZINC000019210187 570881960 /nfs/dbraw/zinc/88/19/60/570881960.db2.gz HWPMYTRSQZNYKK-UHFFFAOYSA-N 1 2 362.477 3.571 40 0 FHABLO COCCc1ncc(C[N@@H+](Cc2ccncc2)Cc2ccc(C)cc2)cn1 ZINC000019210187 570881962 /nfs/dbraw/zinc/88/19/62/570881962.db2.gz HWPMYTRSQZNYKK-UHFFFAOYSA-N 1 2 362.477 3.571 40 0 FHABLO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C)c1 ZINC000019498291 570890065 /nfs/dbraw/zinc/89/00/65/570890065.db2.gz UNIQDOGKVALDTM-XOBRGWDASA-N 1 2 366.461 3.838 40 0 FHABLO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C)c1 ZINC000019498291 570890068 /nfs/dbraw/zinc/89/00/68/570890068.db2.gz UNIQDOGKVALDTM-XOBRGWDASA-N 1 2 366.461 3.838 40 0 FHABLO Cc1c(-c2cccc(Cl)c2)nn2c1[nH]c([C@H](C)n1cc[nH+]c1)cc2=O ZINC000019557369 570892689 /nfs/dbraw/zinc/89/26/89/570892689.db2.gz JUEHAKHKNQMDOH-LBPRGKRZSA-N 1 2 353.813 3.870 40 0 FHABLO COc1ccccc1C[N@@H+]1CCC[C@H]1c1nnc(-c2scnc2C)o1 ZINC000019563056 570893562 /nfs/dbraw/zinc/89/35/62/570893562.db2.gz ZCQJVPKFDYLUJL-AWEZNQCLSA-N 1 2 356.451 3.847 40 0 FHABLO COc1ccccc1C[N@H+]1CCC[C@H]1c1nnc(-c2scnc2C)o1 ZINC000019563056 570893567 /nfs/dbraw/zinc/89/35/67/570893567.db2.gz ZCQJVPKFDYLUJL-AWEZNQCLSA-N 1 2 356.451 3.847 40 0 FHABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Br)cc1 ZINC000020486802 570918198 /nfs/dbraw/zinc/91/81/98/570918198.db2.gz AMDKGIIUMBBVJE-UHFFFAOYSA-N 1 2 356.223 3.565 40 0 FHABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1F ZINC000328970859 571105729 /nfs/dbraw/zinc/10/57/29/571105729.db2.gz DMZJMRKDENIKKV-UHFFFAOYSA-N 1 2 356.445 3.834 40 0 FHABLO CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CCCCC2)n1 ZINC000328977626 571106039 /nfs/dbraw/zinc/10/60/39/571106039.db2.gz FUFWDTXZBLNXDC-UHFFFAOYSA-N 1 2 366.387 3.672 40 0 FHABLO CC[C@H](C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328996696 571106504 /nfs/dbraw/zinc/10/65/04/571106504.db2.gz JLVMRIRPVWXRLI-AWEZNQCLSA-N 1 2 367.884 3.858 40 0 FHABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)c(Cl)c1 ZINC000329000128 571106807 /nfs/dbraw/zinc/10/68/07/571106807.db2.gz JZZROJAAUZTNTL-KRWDZBQOSA-N 1 2 360.889 3.910 40 0 FHABLO OCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329046437 571108863 /nfs/dbraw/zinc/10/88/63/571108863.db2.gz UAJRCCCKWRLFEP-UHFFFAOYSA-N 1 2 374.366 3.732 40 0 FHABLO CC(C)(C)Nc1nc(NCc2cccc(F)c2)cc(-c2cccnc2)[nH+]1 ZINC000329061735 571109495 /nfs/dbraw/zinc/10/94/95/571109495.db2.gz WSXGYWWYIQZGJV-UHFFFAOYSA-N 1 2 351.429 3.922 40 0 FHABLO Cc1csc(Nc2cc([C@H]3CCCC[N@@H+]3Cc3cc[nH]n3)nc(C)n2)n1 ZINC000257204276 571149341 /nfs/dbraw/zinc/14/93/41/571149341.db2.gz ATUDMOXMISEJNS-MRXNPFEDSA-N 1 2 369.498 3.744 40 0 FHABLO Cc1csc(Nc2cc([C@H]3CCCC[N@H+]3Cc3cc[nH]n3)nc(C)n2)n1 ZINC000257204276 571149344 /nfs/dbraw/zinc/14/93/44/571149344.db2.gz ATUDMOXMISEJNS-MRXNPFEDSA-N 1 2 369.498 3.744 40 0 FHABLO Cc1nc(N2CCC[C@@H]2c2ccnc3ncc(-c4ccc(F)cc4)n32)cc[nH+]1 ZINC000257235631 571152745 /nfs/dbraw/zinc/15/27/45/571152745.db2.gz GYSHMBGYURAHGB-QGZVFWFLSA-N 1 2 374.423 3.975 40 0 FHABLO Cc1nc(N2CCC[C@H]2c2ccnc3ncc(-c4ccc(F)cc4)n32)cc[nH+]1 ZINC000257235630 571152891 /nfs/dbraw/zinc/15/28/91/571152891.db2.gz GYSHMBGYURAHGB-KRWDZBQOSA-N 1 2 374.423 3.975 40 0 FHABLO Cc1ccc(Nc2nc([C@H]3CCCN3Cc3c[nH+]cn3C)cs2)nc1 ZINC000257254688 571154721 /nfs/dbraw/zinc/15/47/21/571154721.db2.gz KEGJQEVGLZETJP-MRXNPFEDSA-N 1 2 354.483 3.661 40 0 FHABLO COc1ccccc1[C@H]1Cn2c(C)c[nH+]c2CN1C(=O)c1ccsc1 ZINC000257280994 571157821 /nfs/dbraw/zinc/15/78/21/571157821.db2.gz ONFUGHAJNFHSJD-MRXNPFEDSA-N 1 2 353.447 3.659 40 0 FHABLO Cc1c[nH]c(-c2cc([C@H]3CCCC[N@@H+]3Cc3cscn3)nc(C)n2)n1 ZINC000257300469 571159562 /nfs/dbraw/zinc/15/95/62/571159562.db2.gz RUKNXCKDYVVQOE-QGZVFWFLSA-N 1 2 354.483 3.667 40 0 FHABLO Cc1c[nH]c(-c2cc([C@H]3CCCC[N@H+]3Cc3cscn3)nc(C)n2)n1 ZINC000257300469 571159563 /nfs/dbraw/zinc/15/95/63/571159563.db2.gz RUKNXCKDYVVQOE-QGZVFWFLSA-N 1 2 354.483 3.667 40 0 FHABLO COc1cccc(Cc2cnc([C@@H]3CCCN3c3cc[nH+]c(C)n3)o2)c1 ZINC000257311764 571160796 /nfs/dbraw/zinc/16/07/96/571160796.db2.gz UKWVYVPBUYQDCW-SFHVURJKSA-N 1 2 350.422 3.714 40 0 FHABLO O=C(CCCc1ccccc1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378552 571186933 /nfs/dbraw/zinc/18/69/33/571186933.db2.gz IQEPLQNGEBOZLQ-HXUWFJFHSA-N 1 2 374.488 3.996 40 0 FHABLO Cn1cc[nH+]c1CN1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072384202 571188948 /nfs/dbraw/zinc/18/89/48/571188948.db2.gz QCBADIFVYNDCKM-QGZVFWFLSA-N 1 2 369.856 3.993 40 0 FHABLO Cc1[nH+]c2cc(NC(=O)CC[C@@H]3CCC(=O)N3)ccc2n1C1CCCCC1 ZINC000072391809 571189942 /nfs/dbraw/zinc/18/99/42/571189942.db2.gz RJUFDQWZWRAWKC-HNNXBMFYSA-N 1 2 368.481 3.847 40 0 FHABLO O=C(NCc1ccc2ccccc2c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000074499213 571201901 /nfs/dbraw/zinc/20/19/01/571201901.db2.gz SXHSQJAVEJNJLW-UHFFFAOYSA-N 1 2 360.457 3.602 40 0 FHABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)CC2CCCCC2)CC3)cc1 ZINC000585111665 571225583 /nfs/dbraw/zinc/22/55/83/571225583.db2.gz ZOTMLIUAQFSJLS-UHFFFAOYSA-N 1 2 367.493 3.914 40 0 FHABLO C[C@H](c1ccccc1)[N@@H+]1CCc2oc(C(=O)N(C)C3CC(C)C3)nc2C1 ZINC000585112445 571226045 /nfs/dbraw/zinc/22/60/45/571226045.db2.gz PVOOVRFBZMUBHN-ISXOHVOVSA-N 1 2 353.466 3.664 40 0 FHABLO C[C@H](c1ccccc1)[N@H+]1CCc2oc(C(=O)N(C)C3CC(C)C3)nc2C1 ZINC000585112445 571226047 /nfs/dbraw/zinc/22/60/47/571226047.db2.gz PVOOVRFBZMUBHN-ISXOHVOVSA-N 1 2 353.466 3.664 40 0 FHABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cccc(Cl)c3)[nH]2)cc1OCC ZINC000095534518 571331504 /nfs/dbraw/zinc/33/15/04/571331504.db2.gz VGIWJJBKRYTUCH-KRWDZBQOSA-N 1 2 372.856 3.971 40 0 FHABLO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccco3)C2=O)cc1 ZINC000005978102 204233356 /nfs/dbraw/zinc/23/33/56/204233356.db2.gz BHMAQRJQOHDSFC-LJQANCHMSA-N 1 2 370.449 3.660 40 0 FHABLO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)n2)cn1 ZINC000035426108 204264384 /nfs/dbraw/zinc/26/43/84/204264384.db2.gz BONZXBFZDMYBTE-INIZCTEOSA-N 1 2 353.401 3.650 40 0 biogenic,in-vitro FHABLO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3F)n2)cn1 ZINC000035426108 204264388 /nfs/dbraw/zinc/26/43/88/204264388.db2.gz BONZXBFZDMYBTE-INIZCTEOSA-N 1 2 353.401 3.650 40 0 biogenic,in-vitro FHABLO Cc1ccc([C@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000044847341 205111996 /nfs/dbraw/zinc/11/19/96/205111996.db2.gz QRUBSSSVQFDNRK-SFHVURJKSA-N 1 2 352.478 3.627 40 0 FHABLO CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000044912187 205114496 /nfs/dbraw/zinc/11/44/96/205114496.db2.gz XSJVYBOGFFQNDN-UHFFFAOYSA-N 1 2 363.417 3.669 40 0 FHABLO Cc1ccc(S(=O)(=O)[C@H](C[NH+]2CCCCC2)C(=O)c2ccccc2)cc1 ZINC000055107247 205207441 /nfs/dbraw/zinc/20/74/41/205207441.db2.gz RBFYUNLUTIBTEA-HXUWFJFHSA-N 1 2 371.502 3.506 40 0 FHABLO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)c(F)c3)n2)nc1 ZINC000049155361 206085524 /nfs/dbraw/zinc/08/55/24/206085524.db2.gz RPUZRWXNSWZYFQ-INIZCTEOSA-N 1 2 360.339 3.886 40 0 biogenic,in-vitro FHABLO Fc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)c(F)c3)n2)nc1 ZINC000049155361 206085529 /nfs/dbraw/zinc/08/55/29/206085529.db2.gz RPUZRWXNSWZYFQ-INIZCTEOSA-N 1 2 360.339 3.886 40 0 biogenic,in-vitro FHABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1 ZINC000008702108 206233717 /nfs/dbraw/zinc/23/37/17/206233717.db2.gz JZZZZCOBGMIGTJ-UHFFFAOYSA-N 1 2 374.286 3.920 40 0 FHABLO CC[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669553 136129767 /nfs/dbraw/zinc/12/97/67/136129767.db2.gz JOFVXNVOHVWVHD-LJQANCHMSA-N 1 2 368.529 3.678 40 0 FHABLO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020462667 525925353 /nfs/dbraw/zinc/92/53/53/525925353.db2.gz HUKBWEJVMBRHKU-CQSZACIVSA-N 1 2 355.825 3.609 40 0 FHABLO CCCCN(C)C(=O)[C@@H]1c2c(ncn2C(C)C)CC[N@H+]1Cc1ccccc1 ZINC000096037520 570472519 /nfs/dbraw/zinc/47/25/19/570472519.db2.gz JKKGPLUMAPAOTF-NRFANRHFSA-N 1 2 368.525 3.822 40 0 FHABLO CCCCN(C)C(=O)[C@@H]1c2c(ncn2C(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000096037520 570472522 /nfs/dbraw/zinc/47/25/22/570472522.db2.gz JKKGPLUMAPAOTF-NRFANRHFSA-N 1 2 368.525 3.822 40 0 FHABLO CCCCN(C)C(=O)[C@@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037520 570472523 /nfs/dbraw/zinc/47/25/23/570472523.db2.gz JKKGPLUMAPAOTF-NRFANRHFSA-N 1 2 368.525 3.822 40 0 FHABLO Fc1ccc(C[N@@H+]2CCCn3cnc(COCc4ccco4)c3C2)cc1 ZINC000096059038 570475120 /nfs/dbraw/zinc/47/51/20/570475120.db2.gz MYPJGRLTZPQURQ-UHFFFAOYSA-N 1 2 355.413 3.738 40 0 FHABLO Fc1ccc(C[N@H+]2CCCn3cnc(COCc4ccco4)c3C2)cc1 ZINC000096059038 570475122 /nfs/dbraw/zinc/47/51/22/570475122.db2.gz MYPJGRLTZPQURQ-UHFFFAOYSA-N 1 2 355.413 3.738 40 0 FHABLO O=C(c1ccccc1)N1CCC2(CCn3c(-c4ccncc4)c[nH+]c32)CC1 ZINC000096263431 570480043 /nfs/dbraw/zinc/48/00/43/570480043.db2.gz LHKQPXJAVKJOTN-UHFFFAOYSA-N 1 2 358.445 3.523 40 0 FHABLO Cc1ccc(C2=CC[N@H+](CC(=O)Nc3nc4ccccc4s3)CC2)o1 ZINC000012114566 570719269 /nfs/dbraw/zinc/71/92/69/570719269.db2.gz GURADRGBBOJKTD-UHFFFAOYSA-N 1 2 353.447 3.926 40 0 FHABLO Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3nc4ccccc4s3)CC2)o1 ZINC000012114566 570719272 /nfs/dbraw/zinc/71/92/72/570719272.db2.gz GURADRGBBOJKTD-UHFFFAOYSA-N 1 2 353.447 3.926 40 0 FHABLO Cc1cccc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)c1 ZINC000012142907 570721749 /nfs/dbraw/zinc/72/17/49/570721749.db2.gz WWZQQYZHHBJZJU-UHFFFAOYSA-N 1 2 350.466 3.599 40 0 FHABLO Cc1cccc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)c1 ZINC000012142907 570721752 /nfs/dbraw/zinc/72/17/52/570721752.db2.gz WWZQQYZHHBJZJU-UHFFFAOYSA-N 1 2 350.466 3.599 40 0 FHABLO C[C@H](NC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2C)C1)c1ccccc1 ZINC000012145808 570722683 /nfs/dbraw/zinc/72/26/83/570722683.db2.gz KQOGQNHCCYUNTL-FUHWJXTLSA-N 1 2 362.477 3.667 40 0 FHABLO CCc1[nH+]c2cc(NC(=O)c3c(C)onc3-c3ccncc3)ccc2n1C ZINC000012147366 570723293 /nfs/dbraw/zinc/72/32/93/570723293.db2.gz YGTKVTDKWVTVQS-UHFFFAOYSA-N 1 2 361.405 3.746 40 0 FHABLO Fc1ccc(-n2cc(C[N@@H+](Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 ZINC000019401423 570888807 /nfs/dbraw/zinc/88/88/07/570888807.db2.gz XTPNAPYIEQASPP-OAQYLSRUSA-N 1 2 366.440 3.588 40 0 FHABLO Fc1ccc(-n2cc(C[N@H+](Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 ZINC000019401423 570888810 /nfs/dbraw/zinc/88/88/10/570888810.db2.gz XTPNAPYIEQASPP-OAQYLSRUSA-N 1 2 366.440 3.588 40 0 FHABLO C[C@H](CCc1ccc(F)cc1)NC(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000019455765 570889736 /nfs/dbraw/zinc/88/97/36/570889736.db2.gz SGEDPBOJGXBLIU-MRXNPFEDSA-N 1 2 351.425 3.822 40 0 FHABLO C[C@H](C(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)O3)cs1)n1cc[nH+]c1 ZINC000019498225 570890180 /nfs/dbraw/zinc/89/01/80/570890180.db2.gz FDKCUVZOXFDLCT-VXGBXAGGSA-N 1 2 354.435 3.530 40 0 FHABLO Cc1nc(C)c(C(=O)N2CCC[C@H](c3[nH+]c(C)n4ccsc34)C2)s1 ZINC000019560024 570893381 /nfs/dbraw/zinc/89/33/81/570893381.db2.gz WILMQEZGFIOKSO-ZDUSSCGKSA-N 1 2 360.508 3.797 40 0 FHABLO CCCn1nc(C)c(-c2c[nH+]cn2CCc2ccc3c(c2)OCCO3)c1C ZINC000019654624 570896714 /nfs/dbraw/zinc/89/67/14/570896714.db2.gz NWGXQRSKZSOOIK-UHFFFAOYSA-N 1 2 366.465 3.787 40 0 FHABLO COc1cccc(-c2nc3sccn3c2C[N@H+](C)Cc2cc(C)n[nH]2)c1 ZINC000019656961 570896737 /nfs/dbraw/zinc/89/67/37/570896737.db2.gz RYDYJIRAHGFXNW-UHFFFAOYSA-N 1 2 367.478 3.735 40 0 FHABLO COc1cccc(-c2nc3sccn3c2C[N@@H+](C)Cc2cc(C)n[nH]2)c1 ZINC000019656961 570896739 /nfs/dbraw/zinc/89/67/39/570896739.db2.gz RYDYJIRAHGFXNW-UHFFFAOYSA-N 1 2 367.478 3.735 40 0 FHABLO CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000019666625 570898364 /nfs/dbraw/zinc/89/83/64/570898364.db2.gz NQEHKBFQOHIVLY-KRWDZBQOSA-N 1 2 363.461 3.875 40 0 FHABLO c1ccc2c(c1)nc1n2C2(CCCC2)NC2=[NH+]CN(C3CCCCC3)CN12 ZINC000020676416 570923735 /nfs/dbraw/zinc/92/37/35/570923735.db2.gz JRUNVRFBVHFKRT-UHFFFAOYSA-N 1 2 364.497 3.592 40 0 FHABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Cl ZINC000224090828 570976681 /nfs/dbraw/zinc/97/66/81/570976681.db2.gz HYLVBVAXUKDLCL-VMPITWQZSA-N 1 2 370.880 3.820 40 0 FHABLO c1coc(C[N@@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306134666 571038929 /nfs/dbraw/zinc/03/89/29/571038929.db2.gz NUZHHGCLPBZRJA-HXUWFJFHSA-N 1 2 360.417 3.563 40 0 FHABLO c1coc(C[N@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306134666 571038931 /nfs/dbraw/zinc/03/89/31/571038931.db2.gz NUZHHGCLPBZRJA-HXUWFJFHSA-N 1 2 360.417 3.563 40 0 FHABLO O[C@H]1c2ccccc2[C@H](O)c2c1ccc1c2C[N@H+](Cc2ccccc2)CC1 ZINC000031772145 571055624 /nfs/dbraw/zinc/05/56/24/571055624.db2.gz WDBPFTQKJYIDGQ-ZEQRLZLVSA-N 1 2 357.453 3.722 40 0 FHABLO O[C@H]1c2ccccc2[C@H](O)c2c1ccc1c2C[N@@H+](Cc2ccccc2)CC1 ZINC000031772145 571055626 /nfs/dbraw/zinc/05/56/26/571055626.db2.gz WDBPFTQKJYIDGQ-ZEQRLZLVSA-N 1 2 357.453 3.722 40 0 FHABLO COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(C)[nH+]c2ccccc12 ZINC000001458798 571064764 /nfs/dbraw/zinc/06/47/64/571064764.db2.gz NTRXCMBSTUNHLM-IBGZPJMESA-N 1 2 350.374 3.842 40 0 FHABLO Cc1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328979179 571106007 /nfs/dbraw/zinc/10/60/07/571106007.db2.gz GDVPJUOYUAJAHR-MRXNPFEDSA-N 1 2 360.889 3.910 40 0 FHABLO CC(C)[C@H](CO)Nc1nc(NCc2cccs2)cc(-c2ccccc2)[nH+]1 ZINC000328993146 571106606 /nfs/dbraw/zinc/10/66/06/571106606.db2.gz IZGFPCXEEYZHIT-SFHVURJKSA-N 1 2 368.506 3.668 40 0 FHABLO Cc1cc(C)c(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)c(C)c1 ZINC000329004851 571106868 /nfs/dbraw/zinc/10/68/68/571106868.db2.gz KVFBXYLRCLNMSS-SFHVURJKSA-N 1 2 354.498 3.874 40 0 FHABLO CCOc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)cc1 ZINC000329015971 571107357 /nfs/dbraw/zinc/10/73/57/571107357.db2.gz NEOMNDREECXWLH-OAHLLOKOSA-N 1 2 364.449 3.501 40 0 FHABLO COC(=O)c1ccc(OC)c(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)c1 ZINC000329027349 571107645 /nfs/dbraw/zinc/10/76/45/571107645.db2.gz PSCBBKOINJZYJF-UHFFFAOYSA-N 1 2 370.453 3.525 40 0 FHABLO CC[C@@H](C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329057761 571109091 /nfs/dbraw/zinc/10/90/91/571109091.db2.gz VYMKASGNAJTROQ-CQSZACIVSA-N 1 2 367.884 3.858 40 0 FHABLO CC[C@H](C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccnc2)[nH+]1 ZINC000329057808 571109216 /nfs/dbraw/zinc/10/92/16/571109216.db2.gz VZVMUHJPVDCRHN-AWEZNQCLSA-N 1 2 367.884 3.858 40 0 FHABLO CNc1nc(Nc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329068271 571109548 /nfs/dbraw/zinc/10/95/48/571109548.db2.gz YNZKIFOFZNQCLG-UHFFFAOYSA-N 1 2 355.239 3.535 40 0 FHABLO CCOC[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2c[nH+]cn21 ZINC000253386432 571135506 /nfs/dbraw/zinc/13/55/06/571135506.db2.gz WSMXLOZCGHMKFT-OAHLLOKOSA-N 1 2 359.813 3.516 40 0 FHABLO Cn1c[nH+]c(CN2CCC[C@H]2c2cncc(Oc3ccc(Cl)cc3)n2)c1 ZINC000257206423 571149775 /nfs/dbraw/zinc/14/97/75/571149775.db2.gz BDICIADWNQGENH-SFHVURJKSA-N 1 2 369.856 3.993 40 0 FHABLO Cc1cnc([C@@H]2CCCN(C(=O)Cn3c(C)[nH+]c4ccccc43)C2)s1 ZINC000257275550 571157244 /nfs/dbraw/zinc/15/72/44/571157244.db2.gz NPVWXMVGTAHSEJ-OAHLLOKOSA-N 1 2 354.479 3.516 40 0 FHABLO Cc1cc(-c2nccn2C)nc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000257299779 571159466 /nfs/dbraw/zinc/15/94/66/571159466.db2.gz RROBLIFBQRVERG-SFHVURJKSA-N 1 2 351.429 3.662 40 0 FHABLO Cc1cc(-c2nccn2C)nc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000257299779 571159470 /nfs/dbraw/zinc/15/94/70/571159470.db2.gz RROBLIFBQRVERG-SFHVURJKSA-N 1 2 351.429 3.662 40 0 FHABLO Cc1ccc(C(=O)N2Cc3cccn3C[C@H](CCNc3cccc[nH+]3)C2)o1 ZINC000585095497 571219931 /nfs/dbraw/zinc/21/99/31/571219931.db2.gz UJHQNLMUEIRMKS-KRWDZBQOSA-N 1 2 364.449 3.559 40 0 FHABLO C[C@@H](c1ccccc1)[N@@H+]1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 ZINC000585112912 571226290 /nfs/dbraw/zinc/22/62/90/571226290.db2.gz WQGBQQBKQGBLIA-HOTGVXAUSA-N 1 2 353.466 3.666 40 0 FHABLO C[C@@H](c1ccccc1)[N@H+]1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 ZINC000585112912 571226293 /nfs/dbraw/zinc/22/62/93/571226293.db2.gz WQGBQQBKQGBLIA-HOTGVXAUSA-N 1 2 353.466 3.666 40 0 FHABLO O=C(c1cc(Cl)ccc1O)N1CCc2[nH+]cc(-c3ccccc3)n2CC1 ZINC000585111110 571226783 /nfs/dbraw/zinc/22/67/83/571226783.db2.gz DYDDVPZCINZGII-UHFFFAOYSA-N 1 2 367.836 3.608 40 0 FHABLO Clc1ccc(-n2nnnc2C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004183493 204126268 /nfs/dbraw/zinc/12/62/68/204126268.db2.gz MRDOIZWOVVQTOQ-UHFFFAOYSA-N 1 2 367.884 3.770 40 0 FHABLO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)c(F)c3)n2)cn1 ZINC000035425836 204263634 /nfs/dbraw/zinc/26/36/34/204263634.db2.gz YHTBXSCKSOICJZ-INIZCTEOSA-N 1 2 372.375 3.756 40 0 biogenic,in-vitro FHABLO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)c(F)c3)n2)cn1 ZINC000035425836 204263635 /nfs/dbraw/zinc/26/36/35/204263635.db2.gz YHTBXSCKSOICJZ-INIZCTEOSA-N 1 2 372.375 3.756 40 0 biogenic,in-vitro FHABLO O=C(NCCSCc1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038837116 205043473 /nfs/dbraw/zinc/04/34/73/205043473.db2.gz NCUCYOMPMZWIJO-UHFFFAOYSA-N 1 2 351.475 3.595 40 0 FHABLO CN(C)c1cc([C@H]2c3ccccc3CCCN2C(=O)c2ccco2)cc[nH+]1 ZINC000096087146 205819885 /nfs/dbraw/zinc/81/98/85/205819885.db2.gz YSPXCLDLPAHCIX-NRFANRHFSA-N 1 2 361.445 3.919 40 0 FHABLO C[C@@H]1CCC[N@@H+]([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)C1 ZINC000020143266 206329523 /nfs/dbraw/zinc/32/95/23/206329523.db2.gz XTBUYGUTNMGODQ-APWZRJJASA-N 1 2 367.522 3.799 40 0 FHABLO C[C@@H]1CCC[N@H+]([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)C1 ZINC000020143266 206329528 /nfs/dbraw/zinc/32/95/28/206329528.db2.gz XTBUYGUTNMGODQ-APWZRJJASA-N 1 2 367.522 3.799 40 0 FHABLO Cc1ccc([C@@H](c2nnnn2C(C)(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020121077 206330471 /nfs/dbraw/zinc/33/04/71/206330471.db2.gz CBUXLBWPDJERIO-FQEVSTJZSA-N 1 2 361.493 3.884 40 0 FHABLO Cc1ccc([C@@H](c2nnnn2C(C)(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020121077 206330476 /nfs/dbraw/zinc/33/04/76/206330476.db2.gz CBUXLBWPDJERIO-FQEVSTJZSA-N 1 2 361.493 3.884 40 0 FHABLO COc1ccc(CN(C)C(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219847965 132274668 /nfs/dbraw/zinc/27/46/68/132274668.db2.gz VPIVFMOOTPCQLQ-UHFFFAOYSA-N 1 2 352.478 3.879 40 0 FHABLO COC(=O)c1cccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1 ZINC000219859853 132275077 /nfs/dbraw/zinc/27/50/77/132275077.db2.gz RMARYUGCYOPADK-UHFFFAOYSA-N 1 2 352.434 3.637 40 0 FHABLO O=C(C[N@H+]1CCC[C@@H](O)C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000003096840 132384746 /nfs/dbraw/zinc/38/47/46/132384746.db2.gz LHACSUDPUPBKCV-CQSZACIVSA-N 1 2 374.893 3.926 40 0 FHABLO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000003096840 132384747 /nfs/dbraw/zinc/38/47/47/132384747.db2.gz LHACSUDPUPBKCV-CQSZACIVSA-N 1 2 374.893 3.926 40 0 FHABLO Cc1ccc(N2CC[NH+](CC(=O)Nc3ccc(C)c(F)c3)CC2)c(C)c1 ZINC000057720084 136130047 /nfs/dbraw/zinc/13/00/47/136130047.db2.gz WSDOQLQNRVPGBT-UHFFFAOYSA-N 1 2 355.457 3.512 40 0 FHABLO CCC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669874 535722628 /nfs/dbraw/zinc/72/26/28/535722628.db2.gz ZUUNIVVVGZTWAM-GOSISDBHSA-N 1 2 374.508 3.621 40 0 FHABLO Fc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccccc4F)C[C@H]3F)nc2c1 ZINC000096112221 560060815 /nfs/dbraw/zinc/06/08/15/560060815.db2.gz AACNFPFWXNTEAX-QAPCUYQASA-N 1 2 361.367 3.580 40 0 biogenic,in-vitro FHABLO Fc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccccc4F)C[C@H]3F)nc2c1 ZINC000096112221 560060817 /nfs/dbraw/zinc/06/08/17/560060817.db2.gz AACNFPFWXNTEAX-QAPCUYQASA-N 1 2 361.367 3.580 40 0 biogenic,in-vitro FHABLO O=C(NCCOc1cccc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000223575533 568671507 /nfs/dbraw/zinc/67/15/07/568671507.db2.gz REMHBDNVRVACKI-UHFFFAOYSA-N 1 2 371.440 3.893 40 0 FHABLO c1cc(C[N@H+]2CCc3c(COCc4ccncc4)cncc3C2)cs1 ZINC000096059324 570475306 /nfs/dbraw/zinc/47/53/06/570475306.db2.gz UWPULUYVPMTVND-UHFFFAOYSA-N 1 2 351.475 3.813 40 0 FHABLO c1cc(C[N@@H+]2CCc3c(COCc4ccncc4)cncc3C2)cs1 ZINC000096059324 570475309 /nfs/dbraw/zinc/47/53/09/570475309.db2.gz UWPULUYVPMTVND-UHFFFAOYSA-N 1 2 351.475 3.813 40 0 FHABLO O=C(CC1=CCCCC1)N1Cc2c[nH+]cn2C[C@H](COCC2CCC2)C1 ZINC000096207751 570479151 /nfs/dbraw/zinc/47/91/51/570479151.db2.gz NJCPVINBRKQAHL-LJQANCHMSA-N 1 2 357.498 3.549 40 0 FHABLO O=C(Cn1cc[nH+]c1-c1ccccc1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000012116825 570719718 /nfs/dbraw/zinc/71/97/18/570719718.db2.gz BTJMFYBXRXGLOP-QFIPXVFZSA-N 1 2 368.440 3.851 40 0 FHABLO CC(C)Oc1ccc(-c2csc(NC(=O)[C@H](C)n3cc[nH+]c3)n2)cc1 ZINC000019450724 570889174 /nfs/dbraw/zinc/88/91/74/570889174.db2.gz ACLHBWRPOGVGSH-ZDUSSCGKSA-N 1 2 356.451 3.994 40 0 FHABLO CCn1c(C)[nH+]c2cc(NC(=O)c3cn4cc(Cl)ccc4n3)ccc21 ZINC000019716739 570900001 /nfs/dbraw/zinc/90/00/01/570900001.db2.gz GCHAGXPDNQXWIV-UHFFFAOYSA-N 1 2 353.813 3.918 40 0 FHABLO COc1cccc(C[NH+]2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000020120883 570910507 /nfs/dbraw/zinc/91/05/07/570910507.db2.gz AVVRYNGXQGBTEF-UHFFFAOYSA-N 1 2 359.857 3.698 40 0 FHABLO O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020452211 570916645 /nfs/dbraw/zinc/91/66/45/570916645.db2.gz NUSDOHUVFPYRFZ-UHFFFAOYSA-N 1 2 364.367 3.790 40 0 FHABLO Cc1cccc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)c1C ZINC000225220921 571022921 /nfs/dbraw/zinc/02/29/21/571022921.db2.gz CFEFZVNIQLGSFR-UHFFFAOYSA-N 1 2 355.507 3.524 40 0 FHABLO CCNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@H](C)CC)n1 ZINC000328958522 571104645 /nfs/dbraw/zinc/10/46/45/571104645.db2.gz APRWJKYBODVNLD-LLVKDONJSA-N 1 2 354.376 3.528 40 0 FHABLO Cc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328982871 571105959 /nfs/dbraw/zinc/10/59/59/571105959.db2.gz HDGNGGZCNALTGS-UHFFFAOYSA-N 1 2 359.477 3.657 40 0 FHABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000328977259 571105975 /nfs/dbraw/zinc/10/59/75/571105975.db2.gz FSTYUQXXKWIONW-HXUWFJFHSA-N 1 2 362.477 3.606 40 0 FHABLO OCCCNc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329054164 571108853 /nfs/dbraw/zinc/10/88/53/571108853.db2.gz VJWZXZGGHDKTFO-UHFFFAOYSA-N 1 2 354.841 3.757 40 0 FHABLO CC[C@@H](C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccnc2)[nH+]1 ZINC000329057809 571109102 /nfs/dbraw/zinc/10/91/02/571109102.db2.gz VZVMUHJPVDCRHN-CQSZACIVSA-N 1 2 367.884 3.858 40 0 FHABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)c(Br)c1 ZINC000329060818 571109154 /nfs/dbraw/zinc/10/91/54/571109154.db2.gz WNZUDDMEOWWMNZ-UHFFFAOYSA-N 1 2 361.287 3.833 40 0 FHABLO Cc1ccc(C[N@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)o1 ZINC000248052921 571127570 /nfs/dbraw/zinc/12/75/70/571127570.db2.gz BLSMRTOYAXCJDU-FQEVSTJZSA-N 1 2 358.482 3.780 40 0 FHABLO Cc1ccc(C[N@@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)o1 ZINC000248052921 571127572 /nfs/dbraw/zinc/12/75/72/571127572.db2.gz BLSMRTOYAXCJDU-FQEVSTJZSA-N 1 2 358.482 3.780 40 0 FHABLO COc1ccc([C@@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2ccsc2)cc1 ZINC000257226504 571152134 /nfs/dbraw/zinc/15/21/34/571152134.db2.gz FKWPNRQAHRPQQA-KRWDZBQOSA-N 1 2 353.447 3.659 40 0 FHABLO Cc1cccc(Nc2cc([C@H]3CCCC[N@@H+]3Cc3cc[nH]n3)nc(C)n2)n1 ZINC000257234159 571152833 /nfs/dbraw/zinc/15/28/33/571152833.db2.gz GSKOGJLPSTWMHT-GOSISDBHSA-N 1 2 363.469 3.682 40 0 FHABLO Cc1cccc(Nc2cc([C@H]3CCCC[N@H+]3Cc3cc[nH]n3)nc(C)n2)n1 ZINC000257234159 571152836 /nfs/dbraw/zinc/15/28/36/571152836.db2.gz GSKOGJLPSTWMHT-GOSISDBHSA-N 1 2 363.469 3.682 40 0 FHABLO Cc1cnc(Nc2cc([C@@H]3CCCC[N@@H+]3Cc3cc[nH]n3)nc(C)n2)s1 ZINC000257299650 571159595 /nfs/dbraw/zinc/15/95/95/571159595.db2.gz RQYNTJAPLXBYSY-INIZCTEOSA-N 1 2 369.498 3.744 40 0 FHABLO Cc1cnc(Nc2cc([C@@H]3CCCC[N@H+]3Cc3cc[nH]n3)nc(C)n2)s1 ZINC000257299650 571159596 /nfs/dbraw/zinc/15/95/96/571159596.db2.gz RQYNTJAPLXBYSY-INIZCTEOSA-N 1 2 369.498 3.744 40 0 FHABLO Cn1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257308262 571160432 /nfs/dbraw/zinc/16/04/32/571160432.db2.gz TWCKPZJRKQBOPW-OAHLLOKOSA-N 1 2 365.433 3.758 40 0 FHABLO Cn1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257308262 571160433 /nfs/dbraw/zinc/16/04/33/571160433.db2.gz TWCKPZJRKQBOPW-OAHLLOKOSA-N 1 2 365.433 3.758 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257311263 571160837 /nfs/dbraw/zinc/16/08/37/571160837.db2.gz UISKWJLIIAXABD-KRWDZBQOSA-N 1 2 352.442 3.507 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257311263 571160838 /nfs/dbraw/zinc/16/08/38/571160838.db2.gz UISKWJLIIAXABD-KRWDZBQOSA-N 1 2 352.442 3.507 40 0 FHABLO COc1ccccc1C[N@@H+]1CCCC[C@H]1c1nnc(-c2ccccn2)o1 ZINC000072344719 571179675 /nfs/dbraw/zinc/17/96/75/571179675.db2.gz OSPNYESELTVMMK-KRWDZBQOSA-N 1 2 350.422 3.867 40 0 FHABLO COc1ccccc1C[N@H+]1CCCC[C@H]1c1nnc(-c2ccccn2)o1 ZINC000072344719 571179677 /nfs/dbraw/zinc/17/96/77/571179677.db2.gz OSPNYESELTVMMK-KRWDZBQOSA-N 1 2 350.422 3.867 40 0 FHABLO O=C(CCCc1ccccc1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378551 571186856 /nfs/dbraw/zinc/18/68/56/571186856.db2.gz IQEPLQNGEBOZLQ-FQEVSTJZSA-N 1 2 374.488 3.996 40 0 FHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2scnc2C)n1 ZINC000072379038 571187213 /nfs/dbraw/zinc/18/72/13/571187213.db2.gz BIQFWBLYLOYAOW-HNNXBMFYSA-N 1 2 367.478 3.572 40 0 FHABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2cccnc2)n1 ZINC000072378874 571187318 /nfs/dbraw/zinc/18/73/18/571187318.db2.gz XTYJJZCMDWYVAG-GOSISDBHSA-N 1 2 361.449 3.763 40 0 FHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000072378889 571187466 /nfs/dbraw/zinc/18/74/66/571187466.db2.gz NEONTRFLGXIISI-IBGZPJMESA-N 1 2 374.488 3.778 40 0 FHABLO CCc1ncc(C[N@@H+]2CCC[C@H]2c2n[nH]cc2-c2ccccc2F)cn1 ZINC000072380396 571188045 /nfs/dbraw/zinc/18/80/45/571188045.db2.gz RMWQVDHWBGHOCK-SFHVURJKSA-N 1 2 351.429 3.905 40 0 FHABLO CCc1ncc(C[N@H+]2CCC[C@H]2c2n[nH]cc2-c2ccccc2F)cn1 ZINC000072380396 571188047 /nfs/dbraw/zinc/18/80/47/571188047.db2.gz RMWQVDHWBGHOCK-SFHVURJKSA-N 1 2 351.429 3.905 40 0 FHABLO Cc1cc(Oc2ccccc2F)nc([C@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072384191 571188953 /nfs/dbraw/zinc/18/89/53/571188953.db2.gz LNUGVBUXFFNLFR-MRXNPFEDSA-N 1 2 367.428 3.787 40 0 FHABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccc(C)n2)CCO3)s1 ZINC000585104946 571224158 /nfs/dbraw/zinc/22/41/58/571224158.db2.gz MQQOKMSDBSZFNB-SFHVURJKSA-N 1 2 358.507 3.710 40 0 FHABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2cccc(C)n2)CCO3)s1 ZINC000585104943 571224175 /nfs/dbraw/zinc/22/41/75/571224175.db2.gz MQQOKMSDBSZFNB-GOSISDBHSA-N 1 2 358.507 3.710 40 0 FHABLO C[C@H](c1ccccc1)[N@@H+]1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 ZINC000585112914 571226305 /nfs/dbraw/zinc/22/63/05/571226305.db2.gz WQGBQQBKQGBLIA-JKSUJKDBSA-N 1 2 353.466 3.666 40 0 FHABLO C[C@H](c1ccccc1)[N@H+]1CCc2oc(C(=O)N3CCC[C@H](C)C3)nc2C1 ZINC000585112914 571226308 /nfs/dbraw/zinc/22/63/08/571226308.db2.gz WQGBQQBKQGBLIA-JKSUJKDBSA-N 1 2 353.466 3.666 40 0 FHABLO Cc1ccc2[nH+]c3n(c2c1)CN(Cc1ccccc1)CN3C[C@H]1CCCO1 ZINC000017074612 571303879 /nfs/dbraw/zinc/30/38/79/571303879.db2.gz LOZRDSRTIKXLPH-LJQANCHMSA-N 1 2 362.477 3.761 40 0 FHABLO O=C(CC1CC1)N1CCC2(Cc3[nH+]cc(-c4cccc(F)c4)n3C2)CC1 ZINC000306128709 203784709 /nfs/dbraw/zinc/78/47/09/203784709.db2.gz HIVNUFRNAJTGIG-UHFFFAOYSA-N 1 2 353.441 3.654 40 0 FHABLO COc1ccccc1C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000049155387 206086646 /nfs/dbraw/zinc/08/66/46/206086646.db2.gz HTACFNVFLFOVNZ-INIZCTEOSA-N 1 2 354.385 3.616 40 0 biogenic,in-vitro FHABLO COc1ccccc1C[N@H+]1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000049155387 206086648 /nfs/dbraw/zinc/08/66/48/206086648.db2.gz HTACFNVFLFOVNZ-INIZCTEOSA-N 1 2 354.385 3.616 40 0 biogenic,in-vitro FHABLO CC1CC[NH+]([C@@H](c2cccs2)c2nnnn2Cc2ccccc2)CC1 ZINC000019496826 206325986 /nfs/dbraw/zinc/32/59/86/206325986.db2.gz AAFOXJMQRPXLRQ-SFHVURJKSA-N 1 2 353.495 3.604 40 0 FHABLO Cc1nc(N2CCO[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc[nH+]1 ZINC000257229354 132295039 /nfs/dbraw/zinc/29/50/39/132295039.db2.gz FXTSNAKSBCUARY-KRWDZBQOSA-N 1 2 370.840 3.595 40 0 FHABLO O=C(NCCCn1cc[nH+]c1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044843217 136121784 /nfs/dbraw/zinc/12/17/84/136121784.db2.gz KTBGSWPZQFOVDL-UHFFFAOYSA-N 1 2 374.488 3.656 40 0 FHABLO O=C(CSc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000031850698 263392298 /nfs/dbraw/zinc/39/22/98/263392298.db2.gz VEOVPEMOOWYYBS-JXMROGBWSA-N 1 2 352.503 3.636 40 0 FHABLO O=C(c1ccncc1)N1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC000096145066 570477184 /nfs/dbraw/zinc/47/71/84/570477184.db2.gz VOWIBTFYVDKSRW-UHFFFAOYSA-N 1 2 358.445 3.523 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(NC3CCC3)[nH+]c2)cc1 ZINC000072213848 570529521 /nfs/dbraw/zinc/52/95/21/570529521.db2.gz OFVCZJRNJYJXCA-IBGZPJMESA-N 1 2 371.506 3.880 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc[nH+]c2NC2CCC2)cc1 ZINC000072213908 570529542 /nfs/dbraw/zinc/52/95/42/570529542.db2.gz UUBLSWKWZKCIJQ-IBGZPJMESA-N 1 2 371.506 3.880 40 0 FHABLO Cc1cc(=O)n2[nH]c([C@@H]3CC[N@@H+](Cc4ccc(OC(C)C)cc4)C3)cc2n1 ZINC000012255169 570731347 /nfs/dbraw/zinc/73/13/47/570731347.db2.gz OHIUMEFFFDZSEB-QGZVFWFLSA-N 1 2 366.465 3.520 40 0 FHABLO Cc1cc(=O)n2[nH]c([C@@H]3CC[N@H+](Cc4ccc(OC(C)C)cc4)C3)cc2n1 ZINC000012255169 570731352 /nfs/dbraw/zinc/73/13/52/570731352.db2.gz OHIUMEFFFDZSEB-QGZVFWFLSA-N 1 2 366.465 3.520 40 0 FHABLO O=C(c1cc2c(s1)CCCC2)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000036612955 570835931 /nfs/dbraw/zinc/83/59/31/570835931.db2.gz ZKCZYVYNUYLQPQ-UHFFFAOYSA-N 1 2 358.482 3.724 40 0 FHABLO Cc1csc2c([C@H]3CCN(C(=O)COc4ccccc4F)C3)[nH+]c(C)n12 ZINC000019240489 570884354 /nfs/dbraw/zinc/88/43/54/570884354.db2.gz RDPMAHRNENIMBA-AWEZNQCLSA-N 1 2 373.453 3.547 40 0 FHABLO Fc1ccc(C[N@@H+](Cc2ccnn2[C@@H]2CCCCO2)C[C@@H]2CCCO2)cc1 ZINC000019333677 570886324 /nfs/dbraw/zinc/88/63/24/570886324.db2.gz ZHMOEUXCENPZSA-SFTDATJTSA-N 1 2 373.472 3.903 40 0 FHABLO Fc1ccc(C[N@H+](Cc2ccnn2[C@@H]2CCCCO2)C[C@@H]2CCCO2)cc1 ZINC000019333677 570886329 /nfs/dbraw/zinc/88/63/29/570886329.db2.gz ZHMOEUXCENPZSA-SFTDATJTSA-N 1 2 373.472 3.903 40 0 FHABLO COc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1 ZINC000019453633 570889254 /nfs/dbraw/zinc/88/92/54/570889254.db2.gz WRPJQCGMFWVSPJ-UHFFFAOYSA-N 1 2 366.509 3.767 40 0 FHABLO COc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc1 ZINC000019453633 570889255 /nfs/dbraw/zinc/88/92/55/570889255.db2.gz WRPJQCGMFWVSPJ-UHFFFAOYSA-N 1 2 366.509 3.767 40 0 FHABLO CCc1[nH]c(=O)c(C(=O)Nc2ccc(-n3cc[nH+]c3C(C)C)cc2)cc1C ZINC000019521483 570891130 /nfs/dbraw/zinc/89/11/30/570891130.db2.gz UVVNSWKKUWGFOJ-UHFFFAOYSA-N 1 2 364.449 3.807 40 0 FHABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1C[C@H](C)Oc1ccccc1Cl ZINC000019719700 570900899 /nfs/dbraw/zinc/90/08/99/570900899.db2.gz MHGBSLXCGFNCFZ-LBPRGKRZSA-N 1 2 374.828 3.571 40 0 FHABLO S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1cc[nH+]cc1 ZINC000224021750 570974798 /nfs/dbraw/zinc/97/47/98/570974798.db2.gz FQDSYZOFHYSUSC-UHFFFAOYSA-N 1 2 361.898 3.770 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306140208 571041526 /nfs/dbraw/zinc/04/15/26/571041526.db2.gz UNABMRBKHZNBML-HKUYNNGSSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306140208 571041529 /nfs/dbraw/zinc/04/15/29/571041529.db2.gz UNABMRBKHZNBML-HKUYNNGSSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306143537 571042516 /nfs/dbraw/zinc/04/25/16/571042516.db2.gz YFBHLAYSUFOAED-IEBWSBKVSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306143537 571042521 /nfs/dbraw/zinc/04/25/21/571042521.db2.gz YFBHLAYSUFOAED-IEBWSBKVSA-N 1 2 371.483 3.763 40 0 FHABLO O=C(CC1CC1)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306143895 571042945 /nfs/dbraw/zinc/04/29/45/571042945.db2.gz YQBZFLHUVFUNFA-OAQYLSRUSA-N 1 2 372.472 3.601 40 0 FHABLO CC(C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329020304 571107328 /nfs/dbraw/zinc/10/73/28/571107328.db2.gz OAKPVPBNJQRCRO-UHFFFAOYSA-N 1 2 354.404 3.698 40 0 FHABLO COc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NC(C)(C)C)n1 ZINC000329049521 571108881 /nfs/dbraw/zinc/10/88/81/571108881.db2.gz UPAPFYPJKVWAQF-UHFFFAOYSA-N 1 2 363.465 3.792 40 0 FHABLO CNc1nc(NCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329070186 571109818 /nfs/dbraw/zinc/10/98/18/571109818.db2.gz ZELXDPAQGCYBNC-UHFFFAOYSA-N 1 2 374.366 3.540 40 0 FHABLO Cc1cccc(COCC[C@H]2CCOC23C[NH+](Cc2ccccc2F)C3)n1 ZINC000247889652 571126114 /nfs/dbraw/zinc/12/61/14/571126114.db2.gz UUECKFCQWYAFLI-IBGZPJMESA-N 1 2 370.468 3.727 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@@H+]2Cc2cnccn2)n1 ZINC000257250667 571154520 /nfs/dbraw/zinc/15/45/20/571154520.db2.gz JNMJQBZQNLQJDR-GOSISDBHSA-N 1 2 364.453 3.574 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@H+]2Cc2cnccn2)n1 ZINC000257250667 571154522 /nfs/dbraw/zinc/15/45/22/571154522.db2.gz JNMJQBZQNLQJDR-GOSISDBHSA-N 1 2 364.453 3.574 40 0 FHABLO Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CC[NH+](Cc3cc[nH]n3)CC1)O2 ZINC000257262745 571155629 /nfs/dbraw/zinc/15/56/29/571155629.db2.gz LMRFPAMXTZGJFD-PKOBYXMFSA-N 1 2 373.884 3.958 40 0 FHABLO O=C1NC[C@@]2(CCC[N@@H+](Cc3c(F)cccc3Cl)C2)Oc2ccccc21 ZINC000072328094 571178766 /nfs/dbraw/zinc/17/87/66/571178766.db2.gz OMBFAIFFUWWBPL-HXUWFJFHSA-N 1 2 374.843 3.636 40 0 FHABLO O=C1NC[C@@]2(CCC[N@H+](Cc3c(F)cccc3Cl)C2)Oc2ccccc21 ZINC000072328094 571178769 /nfs/dbraw/zinc/17/87/69/571178769.db2.gz OMBFAIFFUWWBPL-HXUWFJFHSA-N 1 2 374.843 3.636 40 0 FHABLO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)n1 ZINC000072390513 571189896 /nfs/dbraw/zinc/18/98/96/571189896.db2.gz RAIKHTGHAKEPMM-IBGZPJMESA-N 1 2 361.449 3.675 40 0 FHABLO Cc1cccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)n1 ZINC000072390513 571189899 /nfs/dbraw/zinc/18/98/99/571189899.db2.gz RAIKHTGHAKEPMM-IBGZPJMESA-N 1 2 361.449 3.675 40 0 FHABLO Cc1cccnc1CN1CCn2c(CCOCC3CCC3)c[nH+]c2[C@H]1C ZINC000585098539 571221313 /nfs/dbraw/zinc/22/13/13/571221313.db2.gz URXRRXLPAORPDV-QGZVFWFLSA-N 1 2 354.498 3.523 40 0 FHABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4ccc(Cl)cc4)C3)C2)n1 ZINC000585105167 571224453 /nfs/dbraw/zinc/22/44/53/571224453.db2.gz PIQHIADHGWSJHJ-HXUWFJFHSA-N 1 2 372.896 3.994 40 0 FHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2ccc(-c3ccccc3F)cn2)C1 ZINC000019692588 571304224 /nfs/dbraw/zinc/30/42/24/571304224.db2.gz OAWPVWMRRFVHAV-OAQYLSRUSA-N 1 2 366.440 3.503 40 0 FHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2ccc(-c3ccccc3F)cn2)C1 ZINC000019692588 571304225 /nfs/dbraw/zinc/30/42/25/571304225.db2.gz OAWPVWMRRFVHAV-OAQYLSRUSA-N 1 2 366.440 3.503 40 0 FHABLO Cc1cc2[nH+]cn(C3=CC(=O)N(c4ccc(Cl)cc4)C3=O)c2cc1C ZINC000001441516 204006511 /nfs/dbraw/zinc/00/65/11/204006511.db2.gz SIPADVQHZTWDMW-UHFFFAOYSA-N 1 2 351.793 3.721 40 0 FHABLO Cc1cc(C)n(CN(Cn2nc(C)cc2C)c2ccc([NH+](C)C)cc2)n1 ZINC000003852204 204112122 /nfs/dbraw/zinc/11/21/22/204112122.db2.gz WJZCZEHZTKBUBM-UHFFFAOYSA-N 1 2 352.486 3.501 40 0 FHABLO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)n2)cn1 ZINC000035425839 204263709 /nfs/dbraw/zinc/26/37/09/204263709.db2.gz XBLBBVSVDZGQSQ-INIZCTEOSA-N 1 2 354.385 3.616 40 0 biogenic,in-vitro FHABLO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3F)n2)cn1 ZINC000035425839 204263712 /nfs/dbraw/zinc/26/37/12/204263712.db2.gz XBLBBVSVDZGQSQ-INIZCTEOSA-N 1 2 354.385 3.616 40 0 biogenic,in-vitro FHABLO Cc1cc(C)cc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000038229616 205040659 /nfs/dbraw/zinc/04/06/59/205040659.db2.gz SDDJBLHAORLGCA-UHFFFAOYSA-N 1 2 369.534 3.622 40 0 FHABLO CC[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C)cc1 ZINC000044935875 205116744 /nfs/dbraw/zinc/11/67/44/205116744.db2.gz RJTDTPLJGMLMCL-NRFANRHFSA-N 1 2 352.478 3.708 40 0 FHABLO COc1ccc(C)cc1Nc1cc(N)[nH+]c(-c2ccc(OC)c(OC)c2)n1 ZINC000049468220 205172621 /nfs/dbraw/zinc/17/26/21/205172621.db2.gz SQKJIOVWUGPLMS-UHFFFAOYSA-N 1 2 366.421 3.804 40 0 FHABLO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000001336599 206146437 /nfs/dbraw/zinc/14/64/37/206146437.db2.gz JRCYMRSSWJLXCR-UHFFFAOYSA-N 1 2 368.452 3.976 40 0 FHABLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000022197023 206369481 /nfs/dbraw/zinc/36/94/81/206369481.db2.gz DPWBKXUOTPSOHD-QRVBRYPASA-N 1 2 367.399 3.708 40 0 FHABLO CCC[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670141 136129779 /nfs/dbraw/zinc/12/97/79/136129779.db2.gz KWHVPIGWXKQGNA-SFHVURJKSA-N 1 2 356.518 3.534 40 0 FHABLO Cc1ccc(SCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000031852168 263392469 /nfs/dbraw/zinc/39/24/69/263392469.db2.gz ZILDVQGIMKGZCW-VMPITWQZSA-N 1 2 366.530 3.945 40 0 FHABLO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020493971 522885090 /nfs/dbraw/zinc/88/50/90/522885090.db2.gz GHPCGAVZSNCNMC-IBGZPJMESA-N 1 2 369.852 4.000 40 0 FHABLO COc1ccc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(OC)cc2)cc1 ZINC000079440024 524110014 /nfs/dbraw/zinc/11/00/14/524110014.db2.gz PWPJEBGDBIUTEM-OAQYLSRUSA-N 1 2 369.461 3.802 40 0 FHABLO COc1ccc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(OC)cc2)cc1 ZINC000079440024 524110023 /nfs/dbraw/zinc/11/00/23/524110023.db2.gz PWPJEBGDBIUTEM-OAQYLSRUSA-N 1 2 369.461 3.802 40 0 FHABLO Cc1ccc(S[C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020494537 525666364 /nfs/dbraw/zinc/66/63/64/525666364.db2.gz JAYPJNABYFPZCT-INIZCTEOSA-N 1 2 351.475 3.978 40 0 FHABLO CCOc1cccc(CNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1 ZINC000219862957 535453967 /nfs/dbraw/zinc/45/39/67/535453967.db2.gz OKIMWDMQMBBTNF-UHFFFAOYSA-N 1 2 352.478 3.927 40 0 FHABLO CCC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669867 535722513 /nfs/dbraw/zinc/72/25/13/535722513.db2.gz SVKAQYVXKWBOLA-GOSISDBHSA-N 1 2 374.508 3.621 40 0 FHABLO CC[C@H](C)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(C2CC2)[nH+]1 ZINC000328996546 536148756 /nfs/dbraw/zinc/14/87/56/536148756.db2.gz JKDVWRIBZSHYFX-HNNXBMFYSA-N 1 2 367.497 3.567 40 0 FHABLO Fc1ccc(Oc2ccc(Cl)cc2)c(OCC[NH+]2CCOCC2)c1 ZINC000585266209 570482740 /nfs/dbraw/zinc/48/27/40/570482740.db2.gz LVFQMNAUIDZCAR-UHFFFAOYSA-N 1 2 351.805 3.982 40 0 FHABLO O=C(NCC[N@H+](Cc1cccs1)Cc1ccccn1)c1cccs1 ZINC000013991080 570500599 /nfs/dbraw/zinc/50/05/99/570500599.db2.gz ZYHBQXARHZFQDG-UHFFFAOYSA-N 1 2 357.504 3.637 40 0 FHABLO O=C(NCC[N@@H+](Cc1cccs1)Cc1ccccn1)c1cccs1 ZINC000013991080 570500603 /nfs/dbraw/zinc/50/06/03/570500603.db2.gz ZYHBQXARHZFQDG-UHFFFAOYSA-N 1 2 357.504 3.637 40 0 FHABLO CCN(CC)c1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072212846 570528076 /nfs/dbraw/zinc/52/80/76/570528076.db2.gz WPGMKZLITHBIDD-LJQANCHMSA-N 1 2 373.522 3.762 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc[nH+]c2NCC(C)C)cc1 ZINC000072213264 570528428 /nfs/dbraw/zinc/52/84/28/570528428.db2.gz QLWSIXIMZISGDK-IBGZPJMESA-N 1 2 373.522 3.984 40 0 FHABLO O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000006865113 570655594 /nfs/dbraw/zinc/65/55/94/570655594.db2.gz XFJAEQGFJSKTGN-UHFFFAOYSA-N 1 2 351.237 3.743 40 0 FHABLO CCCc1[nH+]c2cc(NC(=O)c3cnc(C(C)(C)C)nc3)ccc2n1C ZINC000012116914 570719636 /nfs/dbraw/zinc/71/96/36/570719636.db2.gz DCWVFHNLNZMEKI-UHFFFAOYSA-N 1 2 351.454 3.866 40 0 FHABLO COc1cc([C@@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc(OC)c1OC ZINC000012188515 570725328 /nfs/dbraw/zinc/72/53/28/570725328.db2.gz DAIKHWDOFCBERT-GOSISDBHSA-N 1 2 373.840 3.552 40 0 FHABLO Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC000019240152 570884310 /nfs/dbraw/zinc/88/43/10/570884310.db2.gz LDHCAHWORXONSH-UKRRQHHQSA-N 1 2 360.508 3.761 40 0 FHABLO Fc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)cc1F ZINC000019292828 570884792 /nfs/dbraw/zinc/88/47/92/570884792.db2.gz BYIXXDKPYIFJGI-IFXJQAMLSA-N 1 2 356.420 3.617 40 0 FHABLO Fc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)cc1F ZINC000019292828 570884793 /nfs/dbraw/zinc/88/47/93/570884793.db2.gz BYIXXDKPYIFJGI-IFXJQAMLSA-N 1 2 356.420 3.617 40 0 FHABLO c1[nH+]cn(Cc2ccccc2)c1CN(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019372921 570888046 /nfs/dbraw/zinc/88/80/46/570888046.db2.gz GBRKTLQJMAACKH-QFIPXVFZSA-N 1 2 362.477 3.508 40 0 FHABLO COc1cccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[nH]2)c1 ZINC000019565186 570894243 /nfs/dbraw/zinc/89/42/43/570894243.db2.gz KVHZVXXJENCAGX-LJQANCHMSA-N 1 2 362.433 3.590 40 0 FHABLO COc1cccc(C[N@H+]2CCC[C@@H]2c2nc(-c3cccnc3)cc(=O)[nH]2)c1 ZINC000019565186 570894246 /nfs/dbraw/zinc/89/42/46/570894246.db2.gz KVHZVXXJENCAGX-LJQANCHMSA-N 1 2 362.433 3.590 40 0 FHABLO CCCn1nc(C)c(-c2c[nH+]cn2CCn2nc(C)c(Cl)c2C)c1C ZINC000019654630 570896884 /nfs/dbraw/zinc/89/68/84/570896884.db2.gz FSAKQEAXXPKYIF-UHFFFAOYSA-N 1 2 360.893 3.940 40 0 FHABLO COc1cc2ccccc2cc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020493679 570918740 /nfs/dbraw/zinc/91/87/40/570918740.db2.gz NAEBHAKDNAXMQC-UHFFFAOYSA-N 1 2 357.413 3.964 40 0 FHABLO Cc1ccc(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1Cl ZINC000224188879 570980443 /nfs/dbraw/zinc/98/04/43/570980443.db2.gz MLQDDNASVUMILZ-UHFFFAOYSA-N 1 2 369.852 3.702 40 0 FHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccco5)CCO4)nnn3c2)cc1 ZINC000306141329 571041916 /nfs/dbraw/zinc/04/19/16/571041916.db2.gz VSBPDBHFBZSFQN-NRFANRHFSA-N 1 2 374.444 3.871 40 0 FHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccco5)CCO4)nnn3c2)cc1 ZINC000306141329 571041922 /nfs/dbraw/zinc/04/19/22/571041922.db2.gz VSBPDBHFBZSFQN-NRFANRHFSA-N 1 2 374.444 3.871 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306144321 571043072 /nfs/dbraw/zinc/04/30/72/571043072.db2.gz ZCEPWCZINWGQTG-LPHOPBHVSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306144321 571043074 /nfs/dbraw/zinc/04/30/74/571043074.db2.gz ZCEPWCZINWGQTG-LPHOPBHVSA-N 1 2 371.483 3.763 40 0 FHABLO O=C(COc1ccccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000075245274 571084435 /nfs/dbraw/zinc/08/44/35/571084435.db2.gz ICEIHANVRUAMEG-RMKNXTFCSA-N 1 2 370.880 3.576 40 0 FHABLO Oc1c(Cl)cc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1Cl ZINC000328992498 571106555 /nfs/dbraw/zinc/10/65/55/571106555.db2.gz IVXVZEHNFLDEKP-UHFFFAOYSA-N 1 2 351.237 3.528 40 0 FHABLO c1csc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329021352 571107347 /nfs/dbraw/zinc/10/73/47/571107347.db2.gz OGIQKTCGZKUSON-UHFFFAOYSA-N 1 2 365.506 3.801 40 0 FHABLO CCNc1nc(Nc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329067281 571109434 /nfs/dbraw/zinc/10/94/34/571109434.db2.gz YHHAYZXXWDIJRA-UHFFFAOYSA-N 1 2 369.266 3.925 40 0 FHABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)ccc1Cl ZINC000329063825 571109456 /nfs/dbraw/zinc/10/94/56/571109456.db2.gz XFKIKRZOPQNUMH-UHFFFAOYSA-N 1 2 354.841 3.675 40 0 FHABLO COc1cccc(C[N@H+]2Cc3cccn3[C@@H](COCc3ccccn3)C2)c1 ZINC000247922759 571126190 /nfs/dbraw/zinc/12/61/90/571126190.db2.gz YGEZRDGYKJVVPS-OAQYLSRUSA-N 1 2 363.461 3.665 40 0 FHABLO COc1cccc(C[N@@H+]2Cc3cccn3[C@@H](COCc3ccccn3)C2)c1 ZINC000247922759 571126191 /nfs/dbraw/zinc/12/61/91/571126191.db2.gz YGEZRDGYKJVVPS-OAQYLSRUSA-N 1 2 363.461 3.665 40 0 FHABLO CC(C)CNc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)C3CCC3)C2)cc[nH+]1 ZINC000257224627 571151917 /nfs/dbraw/zinc/15/19/17/571151917.db2.gz FCPJONQGWWWFHE-QGZVFWFLSA-N 1 2 367.497 3.656 40 0 FHABLO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000257314962 571161136 /nfs/dbraw/zinc/16/11/36/571161136.db2.gz UZHMLGMZRVNSJO-OAHLLOKOSA-N 1 2 366.494 3.760 40 0 FHABLO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000257314962 571161138 /nfs/dbraw/zinc/16/11/38/571161138.db2.gz UZHMLGMZRVNSJO-OAHLLOKOSA-N 1 2 366.494 3.760 40 0 FHABLO Cn1cnc(C[N@@H+]2CCC[C@H](c3nccnc3Oc3ccccc3F)C2)c1 ZINC000257328710 571162673 /nfs/dbraw/zinc/16/26/73/571162673.db2.gz XGUMQLANINEVJH-HNNXBMFYSA-N 1 2 367.428 3.521 40 0 FHABLO Cn1cnc(C[N@H+]2CCC[C@H](c3nccnc3Oc3ccccc3F)C2)c1 ZINC000257328710 571162675 /nfs/dbraw/zinc/16/26/75/571162675.db2.gz XGUMQLANINEVJH-HNNXBMFYSA-N 1 2 367.428 3.521 40 0 FHABLO c1ccc(CC[N@@H+]2CCCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377568 571186505 /nfs/dbraw/zinc/18/65/05/571186505.db2.gz WHHJWVKXOVKZHJ-IBGZPJMESA-N 1 2 360.465 3.780 40 0 FHABLO c1ccc(CC[N@H+]2CCCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377568 571186507 /nfs/dbraw/zinc/18/65/07/571186507.db2.gz WHHJWVKXOVKZHJ-IBGZPJMESA-N 1 2 360.465 3.780 40 0 FHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072378953 571187227 /nfs/dbraw/zinc/18/72/27/571187227.db2.gz YTVIYNZXSGRRCG-KRWDZBQOSA-N 1 2 352.482 3.726 40 0 FHABLO Cc1cccc2cc3c(nc12)OCC[N@H+](CCc1ccc2c(c1)OCO2)C3 ZINC000072392269 571189964 /nfs/dbraw/zinc/18/99/64/571189964.db2.gz PGOIGAGSRUGMKA-UHFFFAOYSA-N 1 2 362.429 3.709 40 0 FHABLO Cc1cccc2cc3c(nc12)OCC[N@@H+](CCc1ccc2c(c1)OCO2)C3 ZINC000072392269 571189965 /nfs/dbraw/zinc/18/99/65/571189965.db2.gz PGOIGAGSRUGMKA-UHFFFAOYSA-N 1 2 362.429 3.709 40 0 FHABLO C[C@@H]1[C@H](c2ccccc2O)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000073274840 571200596 /nfs/dbraw/zinc/20/05/96/571200596.db2.gz JKQJZONEAFJYTO-PZVFOTJXSA-N 1 2 353.418 3.703 40 0 FHABLO Cc1ccccc1CC(=O)N1C[C@@H]2c3[nH+]cc(-c4ccsc4)n3C[C@@H]2C1 ZINC000306123316 571212891 /nfs/dbraw/zinc/21/28/91/571212891.db2.gz AJVIEEAJDCGOSW-ROUUACIJSA-N 1 2 363.486 3.718 40 0 FHABLO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000257367400 571217885 /nfs/dbraw/zinc/21/78/85/571217885.db2.gz INXUSRUAMUXTRN-SCAVEHSPSA-N 1 2 367.493 3.931 40 0 FHABLO Fc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)cc1F ZINC000585105455 571223754 /nfs/dbraw/zinc/22/37/54/571223754.db2.gz WYAQKQSYWKBHQV-INIZCTEOSA-N 1 2 362.445 3.637 40 0 FHABLO Cc1cccc(C[NH+]2CC3(C2)C[C@H](OCc2cccc(C)n2)CCO3)c1 ZINC000585105279 571224300 /nfs/dbraw/zinc/22/43/00/571224300.db2.gz SCFYYHVJRURNJV-OAQYLSRUSA-N 1 2 352.478 3.649 40 0 FHABLO C[C@@H](c1ccccc1)[N@@H+]1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 ZINC000585112910 571226279 /nfs/dbraw/zinc/22/62/79/571226279.db2.gz WQGBQQBKQGBLIA-CVEARBPZSA-N 1 2 353.466 3.666 40 0 FHABLO C[C@@H](c1ccccc1)[N@H+]1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 ZINC000585112910 571226281 /nfs/dbraw/zinc/22/62/81/571226281.db2.gz WQGBQQBKQGBLIA-CVEARBPZSA-N 1 2 353.466 3.666 40 0 FHABLO Cc1ccccc1CSCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000008571112 571302019 /nfs/dbraw/zinc/30/20/19/571302019.db2.gz DVHREPLYHICAHS-UHFFFAOYSA-N 1 2 354.519 3.573 40 0 FHABLO CCOc1ccc(-c2nnc([C@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc1OC ZINC000095534060 571331330 /nfs/dbraw/zinc/33/13/30/571331330.db2.gz FDURKLWBWFNUJN-MRXNPFEDSA-N 1 2 358.829 3.581 40 0 FHABLO CCOc1ccc(-c2n[nH]c([C@@H]([NH3+])Cc3ccccc3)n2)cc1OCC ZINC000095534937 571331386 /nfs/dbraw/zinc/33/13/86/571331386.db2.gz KSZCRRSTDICFDG-INIZCTEOSA-N 1 2 352.438 3.512 40 0 FHABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(Cl)c3)[nH]2)cc1OC ZINC000095534231 571331412 /nfs/dbraw/zinc/33/14/12/571331412.db2.gz PBXLIBICRJVABI-MRXNPFEDSA-N 1 2 358.829 3.581 40 0 FHABLO Cc1ccc2c(cc(C(=O)NCCc3[nH]c4cc(C)c(C)cc4[nH+]3)n2C)c1 ZINC000035316910 204239750 /nfs/dbraw/zinc/23/97/50/204239750.db2.gz YUCCAXDXASNVGP-UHFFFAOYSA-N 1 2 360.461 3.952 40 0 FHABLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)cn1 ZINC000035426243 204263739 /nfs/dbraw/zinc/26/37/39/204263739.db2.gz RZWFGWWCEHXPID-KRWDZBQOSA-N 1 2 367.428 3.674 40 0 biogenic,in-vitro FHABLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)cn1 ZINC000035426243 204263743 /nfs/dbraw/zinc/26/37/43/204263743.db2.gz RZWFGWWCEHXPID-KRWDZBQOSA-N 1 2 367.428 3.674 40 0 biogenic,in-vitro FHABLO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]2C)c1 ZINC000036743798 205021561 /nfs/dbraw/zinc/02/15/61/205021561.db2.gz UNIQDOGKVALDTM-VLIAUNLRSA-N 1 2 366.461 3.838 40 0 FHABLO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3[C@H]2C)c1 ZINC000036743798 205021565 /nfs/dbraw/zinc/02/15/65/205021565.db2.gz UNIQDOGKVALDTM-VLIAUNLRSA-N 1 2 366.461 3.838 40 0 FHABLO O=C(NCCCc1ccc(Cl)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044906431 205114356 /nfs/dbraw/zinc/11/43/56/205114356.db2.gz XZPCTHIROIXADZ-UHFFFAOYSA-N 1 2 353.853 3.947 40 0 FHABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000001380396 206150109 /nfs/dbraw/zinc/15/01/09/206150109.db2.gz OLLOGQJEBUSSNE-UHFFFAOYSA-N 1 2 373.453 3.510 40 0 FHABLO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3cccs3)n2)cc1F ZINC000015674332 206316098 /nfs/dbraw/zinc/31/60/98/206316098.db2.gz YFNRPGAIWVFPIG-CJNGLKHVSA-N 1 2 359.426 3.554 40 0 biogenic,in-vitro FHABLO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3cccs3)n2)cc1F ZINC000015674332 206316100 /nfs/dbraw/zinc/31/61/00/206316100.db2.gz YFNRPGAIWVFPIG-CJNGLKHVSA-N 1 2 359.426 3.554 40 0 biogenic,in-vitro FHABLO Cc1nc(C[N@H+]2[C@H](c3ccc(F)cc3)C[C@H]3NC(=O)CCCC[C@@H]32)cs1 ZINC000257270968 206613673 /nfs/dbraw/zinc/61/36/73/206613673.db2.gz MWJCRGJBHOIKCT-QYZOEREBSA-N 1 2 373.497 3.965 40 0 FHABLO Cc1nc(C[N@@H+]2[C@H](c3ccc(F)cc3)C[C@H]3NC(=O)CCCC[C@@H]32)cs1 ZINC000257270968 206613676 /nfs/dbraw/zinc/61/36/76/206613676.db2.gz MWJCRGJBHOIKCT-QYZOEREBSA-N 1 2 373.497 3.965 40 0 FHABLO Cc1cccc(Nc2nc(N3CCCCC3)[nH+]c(N3CCCCC3)n2)c1 ZINC000000856749 132251964 /nfs/dbraw/zinc/25/19/64/132251964.db2.gz ZPHWBMFZZUNXAS-UHFFFAOYSA-N 1 2 352.486 3.904 40 0 FHABLO Cc1nc(N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)cc[nH+]1 ZINC000257237574 132295551 /nfs/dbraw/zinc/29/55/51/132295551.db2.gz HHCNYQVFVRNPCG-INIZCTEOSA-N 1 2 352.413 3.887 40 0 FHABLO C[C@H](SCc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020238759 263379232 /nfs/dbraw/zinc/37/92/32/263379232.db2.gz GDPLPJCGEPYRSL-SFHVURJKSA-N 1 2 354.519 3.653 40 0 FHABLO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccccc4F)C[C@H]3F)nc2c1 ZINC000096112306 560060906 /nfs/dbraw/zinc/06/09/06/560060906.db2.gz XOIJTMCOMJXNLM-APWZRJJASA-N 1 2 357.404 3.750 40 0 biogenic,in-vitro FHABLO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccccc4F)C[C@H]3F)nc2c1 ZINC000096112306 560060908 /nfs/dbraw/zinc/06/09/08/560060908.db2.gz XOIJTMCOMJXNLM-APWZRJJASA-N 1 2 357.404 3.750 40 0 biogenic,in-vitro FHABLO Cc1sc2[nH]c([C@H](C)[N@@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)nc(=O)c2c1C ZINC000329939751 570665497 /nfs/dbraw/zinc/66/54/97/570665497.db2.gz FVVYZAYQDVVNLG-PQFRYHKHSA-N 1 2 360.483 3.711 40 0 FHABLO Cc1sc2[nH]c([C@H](C)[N@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)nc(=O)c2c1C ZINC000329939751 570665498 /nfs/dbraw/zinc/66/54/98/570665498.db2.gz FVVYZAYQDVVNLG-PQFRYHKHSA-N 1 2 360.483 3.711 40 0 FHABLO Cc1cc(-c2cnc(NCCCn3cc[nH+]c3)nc2-c2ccoc2C)on1 ZINC000012088362 570717696 /nfs/dbraw/zinc/71/76/96/570717696.db2.gz BYLAMZIKYPOQKS-UHFFFAOYSA-N 1 2 364.409 3.707 40 0 FHABLO CCCc1[nH+]c2cc(NC(=O)c3cc(-c4ccccn4)[nH]n3)ccc2n1C ZINC000012116910 570719667 /nfs/dbraw/zinc/71/96/67/570719667.db2.gz LEGLVNGCGOMBHA-UHFFFAOYSA-N 1 2 360.421 3.563 40 0 FHABLO COc1ccc(C[N@@H+](Cc2cccc(C)n2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012118236 570720189 /nfs/dbraw/zinc/72/01/89/570720189.db2.gz UERAUDMGODVSFF-FQEVSTJZSA-N 1 2 356.466 3.588 40 0 FHABLO COc1ccc(C[N@H+](Cc2cccc(C)n2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012118236 570720195 /nfs/dbraw/zinc/72/01/95/570720195.db2.gz UERAUDMGODVSFF-FQEVSTJZSA-N 1 2 356.466 3.588 40 0 FHABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3cccnc3)cc2n1 ZINC000012223018 570729564 /nfs/dbraw/zinc/72/95/64/570729564.db2.gz KBLKFRRCZICVQI-OAHLLOKOSA-N 1 2 361.371 3.789 40 0 FHABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3cccnc3)cc2n1 ZINC000012223018 570729567 /nfs/dbraw/zinc/72/95/67/570729567.db2.gz KBLKFRRCZICVQI-OAHLLOKOSA-N 1 2 361.371 3.789 40 0 FHABLO CCCc1[nH+]c2cc(NC(=O)[C@H]3OCOc4ccccc43)ccc2n1C ZINC000013996112 570801016 /nfs/dbraw/zinc/80/10/16/570801016.db2.gz RWMITWHBANNNBK-IBGZPJMESA-N 1 2 351.406 3.572 40 0 FHABLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1ccc(F)cc1 ZINC000019291207 570884842 /nfs/dbraw/zinc/88/48/42/570884842.db2.gz WXBGKAAWALLTJY-GOSISDBHSA-N 1 2 366.371 3.699 40 0 FHABLO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)c(OC)c1OC ZINC000019291072 570884849 /nfs/dbraw/zinc/88/48/49/570884849.db2.gz BJKYQHSUTHAPAS-KRWDZBQOSA-N 1 2 359.470 3.563 40 0 FHABLO COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccn(C)n2)c(OC)c1OC ZINC000019291072 570884850 /nfs/dbraw/zinc/88/48/50/570884850.db2.gz BJKYQHSUTHAPAS-KRWDZBQOSA-N 1 2 359.470 3.563 40 0 FHABLO COc1cc2sc(NC(=O)CCCn3cc[nH+]c3)nc2cc1Cl ZINC000019550663 570892718 /nfs/dbraw/zinc/89/27/18/570892718.db2.gz VUMUIWOZNVKUFH-UHFFFAOYSA-N 1 2 350.831 3.574 40 0 FHABLO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1nnc(-c2scnc2C)o1 ZINC000019563053 570893806 /nfs/dbraw/zinc/89/38/06/570893806.db2.gz ZCQJVPKFDYLUJL-CQSZACIVSA-N 1 2 356.451 3.847 40 0 FHABLO COc1ccccc1C[N@H+]1CCC[C@@H]1c1nnc(-c2scnc2C)o1 ZINC000019563053 570893810 /nfs/dbraw/zinc/89/38/10/570893810.db2.gz ZCQJVPKFDYLUJL-CQSZACIVSA-N 1 2 356.451 3.847 40 0 FHABLO CC[N@H+](CCCNC(=O)c1cccc(OC)c1OC)c1ccc(C)cc1 ZINC000225049875 571011539 /nfs/dbraw/zinc/01/15/39/571011539.db2.gz CFCXUFGRNROWPJ-UHFFFAOYSA-N 1 2 356.466 3.659 40 0 FHABLO CC[N@@H+](CCCNC(=O)c1cccc(OC)c1OC)c1ccc(C)cc1 ZINC000225049875 571011544 /nfs/dbraw/zinc/01/15/44/571011544.db2.gz CFCXUFGRNROWPJ-UHFFFAOYSA-N 1 2 356.466 3.659 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306138793 571040797 /nfs/dbraw/zinc/04/07/97/571040797.db2.gz SHSLKPLPLQUPTJ-QFBILLFUSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306138793 571040801 /nfs/dbraw/zinc/04/08/01/571040801.db2.gz SHSLKPLPLQUPTJ-QFBILLFUSA-N 1 2 371.483 3.763 40 0 FHABLO c1coc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5cccs5)ccc34)C2)c1 ZINC000306139092 571040994 /nfs/dbraw/zinc/04/09/94/571040994.db2.gz SPDKEEDYXDPGLV-KRWDZBQOSA-N 1 2 366.446 3.624 40 0 FHABLO c1coc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5cccs5)ccc34)C2)c1 ZINC000306139092 571040996 /nfs/dbraw/zinc/04/09/96/571040996.db2.gz SPDKEEDYXDPGLV-KRWDZBQOSA-N 1 2 366.446 3.624 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306143150 571042629 /nfs/dbraw/zinc/04/26/29/571042629.db2.gz XUOQUMGRIBXSRD-VQIMIIECSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306143150 571042631 /nfs/dbraw/zinc/04/26/31/571042631.db2.gz XUOQUMGRIBXSRD-VQIMIIECSA-N 1 2 371.483 3.763 40 0 FHABLO COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000030939100 571052602 /nfs/dbraw/zinc/05/26/02/571052602.db2.gz OLFOLIPPMTXYLQ-UHFFFAOYSA-N 1 2 369.808 3.624 40 0 FHABLO CC(C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328994509 571106536 /nfs/dbraw/zinc/10/65/36/571106536.db2.gz JEYZINDOROFXTK-UHFFFAOYSA-N 1 2 352.360 3.660 40 0 FHABLO CC[C@H](C)Nc1nc(NCc2ccccc2Cl)cc(-c2ccncc2)[nH+]1 ZINC000329052636 571108686 /nfs/dbraw/zinc/10/86/86/571108686.db2.gz VDCOWRRHEWAYCY-AWEZNQCLSA-N 1 2 367.884 3.858 40 0 FHABLO CC[C@H](C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329057760 571109170 /nfs/dbraw/zinc/10/91/70/571109170.db2.gz VYMKASGNAJTROQ-AWEZNQCLSA-N 1 2 367.884 3.858 40 0 FHABLO CC[C@@H](C)Nc1nc(NCc2ccccc2Cl)cc(-c2cccnc2)[nH+]1 ZINC000329064690 571109389 /nfs/dbraw/zinc/10/93/89/571109389.db2.gz XLTRBIDTZWTGQK-CQSZACIVSA-N 1 2 367.884 3.858 40 0 FHABLO Cc1noc(C)c1-c1cccc([C@H]2C[N@H+](Cc3ccncc3C)CCO2)n1 ZINC000257271145 571156581 /nfs/dbraw/zinc/15/65/81/571156581.db2.gz MXARIFKTAXVVQM-HXUWFJFHSA-N 1 2 364.449 3.630 40 0 FHABLO Cc1noc(C)c1-c1cccc([C@H]2C[N@@H+](Cc3ccncc3C)CCO2)n1 ZINC000257271145 571156585 /nfs/dbraw/zinc/15/65/85/571156585.db2.gz MXARIFKTAXVVQM-HXUWFJFHSA-N 1 2 364.449 3.630 40 0 FHABLO Cc1cnc(-c2nnc([C@H]3CCCC[N@@H+]3Cc3ccccc3F)o2)cn1 ZINC000257302574 571159872 /nfs/dbraw/zinc/15/98/72/571159872.db2.gz SDLKQHYGLAJZTK-QGZVFWFLSA-N 1 2 353.401 3.701 40 0 FHABLO Cc1cnc(-c2nnc([C@H]3CCCC[N@H+]3Cc3ccccc3F)o2)cn1 ZINC000257302574 571159873 /nfs/dbraw/zinc/15/98/73/571159873.db2.gz SDLKQHYGLAJZTK-QGZVFWFLSA-N 1 2 353.401 3.701 40 0 FHABLO Cc1onc(C(C)C)c1C(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257316604 571161122 /nfs/dbraw/zinc/16/11/22/571161122.db2.gz VGGOLIKJMCHJPN-MRXNPFEDSA-N 1 2 350.422 3.700 40 0 FHABLO CCn1cc(C(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)c2ccccc21 ZINC000257327134 571162402 /nfs/dbraw/zinc/16/24/02/571162402.db2.gz XACACVPIAQSFFI-MRXNPFEDSA-N 1 2 350.466 3.723 40 0 FHABLO Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@@H+]1Cc1cccc2cccnc21 ZINC000072336922 571178948 /nfs/dbraw/zinc/17/89/48/571178948.db2.gz WZCOXEAZTMZUBI-PKOBYXMFSA-N 1 2 355.445 3.848 40 0 FHABLO Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@H+]1Cc1cccc2cccnc21 ZINC000072336922 571178949 /nfs/dbraw/zinc/17/89/49/571178949.db2.gz WZCOXEAZTMZUBI-PKOBYXMFSA-N 1 2 355.445 3.848 40 0 FHABLO COc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nnc(-c2ccccn2)o1 ZINC000072344718 571179778 /nfs/dbraw/zinc/17/97/78/571179778.db2.gz OSPNYESELTVMMK-QGZVFWFLSA-N 1 2 350.422 3.867 40 0 FHABLO COc1ccccc1C[N@H+]1CCCC[C@@H]1c1nnc(-c2ccccn2)o1 ZINC000072344718 571179780 /nfs/dbraw/zinc/17/97/80/571179780.db2.gz OSPNYESELTVMMK-QGZVFWFLSA-N 1 2 350.422 3.867 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000072362988 571184648 /nfs/dbraw/zinc/18/46/48/571184648.db2.gz ZCAVKEPMLPUACD-CQSZACIVSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000072362988 571184651 /nfs/dbraw/zinc/18/46/51/571184651.db2.gz ZCAVKEPMLPUACD-CQSZACIVSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000072362988 571184655 /nfs/dbraw/zinc/18/46/55/571184655.db2.gz ZCAVKEPMLPUACD-CQSZACIVSA-N 1 2 353.401 3.511 40 0 FHABLO c1cnc(Nc2nccc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)n2)nc1 ZINC000072377842 571186448 /nfs/dbraw/zinc/18/64/48/571186448.db2.gz UDFCJMSBSMAHLW-QGZVFWFLSA-N 1 2 352.486 3.770 40 0 FHABLO c1cnc(Nc2nccc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)n2)nc1 ZINC000072377842 571186450 /nfs/dbraw/zinc/18/64/50/571186450.db2.gz UDFCJMSBSMAHLW-QGZVFWFLSA-N 1 2 352.486 3.770 40 0 FHABLO O=C(c1ccsc1)N1Cc2cccn2C[C@@H](CCNc2cccc[nH+]2)C1 ZINC000585095596 571220771 /nfs/dbraw/zinc/22/07/71/571220771.db2.gz ZPEPWWHRUROZQC-MRXNPFEDSA-N 1 2 366.490 3.719 40 0 FHABLO C[C@@H](c1ccccc1)[N@@H+]1CCc2oc(C(=O)N(C)C3CC(C)C3)nc2C1 ZINC000585112443 571226003 /nfs/dbraw/zinc/22/60/03/571226003.db2.gz PVOOVRFBZMUBHN-CKDBGZEDSA-N 1 2 353.466 3.664 40 0 FHABLO C[C@@H](c1ccccc1)[N@H+]1CCc2oc(C(=O)N(C)C3CC(C)C3)nc2C1 ZINC000585112443 571226004 /nfs/dbraw/zinc/22/60/04/571226004.db2.gz PVOOVRFBZMUBHN-CKDBGZEDSA-N 1 2 353.466 3.664 40 0 FHABLO CCOc1ccccc1NC(=S)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225452848 209811872 /nfs/dbraw/zinc/81/18/72/209811872.db2.gz REYVZBLQMYKGBW-UHFFFAOYSA-N 1 2 352.463 3.758 40 0 FHABLO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000001336590 209388144 /nfs/dbraw/zinc/38/81/44/209388144.db2.gz JOQGFSCCNCLRAG-UHFFFAOYSA-N 1 2 354.425 3.668 40 0 FHABLO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000001336991 209387843 /nfs/dbraw/zinc/38/78/43/209387843.db2.gz AVGYSVIOZVFFKH-UHFFFAOYSA-N 1 2 362.473 3.709 40 0 FHABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)[nH]n2c1=O ZINC000012276372 207354147 /nfs/dbraw/zinc/35/41/47/207354147.db2.gz LEFNFKYOZNCZSY-AWEZNQCLSA-N 1 2 372.419 3.573 40 0 FHABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)[nH]n2c1=O ZINC000012276372 207354153 /nfs/dbraw/zinc/35/41/53/207354153.db2.gz LEFNFKYOZNCZSY-AWEZNQCLSA-N 1 2 372.419 3.573 40 0 FHABLO Cc1ccc(CSCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000038754622 208206312 /nfs/dbraw/zinc/20/63/12/208206312.db2.gz OSQHFFNQEQTIDI-UHFFFAOYSA-N 1 2 351.475 3.730 40 0 FHABLO Cc1ccc(C[N@@H+]2CCc3c(nnn3C)[C@@H]2COCc2ccccc2)s1 ZINC000096060526 209105063 /nfs/dbraw/zinc/10/50/63/209105063.db2.gz XYQZHBIYDLQUBP-IBGZPJMESA-N 1 2 368.506 3.501 40 0 FHABLO Cc1ccc(C[N@H+]2CCc3c(nnn3C)[C@@H]2COCc2ccccc2)s1 ZINC000096060526 209105061 /nfs/dbraw/zinc/10/50/61/209105061.db2.gz XYQZHBIYDLQUBP-IBGZPJMESA-N 1 2 368.506 3.501 40 0 FHABLO Cc1ccc([NH+]2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)cc1 ZINC000219867046 132275220 /nfs/dbraw/zinc/27/52/20/132275220.db2.gz BMLFOYLRNFZBGI-UHFFFAOYSA-N 1 2 365.521 3.854 40 0 FHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669806 136129806 /nfs/dbraw/zinc/12/98/06/136129806.db2.gz KWHJYBDMLGXOGW-SFHVURJKSA-N 1 2 370.545 3.708 40 0 FHABLO Cc1ccc2[nH+]c3n(c2c1)CN(Cc1ccccc1)CN3C[C@@H]1CCCO1 ZINC000007496207 263351477 /nfs/dbraw/zinc/35/14/77/263351477.db2.gz LOZRDSRTIKXLPH-IBGZPJMESA-N 1 2 362.477 3.761 40 0 FHABLO CCSc1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020452771 521777844 /nfs/dbraw/zinc/77/78/44/521777844.db2.gz PIDYIAKEIUSBIU-UHFFFAOYSA-N 1 2 356.491 3.883 40 0 FHABLO Cc1cccnc1Nc1nccnc1C1CC[NH+](Cc2cscn2)CC1 ZINC000257279763 525544843 /nfs/dbraw/zinc/54/48/43/525544843.db2.gz OIBNSZHAWZQSIW-UHFFFAOYSA-N 1 2 366.494 3.760 40 0 FHABLO C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000216448227 568123775 /nfs/dbraw/zinc/12/37/75/568123775.db2.gz RABFTYNQWUZIOW-AWEZNQCLSA-N 1 2 355.825 3.609 40 0 FHABLO Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000223399342 568650704 /nfs/dbraw/zinc/65/07/04/568650704.db2.gz WDNOOMZKOINEDD-LJQANCHMSA-N 1 2 366.505 3.935 40 0 FHABLO Cc1cc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]c1N1CCOCC1 ZINC000072219368 570534343 /nfs/dbraw/zinc/53/43/43/570534343.db2.gz XKDWKFSXRHWGJJ-KRWDZBQOSA-N 1 2 361.486 3.689 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2c[nH+]c(N(C)C)c(C)c2)cc1 ZINC000072218658 570534571 /nfs/dbraw/zinc/53/45/71/570534571.db2.gz UNXGYQDWHFCDOQ-LJQANCHMSA-N 1 2 373.522 3.680 40 0 FHABLO O=C(Nc1ccccc1C[NH+]1CCCCC1)c1cc(C(F)(F)F)n[nH]1 ZINC000019349084 570886886 /nfs/dbraw/zinc/88/68/86/570886886.db2.gz DJDBJBIUWUOKFU-UHFFFAOYSA-N 1 2 352.360 3.667 40 0 FHABLO C[C@@H](CCc1ccc(F)cc1)NC(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000019455763 570889571 /nfs/dbraw/zinc/88/95/71/570889571.db2.gz SGEDPBOJGXBLIU-INIZCTEOSA-N 1 2 351.425 3.822 40 0 FHABLO COc1ccc(OC)c(C[N@@H+]2CCO[C@@H](c3cc4ccccc4cn3)C2)c1 ZINC000019551621 570892558 /nfs/dbraw/zinc/89/25/58/570892558.db2.gz YYHQDZATTFWYRI-JOCHJYFZSA-N 1 2 364.445 3.826 40 0 FHABLO COc1ccc(OC)c(C[N@H+]2CCO[C@@H](c3cc4ccccc4cn3)C2)c1 ZINC000019551621 570892559 /nfs/dbraw/zinc/89/25/59/570892559.db2.gz YYHQDZATTFWYRI-JOCHJYFZSA-N 1 2 364.445 3.826 40 0 FHABLO Cc1ccn(CCNc2cc(Cc3c(C)[nH]c4ccccc43)[nH+]c(C)n2)n1 ZINC000019655813 570896876 /nfs/dbraw/zinc/89/68/76/570896876.db2.gz WCUXJGYTYZSWJX-UHFFFAOYSA-N 1 2 360.465 3.783 40 0 FHABLO Cc1nn(C)c(C)c1CCn1c[nH+]cc1-c1ccc2c(c1)CC[C@H](C)N2C ZINC000019719343 570900851 /nfs/dbraw/zinc/90/08/51/570900851.db2.gz HLIXBPNLAWXROZ-HNNXBMFYSA-N 1 2 363.509 3.914 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306143536 571042596 /nfs/dbraw/zinc/04/25/96/571042596.db2.gz YFBHLAYSUFOAED-HKUYNNGSSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306143536 571042598 /nfs/dbraw/zinc/04/25/98/571042598.db2.gz YFBHLAYSUFOAED-HKUYNNGSSA-N 1 2 371.483 3.763 40 0 FHABLO FC(F)(F)c1cc(NC(=S)NCCCn2cc[nH+]c2)ccc1Cl ZINC000225520766 571042736 /nfs/dbraw/zinc/04/27/36/571042736.db2.gz CILYDRWLVBMPQO-UHFFFAOYSA-N 1 2 362.808 3.932 40 0 FHABLO Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000033710744 571085283 /nfs/dbraw/zinc/08/52/83/571085283.db2.gz TWNXXGNDLYDOKC-HEHGZKQESA-N 1 2 356.495 3.872 40 0 FHABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000328977256 571105679 /nfs/dbraw/zinc/10/56/79/571105679.db2.gz FSTYUQXXKWIONW-FQEVSTJZSA-N 1 2 362.477 3.606 40 0 FHABLO CC(C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329014848 571107378 /nfs/dbraw/zinc/10/73/78/571107378.db2.gz MZADTPOGCHWARN-UHFFFAOYSA-N 1 2 352.360 3.660 40 0 FHABLO CCc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329059655 571109214 /nfs/dbraw/zinc/10/92/14/571109214.db2.gz WIORBLIMQGAQOM-SFHVURJKSA-N 1 2 354.498 3.819 40 0 FHABLO c1ccc(CCNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329064307 571109535 /nfs/dbraw/zinc/10/95/35/571109535.db2.gz XIXTURDSVLEXIA-UHFFFAOYSA-N 1 2 358.489 3.997 40 0 FHABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](COCc3cccc(C)n3)C2)s1 ZINC000247873796 571126206 /nfs/dbraw/zinc/12/62/06/571126206.db2.gz MYCZRYYGAVMNEG-IBGZPJMESA-N 1 2 368.506 3.730 40 0 FHABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](COCc3cccc(C)n3)C2)s1 ZINC000247873796 571126207 /nfs/dbraw/zinc/12/62/07/571126207.db2.gz MYCZRYYGAVMNEG-IBGZPJMESA-N 1 2 368.506 3.730 40 0 FHABLO Clc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2ccncc2)CCO3)cc1 ZINC000253494875 571136079 /nfs/dbraw/zinc/13/60/79/571136079.db2.gz ZDLLYHNBXOORAQ-LJQANCHMSA-N 1 2 358.869 3.685 40 0 FHABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)[nH+]1 ZINC000257235879 571152696 /nfs/dbraw/zinc/15/26/96/571152696.db2.gz GZYHXNABLCHISE-QGZVFWFLSA-N 1 2 350.466 3.549 40 0 FHABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)[nH+]1 ZINC000257237234 571153159 /nfs/dbraw/zinc/15/31/59/571153159.db2.gz HFRTZVZQZUCNIG-INIZCTEOSA-N 1 2 356.470 3.784 40 0 FHABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2cc(C)cs2)c1 ZINC000257250007 571153996 /nfs/dbraw/zinc/15/39/96/571153996.db2.gz JKPXXYWIDXHSAT-INIZCTEOSA-N 1 2 353.447 3.659 40 0 FHABLO Cc1[nH+]c(C2(C)CCN(C(=O)Cc3ccc(F)cc3)CC2)c2sccn12 ZINC000257257442 571155028 /nfs/dbraw/zinc/15/50/28/571155028.db2.gz KPONAOVOLRCUEQ-UHFFFAOYSA-N 1 2 371.481 3.966 40 0 FHABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2cccc(F)c2)[nH+]1 ZINC000257258739 571155115 /nfs/dbraw/zinc/15/51/15/571155115.db2.gz KVHNIALNDDKLTJ-LJQANCHMSA-N 1 2 355.457 3.914 40 0 FHABLO Cc1cccc(Nc2cc([C@H]3CCCCN3Cc3[nH]cc[nH+]3)nc(C)n2)n1 ZINC000257272286 571156705 /nfs/dbraw/zinc/15/67/05/571156705.db2.gz NBURXNBHFRYRPR-QGZVFWFLSA-N 1 2 363.469 3.682 40 0 FHABLO CCc1nnc(Nc2cccc([C@H]3C[N@H+](CC(C)(C)C)CCO3)n2)s1 ZINC000257273464 571156866 /nfs/dbraw/zinc/15/68/66/571156866.db2.gz NGRDRRSWRLCLHA-CQSZACIVSA-N 1 2 361.515 3.659 40 0 FHABLO CCc1nnc(Nc2cccc([C@H]3C[N@@H+](CC(C)(C)C)CCO3)n2)s1 ZINC000257273464 571156869 /nfs/dbraw/zinc/15/68/69/571156869.db2.gz NGRDRRSWRLCLHA-CQSZACIVSA-N 1 2 361.515 3.659 40 0 FHABLO Cc1cnc(-c2nnc([C@@H]3CCCC[N@@H+]3Cc3ccccc3F)o2)cn1 ZINC000257302573 571159858 /nfs/dbraw/zinc/15/98/58/571159858.db2.gz SDLKQHYGLAJZTK-KRWDZBQOSA-N 1 2 353.401 3.701 40 0 FHABLO Cc1cnc(-c2nnc([C@@H]3CCCC[N@H+]3Cc3ccccc3F)o2)cn1 ZINC000257302573 571159859 /nfs/dbraw/zinc/15/98/59/571159859.db2.gz SDLKQHYGLAJZTK-KRWDZBQOSA-N 1 2 353.401 3.701 40 0 FHABLO CNc1cc([C@H]2CCCN2C(=O)c2c[nH]c3ccc(OC)cc32)cc[nH+]1 ZINC000257306711 571160097 /nfs/dbraw/zinc/16/00/97/571160097.db2.gz SVMIYEVPUZYLIG-GOSISDBHSA-N 1 2 350.422 3.591 40 0 FHABLO C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@@H](c5[nH+]ccn5C)C4)cc3c2C1 ZINC000328780926 571164067 /nfs/dbraw/zinc/16/40/67/571164067.db2.gz MRSMQLAPZWGEIB-GDBMZVCRSA-N 1 2 362.477 3.656 40 0 FHABLO Cc1ccc[nH+]c1Nc1ccc([C@H]2CCCN2C(=O)Cc2ccccn2)nc1 ZINC000072353067 571182080 /nfs/dbraw/zinc/18/20/80/571182080.db2.gz CILQHPRABAVKHD-HXUWFJFHSA-N 1 2 373.460 3.830 40 0 FHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072378864 571187196 /nfs/dbraw/zinc/18/71/96/571187196.db2.gz YIDUCDLSWBZXBM-GOSISDBHSA-N 1 2 360.461 3.850 40 0 FHABLO Cn1c[nH+]cc1CN1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072384447 571189321 /nfs/dbraw/zinc/18/93/21/571189321.db2.gz MCGODIFZVJFVEQ-GOSISDBHSA-N 1 2 369.856 3.993 40 0 FHABLO CCC(=O)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2csc(C)n2)C1 ZINC000306127087 571213443 /nfs/dbraw/zinc/21/34/43/571213443.db2.gz FOFZOWQYYTVMQS-GOSISDBHSA-N 1 2 366.490 3.580 40 0 FHABLO Cc1ccccc1C[N@H+]1CCc2oc(C(=O)N3C[C@@H](C)C[C@H](C)C3)nc2C1 ZINC000585111842 571225821 /nfs/dbraw/zinc/22/58/21/571225821.db2.gz HPNJJDHKRLHMGD-HOTGVXAUSA-N 1 2 367.493 3.659 40 0 FHABLO Cc1ccccc1C[N@@H+]1CCc2oc(C(=O)N3C[C@@H](C)C[C@H](C)C3)nc2C1 ZINC000585111842 571225822 /nfs/dbraw/zinc/22/58/22/571225822.db2.gz HPNJJDHKRLHMGD-HOTGVXAUSA-N 1 2 367.493 3.659 40 0 FHABLO Cc1cc(C)cc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000253447330 571282860 /nfs/dbraw/zinc/28/28/60/571282860.db2.gz OYSGVCJPKWNOCA-RMKNXTFCSA-N 1 2 364.489 3.540 40 0 FHABLO Fc1ccccc1C[N@@H+](Cc1ccnn1[C@@H]1CCCCO1)C[C@H]1CCCO1 ZINC000012187031 571303417 /nfs/dbraw/zinc/30/34/17/571303417.db2.gz SDBCIURBGJXRHL-CTNGQTDRSA-N 1 2 373.472 3.903 40 0 FHABLO Fc1ccccc1C[N@H+](Cc1ccnn1[C@@H]1CCCCO1)C[C@H]1CCCO1 ZINC000012187031 571303419 /nfs/dbraw/zinc/30/34/19/571303419.db2.gz SDBCIURBGJXRHL-CTNGQTDRSA-N 1 2 373.472 3.903 40 0 FHABLO Cc1nc2cc([C@@H]3CC[N@@H+](C[C@H](C)c4ccccc4)C3)[nH]n2c(=O)c1C ZINC000019555925 571303939 /nfs/dbraw/zinc/30/39/39/571303939.db2.gz OYBQMBDOBDDHAM-KBXCAEBGSA-N 1 2 350.466 3.645 40 0 FHABLO Cc1nc2cc([C@@H]3CC[N@H+](C[C@H](C)c4ccccc4)C3)[nH]n2c(=O)c1C ZINC000019555925 571303941 /nfs/dbraw/zinc/30/39/41/571303941.db2.gz OYBQMBDOBDDHAM-KBXCAEBGSA-N 1 2 350.466 3.645 40 0 FHABLO CC(C)(C)c1ccc(OCc2n[nH]c([C@H]([NH3+])c3ccc(F)cc3)n2)cc1 ZINC000095533344 571331279 /nfs/dbraw/zinc/33/12/79/571331279.db2.gz ZZAIUAPVSWQKEU-GOSISDBHSA-N 1 2 354.429 3.868 40 0 FHABLO CCOc1cc([C@H]([NH3+])c2nnc(-c3cccc(Cl)c3)[nH]2)ccc1OC ZINC000095534374 571331420 /nfs/dbraw/zinc/33/14/20/571331420.db2.gz JEZLBYVVGCBYML-INIZCTEOSA-N 1 2 358.829 3.581 40 0 FHABLO Cn1cnc(C[N@@H+]2CCC[C@@H](c3nccnc3Oc3ccccc3F)C2)c1 ZINC000257328711 210000015 /nfs/dbraw/zinc/00/00/15/210000015.db2.gz XGUMQLANINEVJH-OAHLLOKOSA-N 1 2 367.428 3.521 40 0 FHABLO Cn1cnc(C[N@H+]2CCC[C@@H](c3nccnc3Oc3ccccc3F)C2)c1 ZINC000257328711 210000019 /nfs/dbraw/zinc/00/00/19/210000019.db2.gz XGUMQLANINEVJH-OAHLLOKOSA-N 1 2 367.428 3.521 40 0 FHABLO CCc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000001336349 209388033 /nfs/dbraw/zinc/38/80/33/209388033.db2.gz SWZVQDHIPUJCHK-UHFFFAOYSA-N 1 2 368.452 3.922 40 0 FHABLO c1ccc(CCNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328963503 223127034 /nfs/dbraw/zinc/12/70/34/223127034.db2.gz BPKCMSAIJUMESG-UHFFFAOYSA-N 1 2 373.504 3.782 40 0 FHABLO O=C(c1cccc(Cl)c1)N1CCC2(C[C@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221308 209137605 /nfs/dbraw/zinc/13/76/05/209137605.db2.gz ANLZLJIXHYWSQI-KRWDZBQOSA-N 1 2 371.868 3.611 40 0 FHABLO COc1ccc(C(=O)CN(c2ccccc2OC)C2=[NH+]CCCC2)cc1 ZINC000007275444 207192675 /nfs/dbraw/zinc/19/26/75/207192675.db2.gz SUBSKZRMCSOBOE-UHFFFAOYSA-N 1 2 352.434 3.976 40 0 FHABLO Cc1csc([C@@H](Cc2cccs2)NC(=O)CCCn2cc[nH+]c2)n1 ZINC000012087876 207336408 /nfs/dbraw/zinc/33/64/08/207336408.db2.gz WEUQIZYQXLPAQS-OAHLLOKOSA-N 1 2 360.508 3.590 40 0 FHABLO O=C(NCc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000012088105 207336539 /nfs/dbraw/zinc/33/65/39/207336539.db2.gz OCVMNJVBPIWDHC-UHFFFAOYSA-N 1 2 360.392 3.732 40 0 FHABLO Cc1ccc(F)cc1NC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116329 207339561 /nfs/dbraw/zinc/33/95/61/207339561.db2.gz UTOSJJVQXPQZAL-UHFFFAOYSA-N 1 2 366.440 3.876 40 0 FHABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3cccnc3)cc2n1 ZINC000012223017 207349734 /nfs/dbraw/zinc/34/97/34/207349734.db2.gz KBLKFRRCZICVQI-HNNXBMFYSA-N 1 2 361.371 3.789 40 0 FHABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3cccnc3)cc2n1 ZINC000012223017 207349737 /nfs/dbraw/zinc/34/97/37/207349737.db2.gz KBLKFRRCZICVQI-HNNXBMFYSA-N 1 2 361.371 3.789 40 0 FHABLO COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3ccccc3[nH+]2)C[C@H]1C(C)C ZINC000072320795 208186860 /nfs/dbraw/zinc/18/68/60/208186860.db2.gz ZNFGBIGGDRQBAK-BZSNNMDCSA-N 1 2 369.509 3.723 40 0 biogenic,in-vitro FHABLO Cc1ccc([NH+]2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000219850812 132274722 /nfs/dbraw/zinc/27/47/22/132274722.db2.gz MSQSFCMIVPCVBK-UHFFFAOYSA-N 1 2 363.505 3.560 40 0 FHABLO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020452579 525924645 /nfs/dbraw/zinc/92/46/45/525924645.db2.gz MRZAFIJVVPKGFW-CQSZACIVSA-N 1 2 355.825 3.609 40 0 FHABLO C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020494742 525962710 /nfs/dbraw/zinc/96/27/10/525962710.db2.gz CEEQCOMXQZGTSL-AWEZNQCLSA-N 1 2 355.825 3.609 40 0 FHABLO CCCC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669742 534942322 /nfs/dbraw/zinc/94/23/22/534942322.db2.gz KERCTTKKZWYQRJ-SFHVURJKSA-N 1 2 374.508 3.621 40 0 FHABLO COc1ccc2nc(CO[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3F)[nH]c2c1 ZINC000096112268 560060774 /nfs/dbraw/zinc/06/07/74/560060774.db2.gz XNKAYVAJIXNHAL-XLIONFOSSA-N 1 2 369.440 3.619 40 0 biogenic,in-vitro FHABLO COc1ccc2nc(CO[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3F)[nH]c2c1 ZINC000096112268 560060775 /nfs/dbraw/zinc/06/07/75/560060775.db2.gz XNKAYVAJIXNHAL-XLIONFOSSA-N 1 2 369.440 3.619 40 0 biogenic,in-vitro FHABLO Cc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015676020 560094622 /nfs/dbraw/zinc/09/46/22/560094622.db2.gz ZWDBFKRLRJHVPZ-INIZCTEOSA-N 1 2 366.425 3.556 40 0 biogenic,in-vitro FHABLO Cc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015676020 560094624 /nfs/dbraw/zinc/09/46/24/560094624.db2.gz ZWDBFKRLRJHVPZ-INIZCTEOSA-N 1 2 366.425 3.556 40 0 biogenic,in-vitro FHABLO Cc1[nH+]c(N)nc(Nc2ccc(Br)cc2)c1Br ZINC000001675010 570503933 /nfs/dbraw/zinc/50/39/33/570503933.db2.gz DTEZDVQWXKKMCO-UHFFFAOYSA-N 1 2 358.037 3.636 40 0 FHABLO CCN(CC)c1[nH+]cccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212906 570528706 /nfs/dbraw/zinc/52/87/06/570528706.db2.gz IAFRVDORRVXJBU-LJQANCHMSA-N 1 2 373.522 3.762 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc[nH+]c2NC2CC2)cc1 ZINC000072213756 570529086 /nfs/dbraw/zinc/52/90/86/570529086.db2.gz LNCJATOZXPSULP-LJQANCHMSA-N 1 2 371.506 3.880 40 0 FHABLO CC(C)Oc1cccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000408566765 570556104 /nfs/dbraw/zinc/55/61/04/570556104.db2.gz OPXUELNEOUTVEX-UHFFFAOYSA-N 1 2 354.450 3.558 40 0 FHABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000012667008 570756013 /nfs/dbraw/zinc/75/60/13/570756013.db2.gz GNUKZBAEBKZWKR-UHFFFAOYSA-N 1 2 354.841 3.524 40 0 FHABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000012667008 570756018 /nfs/dbraw/zinc/75/60/18/570756018.db2.gz GNUKZBAEBKZWKR-UHFFFAOYSA-N 1 2 354.841 3.524 40 0 FHABLO CCCc1[nH+]c2cc(NC(=O)[C@@H]3OCOc4ccccc43)ccc2n1C ZINC000013996109 570801181 /nfs/dbraw/zinc/80/11/81/570801181.db2.gz RWMITWHBANNNBK-LJQANCHMSA-N 1 2 351.406 3.572 40 0 FHABLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c2cccc(C)c2n1 ZINC000019236724 570883582 /nfs/dbraw/zinc/88/35/82/570883582.db2.gz XPRATVCDZWNYRX-UHFFFAOYSA-N 1 2 352.463 3.548 40 0 FHABLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c2cccc(C)c2n1 ZINC000019236724 570883585 /nfs/dbraw/zinc/88/35/85/570883585.db2.gz XPRATVCDZWNYRX-UHFFFAOYSA-N 1 2 352.463 3.548 40 0 FHABLO C[NH+](C)[C@@H](C(=O)Nc1nnc(C2CCCCC2)s1)c1ccc(F)cc1 ZINC000019661329 570897424 /nfs/dbraw/zinc/89/74/24/570897424.db2.gz AYPBASVUBGWVDU-OAHLLOKOSA-N 1 2 362.474 3.966 40 0 FHABLO CCc1[nH+]c2ccccc2n1CC(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000019662491 570897919 /nfs/dbraw/zinc/89/79/19/570897919.db2.gz ZUYPVHCCZGYIHO-UHFFFAOYSA-N 1 2 370.522 3.712 40 0 FHABLO Cc1ccc(-n2cc(C[N@@H+](Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 ZINC000019664436 570897988 /nfs/dbraw/zinc/89/79/88/570897988.db2.gz DRNDWCCADCFVDC-JOCHJYFZSA-N 1 2 362.477 3.757 40 0 FHABLO Cc1ccc(-n2cc(C[N@H+](Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 ZINC000019664436 570897990 /nfs/dbraw/zinc/89/79/90/570897990.db2.gz DRNDWCCADCFVDC-JOCHJYFZSA-N 1 2 362.477 3.757 40 0 FHABLO CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000019666622 570898322 /nfs/dbraw/zinc/89/83/22/570898322.db2.gz NQEHKBFQOHIVLY-QGZVFWFLSA-N 1 2 363.461 3.875 40 0 FHABLO COc1ccc(S[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000022523644 570945565 /nfs/dbraw/zinc/94/55/65/570945565.db2.gz WQFQHFSTXDSECX-HNNXBMFYSA-N 1 2 367.474 3.678 40 0 FHABLO Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000225115285 571015882 /nfs/dbraw/zinc/01/58/82/571015882.db2.gz HHXJOSVROQEMJN-GOSISDBHSA-N 1 2 363.461 3.746 40 0 FHABLO CCOc1ccc(CCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000044851492 571103101 /nfs/dbraw/zinc/10/31/01/571103101.db2.gz FPBVMWLMFRRJCI-UHFFFAOYSA-N 1 2 363.461 3.693 40 0 FHABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328969980 571105718 /nfs/dbraw/zinc/10/57/18/571105718.db2.gz DHUUGBSGOUQWGN-INIZCTEOSA-N 1 2 364.852 3.741 40 0 FHABLO Cc1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000328988205 571106242 /nfs/dbraw/zinc/10/62/42/571106242.db2.gz IEQOMLQEHABSMB-UHFFFAOYSA-N 1 2 359.477 3.657 40 0 FHABLO CNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328986124 571106360 /nfs/dbraw/zinc/10/63/60/571106360.db2.gz HWLNVBCKWOUTLB-UHFFFAOYSA-N 1 2 360.339 3.671 40 0 FHABLO CC(C)[C@@H](CO)Nc1nc(Nc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329016856 571107462 /nfs/dbraw/zinc/10/74/62/571107462.db2.gz NIXUSFCVQGKTCT-LJQANCHMSA-N 1 2 366.440 3.877 40 0 FHABLO CC[C@H](C)Nc1nc(NCc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329027688 571107707 /nfs/dbraw/zinc/10/77/07/571107707.db2.gz PSSVPUOYBKDRSE-HNNXBMFYSA-N 1 2 350.441 3.949 40 0 FHABLO CSc1ccccc1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329039642 571108134 /nfs/dbraw/zinc/10/81/34/571108134.db2.gz RXYDVRFRVLDQPH-MRXNPFEDSA-N 1 2 358.511 3.670 40 0 FHABLO CNc1nc(Nc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329045520 571108550 /nfs/dbraw/zinc/10/85/50/571108550.db2.gz TWDNRJFFQKITGG-UHFFFAOYSA-N 1 2 360.339 3.671 40 0 FHABLO Cc1ccc(C[N@H+]2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)o1 ZINC000248052924 571127526 /nfs/dbraw/zinc/12/75/26/571127526.db2.gz BLSMRTOYAXCJDU-HXUWFJFHSA-N 1 2 358.482 3.780 40 0 FHABLO Cc1ccc(C[N@@H+]2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)o1 ZINC000248052924 571127528 /nfs/dbraw/zinc/12/75/28/571127528.db2.gz BLSMRTOYAXCJDU-HXUWFJFHSA-N 1 2 358.482 3.780 40 0 FHABLO CCOC[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2c[nH+]cn21 ZINC000253386431 571135510 /nfs/dbraw/zinc/13/55/10/571135510.db2.gz WSMXLOZCGHMKFT-HNNXBMFYSA-N 1 2 359.813 3.516 40 0 FHABLO Cc1ccc2c(c1)OC1(CC[NH+](Cc3ncc[nH]3)CC1)[C@H]1CCCO[C@H]21 ZINC000257210399 571150181 /nfs/dbraw/zinc/15/01/81/571150181.db2.gz BULLBIHXRYNVCA-FXAWDEMLSA-N 1 2 353.466 3.613 40 0 FHABLO COc1ccccc1Cc1cnc([C@@H]2CCCN2c2cc[nH+]c(C)n2)o1 ZINC000257242286 571153557 /nfs/dbraw/zinc/15/35/57/571153557.db2.gz IBUBSGGEWSURQP-KRWDZBQOSA-N 1 2 350.422 3.714 40 0 FHABLO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cscn3)C2)s1 ZINC000257265787 571155965 /nfs/dbraw/zinc/15/59/65/571155965.db2.gz MAGDMIWAYXGHEG-CYBMUJFWSA-N 1 2 372.523 3.821 40 0 FHABLO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cscn3)C2)s1 ZINC000257265787 571155969 /nfs/dbraw/zinc/15/59/69/571155969.db2.gz MAGDMIWAYXGHEG-CYBMUJFWSA-N 1 2 372.523 3.821 40 0 FHABLO O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2cccc3[nH+]ccn32)C1 ZINC000257313917 571161040 /nfs/dbraw/zinc/16/10/40/571161040.db2.gz UURGXCODFZWDQS-KRWDZBQOSA-N 1 2 356.429 3.902 40 0 FHABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257319752 571161630 /nfs/dbraw/zinc/16/16/30/571161630.db2.gz VTYHOVBEMFGRKG-ZDUSSCGKSA-N 1 2 372.523 3.821 40 0 FHABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257319752 571161632 /nfs/dbraw/zinc/16/16/32/571161632.db2.gz VTYHOVBEMFGRKG-ZDUSSCGKSA-N 1 2 372.523 3.821 40 0 FHABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)[nH+]1 ZINC000257325022 571162304 /nfs/dbraw/zinc/16/23/04/571162304.db2.gz WRCQOCFCAVFCAX-QGZVFWFLSA-N 1 2 350.466 3.846 40 0 FHABLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000067801129 571174443 /nfs/dbraw/zinc/17/44/43/571174443.db2.gz UYZZAGNHGKVPQM-AWEZNQCLSA-N 1 2 355.276 3.548 40 0 FHABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000072378507 571187082 /nfs/dbraw/zinc/18/70/82/571187082.db2.gz CDDZWUJSNZRPIL-UHFFFAOYSA-N 1 2 352.482 3.726 40 0 FHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccoc5)CCO4)nnn3c2)cc1 ZINC000306129518 571213952 /nfs/dbraw/zinc/21/39/52/571213952.db2.gz IFSCZSQNMMLYKD-NRFANRHFSA-N 1 2 374.444 3.871 40 0 FHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccoc5)CCO4)nnn3c2)cc1 ZINC000306129518 571213953 /nfs/dbraw/zinc/21/39/53/571213953.db2.gz IFSCZSQNMMLYKD-NRFANRHFSA-N 1 2 374.444 3.871 40 0 FHABLO c1cc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)co1 ZINC000306133386 571214176 /nfs/dbraw/zinc/21/41/76/571214176.db2.gz MKBJMEQWKJTVKH-FQEVSTJZSA-N 1 2 360.417 3.563 40 0 FHABLO c1cc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)co1 ZINC000306133386 571214178 /nfs/dbraw/zinc/21/41/78/571214178.db2.gz MKBJMEQWKJTVKH-FQEVSTJZSA-N 1 2 360.417 3.563 40 0 FHABLO Fc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)cc1F ZINC000585104677 571224001 /nfs/dbraw/zinc/22/40/01/571224001.db2.gz KVQFKXJSVVRVIE-INIZCTEOSA-N 1 2 362.445 3.637 40 0 FHABLO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000195547070 571265588 /nfs/dbraw/zinc/26/55/88/571265588.db2.gz WNDMBVYJDCWGJH-OKZBNKHCSA-N 1 2 368.477 3.702 40 0 FHABLO Cc1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000253445383 571282875 /nfs/dbraw/zinc/28/28/75/571282875.db2.gz GSHLXZQGIGLSNM-RMKNXTFCSA-N 1 2 364.489 3.540 40 0 FHABLO CN(C)c1ccc(/C=C/C=[NH+]/NC(=O)c2ccc(N3CCCC3)cc2)cc1 ZINC000007386471 571298927 /nfs/dbraw/zinc/29/89/27/571298927.db2.gz BLVIJFBOLKQOAN-UCNNRJBBSA-N 1 2 362.477 3.782 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000257226034 571321784 /nfs/dbraw/zinc/32/17/84/571321784.db2.gz FIWDRBRMLJFKTK-AWEZNQCLSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000257226034 571321785 /nfs/dbraw/zinc/32/17/85/571321785.db2.gz FIWDRBRMLJFKTK-AWEZNQCLSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000257226034 571321786 /nfs/dbraw/zinc/32/17/86/571321786.db2.gz FIWDRBRMLJFKTK-AWEZNQCLSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257226034 571321787 /nfs/dbraw/zinc/32/17/87/571321787.db2.gz FIWDRBRMLJFKTK-AWEZNQCLSA-N 1 2 353.401 3.511 40 0 FHABLO COc1ccc([C@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)cc1 ZINC000095533753 571331440 /nfs/dbraw/zinc/33/14/40/571331440.db2.gz SNGBZMMVWXKTPX-IBGZPJMESA-N 1 2 366.465 3.738 40 0 FHABLO Cc1[nH+]cc(-c2ncccc2C[C@H]2CCCN(C(=O)C(C)(C)C)C2)n1C ZINC000257327941 210000680 /nfs/dbraw/zinc/00/06/80/210000680.db2.gz XDLNVHDWHAGJMZ-MRXNPFEDSA-N 1 2 354.498 3.618 40 0 FHABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)c1sc(C)nc1C)C2 ZINC000257315598 209995009 /nfs/dbraw/zinc/99/50/09/209995009.db2.gz VCCDBJWKNBWVQE-INIZCTEOSA-N 1 2 352.463 3.662 40 0 FHABLO O=C(c1cc2ccccc2s1)N1Cc2c[nH+]cn2[C@@H](COCC2CC2)C1 ZINC000247955878 209920212 /nfs/dbraw/zinc/92/02/12/209920212.db2.gz VFPGVVTUDUVSEX-QGZVFWFLSA-N 1 2 367.474 3.722 40 0 FHABLO O=C(c1cccc(Cl)c1)N1CCC2(C[C@@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221306 209137930 /nfs/dbraw/zinc/13/79/30/209137930.db2.gz ANLZLJIXHYWSQI-QGZVFWFLSA-N 1 2 371.868 3.611 40 0 FHABLO C[C@H](NC(=O)C[N@H+](C)Cc1ccccn1)c1cc2cc(Cl)ccc2o1 ZINC000019458553 220260549 /nfs/dbraw/zinc/26/05/49/220260549.db2.gz CVDQBUDISPZUQO-ZDUSSCGKSA-N 1 2 357.841 3.790 40 0 FHABLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccccn1)c1cc2cc(Cl)ccc2o1 ZINC000019458553 220260555 /nfs/dbraw/zinc/26/05/55/220260555.db2.gz CVDQBUDISPZUQO-ZDUSSCGKSA-N 1 2 357.841 3.790 40 0 FHABLO Cc1ccc(-c2cc3nc4c(c(NCCCn5cc[nH+]c5)n3n2)CCC4)cc1 ZINC000004902457 207060535 /nfs/dbraw/zinc/06/05/35/207060535.db2.gz MPJGGBOURQALBM-UHFFFAOYSA-N 1 2 372.476 3.892 40 0 FHABLO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000036384553 207283055 /nfs/dbraw/zinc/28/30/55/207283055.db2.gz WNDMBVYJDCWGJH-BZSNNMDCSA-N 1 2 368.477 3.702 40 0 FHABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000012116328 207339030 /nfs/dbraw/zinc/33/90/30/207339030.db2.gz SBHBQZFTGGOGQO-UHFFFAOYSA-N 1 2 370.403 3.707 40 0 FHABLO O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCn1cc[nH+]c1 ZINC000030862336 208006783 /nfs/dbraw/zinc/00/67/83/208006783.db2.gz HMDAOFDYYQWHLM-UHFFFAOYSA-N 1 2 358.294 3.630 40 0 FHABLO COc1ccccc1NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000034929511 208117723 /nfs/dbraw/zinc/11/77/23/208117723.db2.gz LUZWMJYYNMBNIP-JXMROGBWSA-N 1 2 351.450 3.558 40 0 FHABLO CCCN1CCc2cc(-c3c[nH+]cn3CCc3c(C)nn(C)c3C)ccc21 ZINC000036752033 208171286 /nfs/dbraw/zinc/17/12/86/208171286.db2.gz ODYJAUMPBNUSTK-UHFFFAOYSA-N 1 2 363.509 3.916 40 0 FHABLO CCc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000038229610 208201852 /nfs/dbraw/zinc/20/18/52/208201852.db2.gz ASAJYMNOPWIFAC-UHFFFAOYSA-N 1 2 369.534 3.568 40 0 FHABLO CCC[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670134 136129808 /nfs/dbraw/zinc/12/98/08/136129808.db2.gz VQJBBMSPYQWNDO-IBGZPJMESA-N 1 2 356.518 3.534 40 0 FHABLO CC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669830 136129908 /nfs/dbraw/zinc/12/99/08/136129908.db2.gz AUYNJSFTFXCDPD-GOSISDBHSA-N 1 2 370.545 3.708 40 0 FHABLO CCC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669661 136129918 /nfs/dbraw/zinc/12/99/18/136129918.db2.gz RKKWKSUAABDTOA-IBGZPJMESA-N 1 2 370.545 3.708 40 0 FHABLO Cc1cccc(N2CC[N@@H+](CC(=O)Nc3cc(F)ccc3C)C[C@@H]2C)c1 ZINC000057720221 136130021 /nfs/dbraw/zinc/13/00/21/136130021.db2.gz OQLCALOGKPWBHI-KRWDZBQOSA-N 1 2 355.457 3.592 40 0 FHABLO Cc1cccc(N2CC[N@H+](CC(=O)Nc3cc(F)ccc3C)C[C@@H]2C)c1 ZINC000057720221 136130022 /nfs/dbraw/zinc/13/00/22/136130022.db2.gz OQLCALOGKPWBHI-KRWDZBQOSA-N 1 2 355.457 3.592 40 0 FHABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3C(C)C)CC2)c1 ZINC000057670217 136130063 /nfs/dbraw/zinc/13/00/63/136130063.db2.gz PXKMUKKJRNYWNQ-FQEVSTJZSA-N 1 2 370.545 3.780 40 0 FHABLO C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020493481 525962592 /nfs/dbraw/zinc/96/25/92/525962592.db2.gz YJXQYJPZFAMSTL-AWEZNQCLSA-N 1 2 355.825 3.609 40 0 FHABLO O=C(NCCCc1ccccc1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020492320 526279071 /nfs/dbraw/zinc/27/90/71/526279071.db2.gz YOMWMQIGIDUYNC-UHFFFAOYSA-N 1 2 372.896 3.535 40 0 FHABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(N2CCCCC2)cc1 ZINC000020050376 526742564 /nfs/dbraw/zinc/74/25/64/526742564.db2.gz AIKANKZQBVNHLJ-UHFFFAOYSA-N 1 2 360.461 3.793 40 0 FHABLO O=C(CSCc1ccc(F)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020452660 527022990 /nfs/dbraw/zinc/02/29/90/527022990.db2.gz ZECQKKZMSVLTIG-UHFFFAOYSA-N 1 2 355.438 3.561 40 0 FHABLO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(F)cc3)n2)cc1F ZINC000015674310 560231046 /nfs/dbraw/zinc/23/10/46/560231046.db2.gz IUYCTUVUOAJAHC-AEFFLSMTSA-N 1 2 371.387 3.631 40 0 biogenic,in-vitro FHABLO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(F)cc3)n2)cc1F ZINC000015674310 560231048 /nfs/dbraw/zinc/23/10/48/560231048.db2.gz IUYCTUVUOAJAHC-AEFFLSMTSA-N 1 2 371.387 3.631 40 0 biogenic,in-vitro FHABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000015674904 560231232 /nfs/dbraw/zinc/23/12/32/560231232.db2.gz SDIUYVUBCHWKEZ-SJORKVTESA-N 1 2 373.815 3.837 40 0 biogenic,in-vitro FHABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000015674904 560231233 /nfs/dbraw/zinc/23/12/33/560231233.db2.gz SDIUYVUBCHWKEZ-SJORKVTESA-N 1 2 373.815 3.837 40 0 biogenic,in-vitro FHABLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000022197028 568220101 /nfs/dbraw/zinc/22/01/01/568220101.db2.gz DPWBKXUOTPSOHD-QYZOEREBSA-N 1 2 367.399 3.708 40 0 FHABLO Cc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCSCC2)cc1 ZINC000057613878 568284508 /nfs/dbraw/zinc/28/45/08/568284508.db2.gz KOSBCSFWBWHETH-SFHVURJKSA-N 1 2 357.527 3.625 40 0 FHABLO Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000223399395 568650683 /nfs/dbraw/zinc/65/06/83/568650683.db2.gz WDNOOMZKOINEDD-IBGZPJMESA-N 1 2 366.505 3.935 40 0 FHABLO Nc1nc(N)c(-c2ccccc2)c(CCC(=O)Nc2ccc(Cl)cc2)[nH+]1 ZINC000001618433 570503139 /nfs/dbraw/zinc/50/31/39/570503139.db2.gz MDUQLWNJNVLIGH-UHFFFAOYSA-N 1 2 367.840 3.533 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH+]c2N2CCCC2)cc1 ZINC000072215991 570533399 /nfs/dbraw/zinc/53/33/99/570533399.db2.gz IMCVHJUIGVZIQO-LJQANCHMSA-N 1 2 371.506 3.516 40 0 FHABLO Cc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c(C)c1 ZINC000018165374 570876167 /nfs/dbraw/zinc/87/61/67/570876167.db2.gz WBPBIFBHZOFKSV-UHFFFAOYSA-N 1 2 369.534 3.622 40 0 FHABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3ccccn3)cc2n1 ZINC000019116932 570880406 /nfs/dbraw/zinc/88/04/06/570880406.db2.gz KCAOOIOTMKKPIJ-HNNXBMFYSA-N 1 2 361.371 3.789 40 0 FHABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3ccccn3)cc2n1 ZINC000019116932 570880410 /nfs/dbraw/zinc/88/04/10/570880410.db2.gz KCAOOIOTMKKPIJ-HNNXBMFYSA-N 1 2 361.371 3.789 40 0 FHABLO Cc1ccc(C[N@H+](Cc2ccncc2)Cc2ccnc(N3CCCC3)n2)cc1 ZINC000019210180 570881687 /nfs/dbraw/zinc/88/16/87/570881687.db2.gz BMBQMMKQCGEGPL-UHFFFAOYSA-N 1 2 373.504 3.983 40 0 FHABLO Cc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccnc(N3CCCC3)n2)cc1 ZINC000019210180 570881692 /nfs/dbraw/zinc/88/16/92/570881692.db2.gz BMBQMMKQCGEGPL-UHFFFAOYSA-N 1 2 373.504 3.983 40 0 FHABLO COc1cc2c(cc1OC)[C@@H](c1ccncc1)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216097 570881886 /nfs/dbraw/zinc/88/18/86/570881886.db2.gz YACONWKEVAZRAO-DENIHFKCSA-N 1 2 361.445 3.779 40 0 FHABLO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)c(OC)c1OC ZINC000019291071 570884799 /nfs/dbraw/zinc/88/47/99/570884799.db2.gz BJKYQHSUTHAPAS-QGZVFWFLSA-N 1 2 359.470 3.563 40 0 FHABLO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccn(C)n2)c(OC)c1OC ZINC000019291071 570884801 /nfs/dbraw/zinc/88/48/01/570884801.db2.gz BJKYQHSUTHAPAS-QGZVFWFLSA-N 1 2 359.470 3.563 40 0 FHABLO C[C@H](C(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)O3)cs1)n1cc[nH+]c1 ZINC000019498226 570890166 /nfs/dbraw/zinc/89/01/66/570890166.db2.gz FDKCUVZOXFDLCT-NWDGAFQWSA-N 1 2 354.435 3.530 40 0 FHABLO Cc1nn(C)c(C)c1CCn1c[nH+]cc1-c1cnn(C2CCCCC2)c1 ZINC000019654571 570896761 /nfs/dbraw/zinc/89/67/61/570896761.db2.gz GDALCDYZZUUOIF-UHFFFAOYSA-N 1 2 352.486 3.845 40 0 FHABLO O=S(=O)(NCc1ccccc1-n1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000020049067 570909426 /nfs/dbraw/zinc/90/94/26/570909426.db2.gz UMEAXDMFXSABRB-UHFFFAOYSA-N 1 2 363.442 3.504 40 0 FHABLO c1coc(C[N@@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306134665 571038959 /nfs/dbraw/zinc/03/89/59/571038959.db2.gz NUZHHGCLPBZRJA-FQEVSTJZSA-N 1 2 360.417 3.563 40 0 FHABLO c1coc(C[N@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306134665 571038963 /nfs/dbraw/zinc/03/89/63/571038963.db2.gz NUZHHGCLPBZRJA-FQEVSTJZSA-N 1 2 360.417 3.563 40 0 FHABLO FC(F)(F)c1ccc(-n2ncc3c2COC[C@@H]3[NH2+]Cc2ccoc2)cc1 ZINC000306138640 571040763 /nfs/dbraw/zinc/04/07/63/571040763.db2.gz SCXSBLJJIMYACS-INIZCTEOSA-N 1 2 363.339 3.845 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306143149 571042379 /nfs/dbraw/zinc/04/23/79/571042379.db2.gz XUOQUMGRIBXSRD-QFBILLFUSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306143149 571042380 /nfs/dbraw/zinc/04/23/80/571042380.db2.gz XUOQUMGRIBXSRD-QFBILLFUSA-N 1 2 371.483 3.763 40 0 FHABLO CC[C@@H](C)Nc1nc(Nc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000328968891 571105316 /nfs/dbraw/zinc/10/53/16/571105316.db2.gz DBCAZJHSSJLDEP-LLVKDONJSA-N 1 2 361.287 3.914 40 0 FHABLO CC(C)(C)Nc1nc(NCc2ccccc2F)cc(-c2ccncc2)[nH+]1 ZINC000329026950 571107594 /nfs/dbraw/zinc/10/75/94/571107594.db2.gz PPSBFNSEVPBSSW-UHFFFAOYSA-N 1 2 351.429 3.922 40 0 FHABLO CC[C@@H](C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccncc2)[nH+]1 ZINC000329054053 571108895 /nfs/dbraw/zinc/10/88/95/571108895.db2.gz VJINTZONBDKWOD-CQSZACIVSA-N 1 2 367.884 3.858 40 0 FHABLO COCC1=CCN(C(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)CC1 ZINC000332553371 571120325 /nfs/dbraw/zinc/12/03/25/571120325.db2.gz QSIGQXVFMFHAMA-MRXNPFEDSA-N 1 2 358.486 3.579 40 0 FHABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3C)C2)[nH+]1 ZINC000257217465 571151229 /nfs/dbraw/zinc/15/12/29/571151229.db2.gz CZBZWTAPWNMTEX-AWEZNQCLSA-N 1 2 354.429 3.677 40 0 FHABLO COc1ccc([C@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2ccsc2)cc1 ZINC000257226505 571152121 /nfs/dbraw/zinc/15/21/21/571152121.db2.gz FKWPNRQAHRPQQA-QGZVFWFLSA-N 1 2 353.447 3.659 40 0 FHABLO Cc1cnc(Nc2cc([C@H]3CCCC[N@@H+]3Cc3cc[nH]n3)nc(C)n2)s1 ZINC000257299651 571159615 /nfs/dbraw/zinc/15/96/15/571159615.db2.gz RQYNTJAPLXBYSY-MRXNPFEDSA-N 1 2 369.498 3.744 40 0 FHABLO Cc1cnc(Nc2cc([C@H]3CCCC[N@H+]3Cc3cc[nH]n3)nc(C)n2)s1 ZINC000257299651 571159616 /nfs/dbraw/zinc/15/96/16/571159616.db2.gz RQYNTJAPLXBYSY-MRXNPFEDSA-N 1 2 369.498 3.744 40 0 FHABLO Cc1ccc[nH+]c1Nc1ccc([C@@H]2CCCN2C(=O)Cc2ccccn2)nc1 ZINC000072353066 571182019 /nfs/dbraw/zinc/18/20/19/571182019.db2.gz CILQHPRABAVKHD-FQEVSTJZSA-N 1 2 373.460 3.830 40 0 FHABLO Cn1ccnc1C[NH+]1CCC(c2nccnc2Oc2ccccc2F)CC1 ZINC000072362786 571184795 /nfs/dbraw/zinc/18/47/95/571184795.db2.gz DQRKVFIEAGNECW-UHFFFAOYSA-N 1 2 367.428 3.521 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306130688 571213822 /nfs/dbraw/zinc/21/38/22/571213822.db2.gz JNAYRQDIYAATRT-IEBWSBKVSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306130688 571213826 /nfs/dbraw/zinc/21/38/26/571213826.db2.gz JNAYRQDIYAATRT-IEBWSBKVSA-N 1 2 371.483 3.763 40 0 FHABLO Fc1ccc(C[N@@H+]2CCO[C@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000019693179 571304302 /nfs/dbraw/zinc/30/43/02/571304302.db2.gz HRCYLCIGJFNMMW-IBGZPJMESA-N 1 2 367.399 3.995 40 0 FHABLO Fc1ccc(C[N@H+]2CCO[C@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000019693179 571304304 /nfs/dbraw/zinc/30/43/04/571304304.db2.gz HRCYLCIGJFNMMW-IBGZPJMESA-N 1 2 367.399 3.995 40 0 FHABLO Clc1ccc(Oc2cncc([C@@H]3CCCN3Cc3c[nH+]c[nH]3)n2)cc1 ZINC000257342502 210004784 /nfs/dbraw/zinc/00/47/84/210004784.db2.gz ZOZCBCKEBJUPQO-KRWDZBQOSA-N 1 2 355.829 3.983 40 0 FHABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2csc(C)n2)CCO3)s1 ZINC000248123307 209926438 /nfs/dbraw/zinc/92/64/38/209926438.db2.gz WBHAMCOGFSNTEO-MRXNPFEDSA-N 1 2 364.536 3.772 40 0 FHABLO O=C(CSc1ccc(Cl)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000097676743 209193840 /nfs/dbraw/zinc/19/38/40/209193840.db2.gz HWCOHXDHTHBNLB-UHFFFAOYSA-N 1 2 357.866 3.934 40 0 FHABLO Cc1cccc(C[N@@H+]2CCc3c(COCC4CC4)nn(C(C)C)c3C2)n1 ZINC000096085024 209110064 /nfs/dbraw/zinc/11/00/64/209110064.db2.gz RSXIXDZAVSQLNT-UHFFFAOYSA-N 1 2 354.498 3.652 40 0 FHABLO Cc1cccc(C[N@H+]2CCc3c(COCC4CC4)nn(C(C)C)c3C2)n1 ZINC000096085024 209110068 /nfs/dbraw/zinc/11/00/68/209110068.db2.gz RSXIXDZAVSQLNT-UHFFFAOYSA-N 1 2 354.498 3.652 40 0 FHABLO Cc1nc2c(c(N(C)Cc3ccccc3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000012183231 207345038 /nfs/dbraw/zinc/34/50/38/207345038.db2.gz OGLFNVSLALOPED-UHFFFAOYSA-N 1 2 358.489 3.980 40 0 FHABLO Cc1nc2c(c(N(C)Cc3ccccc3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012183231 207345043 /nfs/dbraw/zinc/34/50/43/207345043.db2.gz OGLFNVSLALOPED-UHFFFAOYSA-N 1 2 358.489 3.980 40 0 FHABLO CCc1sc(NC(=O)[C@@H](C)n2cc[nH+]c2)nc1-c1ccc(OC)cc1 ZINC000019521607 207676119 /nfs/dbraw/zinc/67/61/19/207676119.db2.gz OVNFFCABDSQNGN-GFCCVEGCSA-N 1 2 356.451 3.777 40 0 FHABLO O=C(COc1cccc2ccccc21)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000030758272 208004534 /nfs/dbraw/zinc/00/45/34/208004534.db2.gz SZMKRBBZQUONSX-UHFFFAOYSA-N 1 2 357.413 3.721 40 0 FHABLO O=C(CCC[N@H+]1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1cccs1 ZINC000031854054 208019333 /nfs/dbraw/zinc/01/93/33/208019333.db2.gz GHHCMKKXQNVLTH-UHFFFAOYSA-N 1 2 367.474 3.601 40 0 FHABLO O=C(CCC[N@@H+]1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1cccs1 ZINC000031854054 208019339 /nfs/dbraw/zinc/01/93/39/208019339.db2.gz GHHCMKKXQNVLTH-UHFFFAOYSA-N 1 2 367.474 3.601 40 0 FHABLO CC(C)Oc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000038772531 208205301 /nfs/dbraw/zinc/20/53/01/208205301.db2.gz ZBAHDFUHTCQIFF-UHFFFAOYSA-N 1 2 354.450 3.558 40 0 FHABLO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000044935027 208321197 /nfs/dbraw/zinc/32/11/97/208321197.db2.gz QNXMPWNEHZCGPU-GOSISDBHSA-N 1 2 352.478 3.627 40 0 FHABLO O=C(NCCSCc1ccccc1F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044909140 208321476 /nfs/dbraw/zinc/32/14/76/208321476.db2.gz GIEOWWFYSUOUMK-UHFFFAOYSA-N 1 2 369.465 3.734 40 0 FHABLO Cc1ccc([NH+]2CCC(C(=O)NCCSCc3ccco3)CC2)cc1 ZINC000219853941 132275208 /nfs/dbraw/zinc/27/52/08/132275208.db2.gz SLCQYJAYRIXPOF-UHFFFAOYSA-N 1 2 358.507 3.854 40 0 FHABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1C ZINC000224951785 132283766 /nfs/dbraw/zinc/28/37/66/132283766.db2.gz XHQSNWUWBCFBCQ-UHFFFAOYSA-N 1 2 360.479 3.795 40 0 FHABLO O=C(C[N@H+]1CCC[C@H](O)C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000003096842 132384789 /nfs/dbraw/zinc/38/47/89/132384789.db2.gz LHACSUDPUPBKCV-AWEZNQCLSA-N 1 2 374.893 3.926 40 0 FHABLO O=C(C[N@@H+]1CCC[C@H](O)C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000003096842 132384790 /nfs/dbraw/zinc/38/47/90/132384790.db2.gz LHACSUDPUPBKCV-AWEZNQCLSA-N 1 2 374.893 3.926 40 0 FHABLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000039667683 263399056 /nfs/dbraw/zinc/39/90/56/263399056.db2.gz RNELHSAIKJQLDK-AQDCRGGLSA-N 1 2 364.489 3.620 40 0 FHABLO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020460510 523050404 /nfs/dbraw/zinc/05/04/04/523050404.db2.gz DSHAOXHVQWKPJG-LJQANCHMSA-N 1 2 369.852 4.000 40 0 FHABLO Cc1cc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000020111492 525360795 /nfs/dbraw/zinc/36/07/95/525360795.db2.gz HGFVQLAPLAFNFA-UHFFFAOYSA-N 1 2 355.825 3.529 40 0 FHABLO C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020494741 525958426 /nfs/dbraw/zinc/95/84/26/525958426.db2.gz CEEQCOMXQZGTSL-CQSZACIVSA-N 1 2 355.825 3.609 40 0 FHABLO COc1ccccc1C[NH2+]C1(Cc2cc(-c3ccc(F)cc3)on2)COC1 ZINC000067897875 560050273 /nfs/dbraw/zinc/05/02/73/560050273.db2.gz ZJYOECVUCAHFPX-UHFFFAOYSA-N 1 2 368.408 3.591 40 0 biogenic,in-vitro FHABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](Cc2cc3ccccc3o2)C1 ZINC000015674120 560230932 /nfs/dbraw/zinc/23/09/32/560230932.db2.gz XWISFQQRPYZFNE-AEFFLSMTSA-N 1 2 361.401 3.791 40 0 biogenic,in-vitro FHABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000015674120 560230933 /nfs/dbraw/zinc/23/09/33/560230933.db2.gz XWISFQQRPYZFNE-AEFFLSMTSA-N 1 2 361.401 3.791 40 0 biogenic,in-vitro FHABLO CCNc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213113 570528450 /nfs/dbraw/zinc/52/84/50/570528450.db2.gz BSRGICARPURHMR-GOSISDBHSA-N 1 2 359.495 3.738 40 0 FHABLO O=C(CSCc1c(Cl)cccc1Cl)NCCCn1cc[nH+]c1 ZINC000408562573 570555556 /nfs/dbraw/zinc/55/55/56/570555556.db2.gz BSYCELUOEUWJRG-UHFFFAOYSA-N 1 2 358.294 3.630 40 0 FHABLO Cc1sc2[nH]c([C@H](C)[N@@H+]3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)nc(=O)c2c1C ZINC000329939755 570665523 /nfs/dbraw/zinc/66/55/23/570665523.db2.gz FVVYZAYQDVVNLG-ZKCLLBTKSA-N 1 2 360.483 3.711 40 0 FHABLO Cc1sc2[nH]c([C@H](C)[N@H+]3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)nc(=O)c2c1C ZINC000329939755 570665524 /nfs/dbraw/zinc/66/55/24/570665524.db2.gz FVVYZAYQDVVNLG-ZKCLLBTKSA-N 1 2 360.483 3.711 40 0 FHABLO CCCN1C(=O)S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000408959578 570702939 /nfs/dbraw/zinc/70/29/39/570702939.db2.gz BIUGLGXNRBQKFW-LGMDPLHJSA-N 1 2 355.463 3.990 40 0 FHABLO Cn1cc[nH+]c1[C@@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000012115019 570719226 /nfs/dbraw/zinc/71/92/26/570719226.db2.gz HFDUKVMTRNBPAW-SFHVURJKSA-N 1 2 367.399 3.636 40 0 FHABLO Cc1csc2c([C@@H]3CCN(C(=O)COc4ccccc4F)C3)[nH+]c(C)n12 ZINC000019240488 570884062 /nfs/dbraw/zinc/88/40/62/570884062.db2.gz RDPMAHRNENIMBA-CQSZACIVSA-N 1 2 373.453 3.547 40 0 FHABLO Fc1cc(F)cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1 ZINC000019291882 570884749 /nfs/dbraw/zinc/88/47/49/570884749.db2.gz VDEUVQSPRPMSFD-QFBILLFUSA-N 1 2 356.420 3.617 40 0 FHABLO Fc1cc(F)cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1 ZINC000019291882 570884754 /nfs/dbraw/zinc/88/47/54/570884754.db2.gz VDEUVQSPRPMSFD-QFBILLFUSA-N 1 2 356.420 3.617 40 0 FHABLO Fc1cccc(C[N@@H+](Cc2ccnn2[C@@H]2CCCCO2)C[C@@H]2CCCO2)c1 ZINC000019293772 570885319 /nfs/dbraw/zinc/88/53/19/570885319.db2.gz WKFDTFIGJCVQGL-SFTDATJTSA-N 1 2 373.472 3.903 40 0 FHABLO Fc1cccc(C[N@H+](Cc2ccnn2[C@@H]2CCCCO2)C[C@@H]2CCCO2)c1 ZINC000019293772 570885322 /nfs/dbraw/zinc/88/53/22/570885322.db2.gz WKFDTFIGJCVQGL-SFTDATJTSA-N 1 2 373.472 3.903 40 0 FHABLO Fc1ccc(-n2cc(C[N@@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000019401420 570888528 /nfs/dbraw/zinc/88/85/28/570888528.db2.gz XTPNAPYIEQASPP-NRFANRHFSA-N 1 2 366.440 3.588 40 0 FHABLO Fc1ccc(-n2cc(C[N@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000019401420 570888533 /nfs/dbraw/zinc/88/85/33/570888533.db2.gz XTPNAPYIEQASPP-NRFANRHFSA-N 1 2 366.440 3.588 40 0 FHABLO COc1ccccc1C[N@@H+]1CCc2c(nc(C(C)C)nc2N2CCCC2)C1 ZINC000019453655 570889182 /nfs/dbraw/zinc/88/91/82/570889182.db2.gz XPOIHGRYQSRDSO-UHFFFAOYSA-N 1 2 366.509 3.767 40 0 FHABLO COc1ccccc1C[N@H+]1CCc2c(nc(C(C)C)nc2N2CCCC2)C1 ZINC000019453655 570889184 /nfs/dbraw/zinc/88/91/84/570889184.db2.gz XPOIHGRYQSRDSO-UHFFFAOYSA-N 1 2 366.509 3.767 40 0 FHABLO CS(=O)(=O)c1cc(Cl)cnc1C1CC[NH+](Cc2ccsc2)CC1 ZINC000019573369 570894624 /nfs/dbraw/zinc/89/46/24/570894624.db2.gz DMAHDERQFBXFMR-UHFFFAOYSA-N 1 2 370.927 3.580 40 0 FHABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1C[C@@H](C)Oc1ccccc1Cl ZINC000019719699 570900872 /nfs/dbraw/zinc/90/08/72/570900872.db2.gz MHGBSLXCGFNCFZ-GFCCVEGCSA-N 1 2 374.828 3.571 40 0 FHABLO Cc1ccc(C)c(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000225219800 571022706 /nfs/dbraw/zinc/02/27/06/571022706.db2.gz MBSHACVVDFBQNO-UHFFFAOYSA-N 1 2 355.507 3.524 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000306135289 571038915 /nfs/dbraw/zinc/03/89/15/571038915.db2.gz OMNOJRDGMGDTEL-APWZRJJASA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000306135289 571038916 /nfs/dbraw/zinc/03/89/16/571038916.db2.gz OMNOJRDGMGDTEL-APWZRJJASA-N 1 2 371.483 3.763 40 0 FHABLO O=C(CCCOc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000075245269 571084413 /nfs/dbraw/zinc/08/44/13/571084413.db2.gz YHXXDTYDAUTBGY-YRNVUSSQSA-N 1 2 364.489 3.703 40 0 FHABLO CNc1nc(Nc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000328961097 571105039 /nfs/dbraw/zinc/10/50/39/571105039.db2.gz BBROPLZKMPTJKQ-UHFFFAOYSA-N 1 2 355.239 3.535 40 0 FHABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)c(Cl)c1 ZINC000329000129 571106895 /nfs/dbraw/zinc/10/68/95/571106895.db2.gz JZZROJAAUZTNTL-QGZVFWFLSA-N 1 2 360.889 3.910 40 0 FHABLO CNc1nc(Nc2ccc(Br)c(C)c2)cc(-c2ccncc2)[nH+]1 ZINC000329021252 571107325 /nfs/dbraw/zinc/10/73/25/571107325.db2.gz OFIGPUXQXWGSNX-UHFFFAOYSA-N 1 2 370.254 3.817 40 0 FHABLO Cc1cnc(Nc2cc([C@H]3CCCCN3Cc3[nH]cc[nH+]3)nc(C)n2)s1 ZINC000257230287 571152501 /nfs/dbraw/zinc/15/25/01/571152501.db2.gz GBOZXOJJRZKJFR-OAHLLOKOSA-N 1 2 369.498 3.744 40 0 FHABLO O=C(Nc1nccs1)c1cccc([C@@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257281930 571157752 /nfs/dbraw/zinc/15/77/52/571157752.db2.gz ORNSLNPDIKPFLS-HNNXBMFYSA-N 1 2 371.491 3.584 40 0 FHABLO O=C(Nc1nccs1)c1cccc([C@@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257281930 571157755 /nfs/dbraw/zinc/15/77/55/571157755.db2.gz ORNSLNPDIKPFLS-HNNXBMFYSA-N 1 2 371.491 3.584 40 0 FHABLO Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000072369440 571184764 /nfs/dbraw/zinc/18/47/64/571184764.db2.gz SXIHLFJEFXBSDQ-INIZCTEOSA-N 1 2 356.470 3.587 40 0 FHABLO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377414 571186179 /nfs/dbraw/zinc/18/61/79/571186179.db2.gz NUQWPEMUPJMIGT-SFHVURJKSA-N 1 2 364.428 3.877 40 0 FHABLO Fc1ccc(C[N@H+]2CCCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377414 571186182 /nfs/dbraw/zinc/18/61/82/571186182.db2.gz NUQWPEMUPJMIGT-SFHVURJKSA-N 1 2 364.428 3.877 40 0 FHABLO c1ccc(CC[N@@H+]2CCCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377567 571186690 /nfs/dbraw/zinc/18/66/90/571186690.db2.gz WHHJWVKXOVKZHJ-LJQANCHMSA-N 1 2 360.465 3.780 40 0 FHABLO c1ccc(CC[N@H+]2CCCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377567 571186691 /nfs/dbraw/zinc/18/66/91/571186691.db2.gz WHHJWVKXOVKZHJ-LJQANCHMSA-N 1 2 360.465 3.780 40 0 FHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072378849 571187285 /nfs/dbraw/zinc/18/72/85/571187285.db2.gz DWYUDXQHHZSBMW-SFHVURJKSA-N 1 2 364.424 3.946 40 0 FHABLO Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072384190 571188998 /nfs/dbraw/zinc/18/89/98/571188998.db2.gz LNUGVBUXFFNLFR-INIZCTEOSA-N 1 2 367.428 3.787 40 0 FHABLO O=C(C1CCC1)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306127563 571213483 /nfs/dbraw/zinc/21/34/83/571213483.db2.gz GBZZYBUDCHYVMD-OAQYLSRUSA-N 1 2 372.472 3.601 40 0 FHABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4ccc(Cl)cc4)C3)C2)n1 ZINC000585105166 571224368 /nfs/dbraw/zinc/22/43/68/571224368.db2.gz PIQHIADHGWSJHJ-FQEVSTJZSA-N 1 2 372.896 3.994 40 0 FHABLO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc1OC ZINC000095534061 571331367 /nfs/dbraw/zinc/33/13/67/571331367.db2.gz FDURKLWBWFNUJN-INIZCTEOSA-N 1 2 358.829 3.581 40 0 FHABLO Cc1nc(C[N@H+]2[C@H](c3ccccc3F)C[C@H]3NC(=O)CCCC[C@@H]32)cs1 ZINC000257335759 210003005 /nfs/dbraw/zinc/00/30/05/210003005.db2.gz YLSVTAKLRNCQDR-QYZOEREBSA-N 1 2 373.497 3.965 40 0 FHABLO Cc1nc(C[N@@H+]2[C@H](c3ccccc3F)C[C@H]3NC(=O)CCCC[C@@H]32)cs1 ZINC000257335759 210003009 /nfs/dbraw/zinc/00/30/09/210003009.db2.gz YLSVTAKLRNCQDR-QYZOEREBSA-N 1 2 373.497 3.965 40 0 FHABLO O=C(c1cnc2ccccc2c1)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257340635 210002360 /nfs/dbraw/zinc/00/23/60/210002360.db2.gz ZGZFEAZKRPHILY-UHFFFAOYSA-N 1 2 356.429 3.902 40 0 FHABLO Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c1C ZINC000001336355 209387529 /nfs/dbraw/zinc/38/75/29/209387529.db2.gz QPDUOROBAJWQAG-UHFFFAOYSA-N 1 2 368.452 3.976 40 0 FHABLO COc1cc([C@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc(OC)c1OC ZINC000012188517 207346161 /nfs/dbraw/zinc/34/61/61/207346161.db2.gz DAIKHWDOFCBERT-SFHVURJKSA-N 1 2 373.840 3.552 40 0 FHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000012116367 207339251 /nfs/dbraw/zinc/33/92/51/207339251.db2.gz UHSSRRPBJKBQNH-UHFFFAOYSA-N 1 2 354.498 3.722 40 0 FHABLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000012221703 207348988 /nfs/dbraw/zinc/34/89/88/207348988.db2.gz KHKPZEGEWFNNJZ-LJQANCHMSA-N 1 2 355.388 3.537 40 0 FHABLO CC(C)Oc1cccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000030758512 208005096 /nfs/dbraw/zinc/00/50/96/208005096.db2.gz MCXJNTZCJBIOSL-UHFFFAOYSA-N 1 2 354.450 3.558 40 0 FHABLO O=C(c1cc(-c2ccccc2)on1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000041130690 208283324 /nfs/dbraw/zinc/28/33/24/208283324.db2.gz UZIVJNYNCDPFSM-JXMROGBWSA-N 1 2 373.456 3.813 40 0 FHABLO Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000044900365 208319868 /nfs/dbraw/zinc/31/98/68/208319868.db2.gz SENWOQDISXYMIV-SFHVURJKSA-N 1 2 352.478 3.627 40 0 FHABLO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000044901936 208323199 /nfs/dbraw/zinc/32/31/99/208323199.db2.gz TTWOFPAWYKTEST-SFHVURJKSA-N 1 2 363.461 3.881 40 0 FHABLO COc1cc2c(cc1OC)CN(c1cc(NC3CCCCC3)[nH+]cn1)CC2 ZINC000244033912 132250095 /nfs/dbraw/zinc/25/00/95/132250095.db2.gz SUPTXJCVJAEGOE-UHFFFAOYSA-N 1 2 368.481 3.801 40 0 FHABLO COc1cc2c(cc1OC)CN(c1cc(NC3CCCCC3)nc[nH+]1)CC2 ZINC000244033912 132250097 /nfs/dbraw/zinc/25/00/97/132250097.db2.gz SUPTXJCVJAEGOE-UHFFFAOYSA-N 1 2 368.481 3.801 40 0 FHABLO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000329013072 132372503 /nfs/dbraw/zinc/37/25/03/132372503.db2.gz MNRZOACTCIVNPU-UHFFFAOYSA-N 1 2 350.344 3.512 40 0 FHABLO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000329013072 132372504 /nfs/dbraw/zinc/37/25/04/132372504.db2.gz MNRZOACTCIVNPU-UHFFFAOYSA-N 1 2 350.344 3.512 40 0 FHABLO Cc1ccc(C)c(NC(=O)C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000057711310 136130071 /nfs/dbraw/zinc/13/00/71/136130071.db2.gz OIWLLLWTYOTADR-UHFFFAOYSA-N 1 2 351.494 3.681 40 0 FHABLO CCN(CC)c1cc(NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)[nH+]cn1 ZINC000079440087 520877967 /nfs/dbraw/zinc/87/79/67/520877967.db2.gz XRWUQSHQJHLQRU-HNNXBMFYSA-N 1 2 363.506 3.524 40 0 FHABLO CCN(CC)c1cc(NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc[nH+]1 ZINC000079440087 520877977 /nfs/dbraw/zinc/87/79/77/520877977.db2.gz XRWUQSHQJHLQRU-HNNXBMFYSA-N 1 2 363.506 3.524 40 0 FHABLO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020493968 523050298 /nfs/dbraw/zinc/05/02/98/523050298.db2.gz GHPCGAVZSNCNMC-LJQANCHMSA-N 1 2 369.852 4.000 40 0 FHABLO Cc1ccc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1C ZINC000219247186 568279050 /nfs/dbraw/zinc/27/90/50/568279050.db2.gz FXAHJCRJCVSHRX-GOSISDBHSA-N 1 2 352.478 3.627 40 0 FHABLO Cc1cccc(OC[C@@H](O)CN(Cc2ccsc2)c2cccc[nH+]2)c1 ZINC000001731833 570505877 /nfs/dbraw/zinc/50/58/77/570505877.db2.gz DEYQADVDPQDUIS-SFHVURJKSA-N 1 2 354.475 3.898 40 0 FHABLO COc1ccc([C@@H](NC(=O)CCC2CCCC2)c2[nH+]ccn2C)cc1OC ZINC000012114947 570719172 /nfs/dbraw/zinc/71/91/72/570719172.db2.gz XIRBHGKVXNDDOM-HXUWFJFHSA-N 1 2 371.481 3.613 40 0 FHABLO COc1ccc(-c2nc(NCCc3ccncc3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221398 570728965 /nfs/dbraw/zinc/72/89/65/570728965.db2.gz NWIXZGHGTPYTED-UHFFFAOYSA-N 1 2 372.432 3.592 40 0 FHABLO CCn1c2ccc(NC(=O)c3cc(C(C)C)nc(=O)[nH]3)cc2[nH+]c1C(C)C ZINC000019524254 570891701 /nfs/dbraw/zinc/89/17/01/570891701.db2.gz YGBVVQGEBDPJOT-UHFFFAOYSA-N 1 2 367.453 3.639 40 0 FHABLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000019659257 570897209 /nfs/dbraw/zinc/89/72/09/570897209.db2.gz CAHBYPYPCRPHKK-GOSISDBHSA-N 1 2 368.481 3.782 40 0 FHABLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000019659257 570897212 /nfs/dbraw/zinc/89/72/12/570897212.db2.gz CAHBYPYPCRPHKK-GOSISDBHSA-N 1 2 368.481 3.782 40 0 FHABLO Cc1cc(C)cc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000225219859 571022380 /nfs/dbraw/zinc/02/23/80/571022380.db2.gz JLMLOTBLMGZSLO-UHFFFAOYSA-N 1 2 355.507 3.524 40 0 FHABLO CCOc1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225454288 571036553 /nfs/dbraw/zinc/03/65/53/571036553.db2.gz CAKZDVCKQMYRSB-UHFFFAOYSA-N 1 2 352.463 3.758 40 0 FHABLO Cc1nc(C[N@@H+]2CCc3cc(Oc4ccccc4)nnc3CC2)cs1 ZINC000306140515 571041718 /nfs/dbraw/zinc/04/17/18/571041718.db2.gz UVZFRIYCHLRPPA-UHFFFAOYSA-N 1 2 352.463 3.635 40 0 FHABLO Cc1nc(C[N@H+]2CCc3cc(Oc4ccccc4)nnc3CC2)cs1 ZINC000306140515 571041720 /nfs/dbraw/zinc/04/17/20/571041720.db2.gz UVZFRIYCHLRPPA-UHFFFAOYSA-N 1 2 352.463 3.635 40 0 FHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccco5)CCO4)nnn3c2)cc1 ZINC000306141330 571042141 /nfs/dbraw/zinc/04/21/41/571042141.db2.gz VSBPDBHFBZSFQN-OAQYLSRUSA-N 1 2 374.444 3.871 40 0 FHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccco5)CCO4)nnn3c2)cc1 ZINC000306141330 571042144 /nfs/dbraw/zinc/04/21/44/571042144.db2.gz VSBPDBHFBZSFQN-OAQYLSRUSA-N 1 2 374.444 3.871 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306143538 571042367 /nfs/dbraw/zinc/04/23/67/571042367.db2.gz YFBHLAYSUFOAED-MJGOQNOKSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306143538 571042370 /nfs/dbraw/zinc/04/23/70/571042370.db2.gz YFBHLAYSUFOAED-MJGOQNOKSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306144320 571042790 /nfs/dbraw/zinc/04/27/90/571042790.db2.gz ZCEPWCZINWGQTG-APWZRJJASA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306144320 571042794 /nfs/dbraw/zinc/04/27/94/571042794.db2.gz ZCEPWCZINWGQTG-APWZRJJASA-N 1 2 371.483 3.763 40 0 FHABLO S=c1n(C[NH+]2CCC(c3ccccc3)CC2)nnn1-c1ccccc1 ZINC000059474610 571090687 /nfs/dbraw/zinc/09/06/87/571090687.db2.gz SFZNQRQOEZJCRZ-UHFFFAOYSA-N 1 2 351.479 3.635 40 0 FHABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328969981 571105726 /nfs/dbraw/zinc/10/57/26/571105726.db2.gz DHUUGBSGOUQWGN-MRXNPFEDSA-N 1 2 364.852 3.741 40 0 FHABLO CNc1nc(Nc2ccccc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329039196 571108152 /nfs/dbraw/zinc/10/81/52/571108152.db2.gz RXEYBBQDWLQMOU-UHFFFAOYSA-N 1 2 374.366 3.980 40 0 FHABLO c1csc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329068662 571109505 /nfs/dbraw/zinc/10/95/05/571109505.db2.gz YRPNYLZGQUNBGU-UHFFFAOYSA-N 1 2 365.506 3.801 40 0 FHABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000064611104 571140993 /nfs/dbraw/zinc/14/09/93/571140993.db2.gz CTRHKHPSZMSLBF-UHFFFAOYSA-N 1 2 356.223 3.565 40 0 FHABLO CNc1cc([C@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)cc[nH+]1 ZINC000257244954 571153814 /nfs/dbraw/zinc/15/38/14/571153814.db2.gz INLOEQPTILNQEZ-AWEZNQCLSA-N 1 2 352.413 3.764 40 0 FHABLO Cc1ccc(Nc2nc([C@H]3CCC[N@H+](Cc4ncc[nH]4)C3)cs2)nc1 ZINC000257247437 571154221 /nfs/dbraw/zinc/15/42/21/571154221.db2.gz IZAHNUDWNUUNHO-AWEZNQCLSA-N 1 2 354.483 3.693 40 0 FHABLO Cc1ccc(Nc2nc([C@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)cs2)nc1 ZINC000257247437 571154225 /nfs/dbraw/zinc/15/42/25/571154225.db2.gz IZAHNUDWNUUNHO-AWEZNQCLSA-N 1 2 354.483 3.693 40 0 FHABLO Cc1ccc(Nc2nc([C@@H]3CCC[N@@H+](Cc4nccn4C)C3)cs2)nc1 ZINC000257253599 571154480 /nfs/dbraw/zinc/15/44/80/571154480.db2.gz JZNMMVWRFQTZHU-OAHLLOKOSA-N 1 2 368.510 3.703 40 0 FHABLO Cc1ccc(Nc2nc([C@@H]3CCC[N@H+](Cc4nccn4C)C3)cs2)nc1 ZINC000257253599 571154481 /nfs/dbraw/zinc/15/44/81/571154481.db2.gz JZNMMVWRFQTZHU-OAHLLOKOSA-N 1 2 368.510 3.703 40 0 FHABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2cccc(F)c2)[nH+]1 ZINC000257258738 571155044 /nfs/dbraw/zinc/15/50/44/571155044.db2.gz KVHNIALNDDKLTJ-IBGZPJMESA-N 1 2 355.457 3.914 40 0 FHABLO Cc1noc(C)c1-c1cccc([C@@H]2C[N@H+](Cc3ccncc3C)CCO2)n1 ZINC000257271144 571156571 /nfs/dbraw/zinc/15/65/71/571156571.db2.gz MXARIFKTAXVVQM-FQEVSTJZSA-N 1 2 364.449 3.630 40 0 FHABLO Cc1noc(C)c1-c1cccc([C@@H]2C[N@@H+](Cc3ccncc3C)CCO2)n1 ZINC000257271144 571156575 /nfs/dbraw/zinc/15/65/75/571156575.db2.gz MXARIFKTAXVVQM-FQEVSTJZSA-N 1 2 364.449 3.630 40 0 FHABLO Cn1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257308261 571160515 /nfs/dbraw/zinc/16/05/15/571160515.db2.gz TWCKPZJRKQBOPW-HNNXBMFYSA-N 1 2 365.433 3.758 40 0 FHABLO Cn1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257308261 571160516 /nfs/dbraw/zinc/16/05/16/571160516.db2.gz TWCKPZJRKQBOPW-HNNXBMFYSA-N 1 2 365.433 3.758 40 0 FHABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257310059 571160528 /nfs/dbraw/zinc/16/05/28/571160528.db2.gz UDNDINUQVASENL-OAHLLOKOSA-N 1 2 366.494 3.760 40 0 FHABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257310059 571160530 /nfs/dbraw/zinc/16/05/30/571160530.db2.gz UDNDINUQVASENL-OAHLLOKOSA-N 1 2 366.494 3.760 40 0 FHABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2C ZINC000261361663 571164464 /nfs/dbraw/zinc/16/44/64/571164464.db2.gz AKFIMQOLDYTQMW-ZDUSSCGKSA-O 1 2 373.502 3.694 40 0 FHABLO O=C(CCc1ccccc1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378520 571186990 /nfs/dbraw/zinc/18/69/90/571186990.db2.gz YUJOPQPWYLEUEB-LJQANCHMSA-N 1 2 360.461 3.606 40 0 FHABLO Cn1c[nH+]cc1CN1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072384448 571189206 /nfs/dbraw/zinc/18/92/06/571189206.db2.gz MCGODIFZVJFVEQ-SFHVURJKSA-N 1 2 369.856 3.993 40 0 FHABLO CC(=O)Oc1cc2c(s1)CC[N@@H+]([C@H](C(=O)C1CC1)c1ccccc1)C2 ZINC000077286566 571206291 /nfs/dbraw/zinc/20/62/91/571206291.db2.gz OPKDRZXNRYIANV-IBGZPJMESA-N 1 2 355.459 3.752 40 0 in-vitro FHABLO CC(=O)Oc1cc2c(s1)CC[N@H+]([C@H](C(=O)C1CC1)c1ccccc1)C2 ZINC000077286566 571206292 /nfs/dbraw/zinc/20/62/92/571206292.db2.gz OPKDRZXNRYIANV-IBGZPJMESA-N 1 2 355.459 3.752 40 0 in-vitro FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306130689 571213896 /nfs/dbraw/zinc/21/38/96/571213896.db2.gz JNAYRQDIYAATRT-MJGOQNOKSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306130689 571213897 /nfs/dbraw/zinc/21/38/97/571213897.db2.gz JNAYRQDIYAATRT-MJGOQNOKSA-N 1 2 371.483 3.763 40 0 FHABLO Fc1ccc(C[N@@H+](Cc2ccnn2[C@@H]2CCCCO2)C[C@H]2CCCO2)cc1 ZINC000019333681 571303856 /nfs/dbraw/zinc/30/38/56/571303856.db2.gz ZHMOEUXCENPZSA-RTWAWAEBSA-N 1 2 373.472 3.903 40 0 FHABLO Fc1ccc(C[N@H+](Cc2ccnn2[C@@H]2CCCCO2)C[C@H]2CCCO2)cc1 ZINC000019333681 571303857 /nfs/dbraw/zinc/30/38/57/571303857.db2.gz ZHMOEUXCENPZSA-RTWAWAEBSA-N 1 2 373.472 3.903 40 0 FHABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)cn1 ZINC000019692425 571304245 /nfs/dbraw/zinc/30/42/45/571304245.db2.gz NMSXYPCYLUVBAG-HXUWFJFHSA-N 1 2 368.868 3.709 40 0 FHABLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)cn1 ZINC000019692425 571304246 /nfs/dbraw/zinc/30/42/46/571304246.db2.gz NMSXYPCYLUVBAG-HXUWFJFHSA-N 1 2 368.868 3.709 40 0 FHABLO COc1cccc([C@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)c1 ZINC000095533611 571331364 /nfs/dbraw/zinc/33/13/64/571331364.db2.gz VOVXLRXWHDFJSN-IBGZPJMESA-N 1 2 366.465 3.738 40 0 FHABLO CN(C)c1cc([C@@H]2c3ccccc3CCCN2C(=O)c2ccco2)cc[nH+]1 ZINC000096087145 209110016 /nfs/dbraw/zinc/11/00/16/209110016.db2.gz YSPXCLDLPAHCIX-OAQYLSRUSA-N 1 2 361.445 3.919 40 0 FHABLO C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)O3)cs1)n1cc[nH+]c1 ZINC000019498228 220264142 /nfs/dbraw/zinc/26/41/42/220264142.db2.gz FDKCUVZOXFDLCT-RYUDHWBXSA-N 1 2 354.435 3.530 40 0 FHABLO Fc1ccc(C[N@@H+]2CCc3c(COCc4ccncc4)cncc3C2)cc1 ZINC000096059330 209103620 /nfs/dbraw/zinc/10/36/20/209103620.db2.gz LZZYISPEJMUHJH-UHFFFAOYSA-N 1 2 363.436 3.891 40 0 FHABLO Fc1ccc(C[N@H+]2CCc3c(COCc4ccncc4)cncc3C2)cc1 ZINC000096059330 209103624 /nfs/dbraw/zinc/10/36/24/209103624.db2.gz LZZYISPEJMUHJH-UHFFFAOYSA-N 1 2 363.436 3.891 40 0 FHABLO O=C(CSc1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069389970 208752026 /nfs/dbraw/zinc/75/20/26/208752026.db2.gz IZSLTIPOXGAPCX-UHFFFAOYSA-N 1 2 357.866 3.934 40 0 FHABLO COc1ccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1OC ZINC000219850237 132274693 /nfs/dbraw/zinc/27/46/93/132274693.db2.gz FCUCSEGPIRSNIN-UHFFFAOYSA-N 1 2 354.450 3.867 40 0 FHABLO COc1ccc(CCCNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219861117 132275227 /nfs/dbraw/zinc/27/52/27/132275227.db2.gz OTKLQABDNDVCTB-UHFFFAOYSA-N 1 2 366.505 3.969 40 0 FHABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]cn1)C2 ZINC000329058457 132373008 /nfs/dbraw/zinc/37/30/08/132373008.db2.gz WCYXPINFQWZKJI-INIZCTEOSA-N 1 2 360.461 3.705 40 0 FHABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc[nH+]1)C2 ZINC000329058457 132373009 /nfs/dbraw/zinc/37/30/09/132373009.db2.gz WCYXPINFQWZKJI-INIZCTEOSA-N 1 2 360.461 3.705 40 0 FHABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3C(C)(C)C)C(C)C)CC2)c1 ZINC000057669710 136129868 /nfs/dbraw/zinc/12/98/68/136129868.db2.gz HVVCJGDXGSMKSX-LJQANCHMSA-N 1 2 370.545 3.564 40 0 FHABLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019933257 525320598 /nfs/dbraw/zinc/32/05/98/525320598.db2.gz VOINYDGZXOPSKW-GPVYEGESSA-N 1 2 364.489 3.620 40 0 FHABLO Cc1ccc(S[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020494535 525669135 /nfs/dbraw/zinc/66/91/35/525669135.db2.gz JAYPJNABYFPZCT-MRXNPFEDSA-N 1 2 351.475 3.978 40 0 FHABLO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020112098 525941311 /nfs/dbraw/zinc/94/13/11/525941311.db2.gz LOQWWHKYQFPLMP-CQSZACIVSA-N 1 2 355.825 3.609 40 0 FHABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000081931836 526650362 /nfs/dbraw/zinc/65/03/62/526650362.db2.gz HHQOTYSMTZDPSV-UHFFFAOYSA-N 1 2 360.461 3.793 40 0 FHABLO FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3CC3CC3)n2)cc1 ZINC000067898585 560049703 /nfs/dbraw/zinc/04/97/03/560049703.db2.gz FDNXGSRNUUJFJX-INIZCTEOSA-N 1 2 351.372 3.879 40 0 biogenic,in-vitro FHABLO FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3CC3CC3)n2)cc1 ZINC000067898585 560049705 /nfs/dbraw/zinc/04/97/05/560049705.db2.gz FDNXGSRNUUJFJX-INIZCTEOSA-N 1 2 351.372 3.879 40 0 biogenic,in-vitro FHABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc(F)cc2)Oc2ccccc2N1CC1CC1 ZINC000096111805 560060996 /nfs/dbraw/zinc/06/09/96/560060996.db2.gz YAVWNFORHYEVRC-ICSRJNTNSA-N 1 2 366.436 3.604 40 0 biogenic,in-vitro FHABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc(F)cc2)Oc2ccccc2N1CC1CC1 ZINC000096111805 560060998 /nfs/dbraw/zinc/06/09/98/560060998.db2.gz YAVWNFORHYEVRC-ICSRJNTNSA-N 1 2 366.436 3.604 40 0 biogenic,in-vitro FHABLO COc1ccccc1-c1ccc(=O)n(C[N@@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1 ZINC000072403142 570549939 /nfs/dbraw/zinc/54/99/39/570549939.db2.gz AISXYADEAKLWAX-AOMKIAJQSA-N 1 2 367.493 3.777 40 0 FHABLO COc1ccccc1-c1ccc(=O)n(C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1 ZINC000072403142 570549942 /nfs/dbraw/zinc/54/99/42/570549942.db2.gz AISXYADEAKLWAX-AOMKIAJQSA-N 1 2 367.493 3.777 40 0 FHABLO COc1ccc([C@H](NC(=O)CCC2CCCC2)c2[nH+]ccn2C)cc1OC ZINC000012114948 570719330 /nfs/dbraw/zinc/71/93/30/570719330.db2.gz XIRBHGKVXNDDOM-FQEVSTJZSA-N 1 2 371.481 3.613 40 0 FHABLO C[C@@H]1CN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC000012221178 570729105 /nfs/dbraw/zinc/72/91/05/570729105.db2.gz LZJCDBPMPHZWCU-BETUJISGSA-N 1 2 369.856 3.801 40 0 FHABLO CC(=O)c1ccc(NC(=S)N2CC[NH+](/C=C/c3ccccc3)CC2)cc1 ZINC000013576508 570779809 /nfs/dbraw/zinc/77/98/09/570779809.db2.gz YBEIFXDYPUEYQS-VAWYXSNFSA-N 1 2 365.502 3.875 40 0 FHABLO Cc1cccc(C)c1OCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000014291990 570847844 /nfs/dbraw/zinc/84/78/44/570847844.db2.gz IWHMDGJSPOMRER-KPKJPENVSA-N 1 2 364.489 3.540 40 0 FHABLO CCc1[nH+]c2cc(NC(=O)c3cc(C(F)(F)F)[nH]n3)ccc2n1CC ZINC000019523218 570891104 /nfs/dbraw/zinc/89/11/04/570891104.db2.gz BLRHQMDAOVCBOB-UHFFFAOYSA-N 1 2 351.332 3.613 40 0 FHABLO COc1ccc(C[N@@H+]2CCO[C@H](c3cc4ccccc4cn3)C2)c(OC)c1 ZINC000019552460 570892566 /nfs/dbraw/zinc/89/25/66/570892566.db2.gz OZIJDXYHMKGZSF-QFIPXVFZSA-N 1 2 364.445 3.826 40 0 FHABLO COc1ccc(C[N@H+]2CCO[C@H](c3cc4ccccc4cn3)C2)c(OC)c1 ZINC000019552460 570892567 /nfs/dbraw/zinc/89/25/67/570892567.db2.gz OZIJDXYHMKGZSF-QFIPXVFZSA-N 1 2 364.445 3.826 40 0 FHABLO COc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)c1 ZINC000019565655 570893995 /nfs/dbraw/zinc/89/39/95/570893995.db2.gz ZUFXDDSFXLVWBK-UHFFFAOYSA-N 1 2 372.428 3.602 40 0 FHABLO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000044844301 571102571 /nfs/dbraw/zinc/10/25/71/571102571.db2.gz BWVFXZULGWDHKJ-HXUWFJFHSA-N 1 2 363.461 3.963 40 0 FHABLO CC[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(C)cc1 ZINC000044848568 571103060 /nfs/dbraw/zinc/10/30/60/571103060.db2.gz COYONOSKJFBVPG-NRFANRHFSA-N 1 2 352.478 3.708 40 0 FHABLO CNc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328959926 571104620 /nfs/dbraw/zinc/10/46/20/571104620.db2.gz AVNUQUUDQUKYKO-UHFFFAOYSA-N 1 2 374.366 3.800 40 0 FHABLO CC[C@@H](C)Nc1nc(Nc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000328960138 571105025 /nfs/dbraw/zinc/10/50/25/571105025.db2.gz AXAXCMBZEZLBSS-LLVKDONJSA-N 1 2 361.287 3.914 40 0 FHABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccs2)cc(-c2ccccc2)[nH+]1 ZINC000328993145 571106561 /nfs/dbraw/zinc/10/65/61/571106561.db2.gz IZGFPCXEEYZHIT-GOSISDBHSA-N 1 2 368.506 3.668 40 0 FHABLO Cc1cc(F)ccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329007178 571107098 /nfs/dbraw/zinc/10/70/98/571107098.db2.gz LIASNSWDFLGDRQ-AWEZNQCLSA-N 1 2 352.413 3.549 40 0 FHABLO CC(C)Nc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329016399 571107383 /nfs/dbraw/zinc/10/73/83/571107383.db2.gz NFODDCUSIQPDHA-UHFFFAOYSA-N 1 2 354.841 3.910 40 0 FHABLO c1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329018402 571107479 /nfs/dbraw/zinc/10/74/79/571107479.db2.gz NRSFBRIRFNPXMD-UHFFFAOYSA-N 1 2 359.477 3.739 40 0 FHABLO CC[C@H](C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccncc2)[nH+]1 ZINC000329054050 571108716 /nfs/dbraw/zinc/10/87/16/571108716.db2.gz VJINTZONBDKWOD-AWEZNQCLSA-N 1 2 367.884 3.858 40 0 FHABLO CC(C)(C)Nc1nc(NCc2ccc(F)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329057781 571109205 /nfs/dbraw/zinc/10/92/05/571109205.db2.gz VYWKRCHSQMZDNJ-UHFFFAOYSA-N 1 2 351.429 3.922 40 0 FHABLO CC[C@H](C)Nc1nc(NCc2ccccc2Cl)cc(-c2cccnc2)[nH+]1 ZINC000329064689 571109473 /nfs/dbraw/zinc/10/94/73/571109473.db2.gz XLTRBIDTZWTGQK-AWEZNQCLSA-N 1 2 367.884 3.858 40 0 FHABLO COc1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)cc1 ZINC000053536558 571112890 /nfs/dbraw/zinc/11/28/90/571112890.db2.gz JPQIWJYIAZVPAN-SFHVURJKSA-N 1 2 351.450 3.753 40 0 FHABLO COc1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)cc1 ZINC000053536558 571112891 /nfs/dbraw/zinc/11/28/91/571112891.db2.gz JPQIWJYIAZVPAN-SFHVURJKSA-N 1 2 351.450 3.753 40 0 FHABLO Cc1ncsc1C[N@H+]1Cc2cccn2[C@H](CCOCc2cccnc2)C1 ZINC000248013931 571126912 /nfs/dbraw/zinc/12/69/12/571126912.db2.gz GVMIRSHJEQIPOZ-LJQANCHMSA-N 1 2 368.506 3.812 40 0 FHABLO Cc1ncsc1C[N@@H+]1Cc2cccn2[C@H](CCOCc2cccnc2)C1 ZINC000248013931 571126913 /nfs/dbraw/zinc/12/69/13/571126913.db2.gz GVMIRSHJEQIPOZ-LJQANCHMSA-N 1 2 368.506 3.812 40 0 FHABLO CC1(C)Oc2ccccc2[C@H]2OCC3(C[NH+](Cc4ccc(F)cn4)C3)C[C@@H]21 ZINC000257201776 571149387 /nfs/dbraw/zinc/14/93/87/571149387.db2.gz AJAMPCBEBBJZLY-AZUAARDMSA-N 1 2 368.452 3.972 40 0 FHABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3C)C2)[nH+]1 ZINC000257217466 571151271 /nfs/dbraw/zinc/15/12/71/571151271.db2.gz CZBZWTAPWNMTEX-CQSZACIVSA-N 1 2 354.429 3.677 40 0 FHABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2sccc2C)cc1 ZINC000257303997 571159828 /nfs/dbraw/zinc/15/98/28/571159828.db2.gz SJRCRSHPNCRHPJ-INIZCTEOSA-N 1 2 353.447 3.659 40 0 FHABLO Cc1nc(=O)c2cc(Cl)ccc2n1C1=CC[N@H+](Cc2ccco2)CC1 ZINC000072348323 571179945 /nfs/dbraw/zinc/17/99/45/571179945.db2.gz CYMMASZNYTWALE-UHFFFAOYSA-N 1 2 355.825 3.698 40 0 FHABLO Cc1nc(=O)c2cc(Cl)ccc2n1C1=CC[N@@H+](Cc2ccco2)CC1 ZINC000072348323 571179947 /nfs/dbraw/zinc/17/99/47/571179947.db2.gz CYMMASZNYTWALE-UHFFFAOYSA-N 1 2 355.825 3.698 40 0 FHABLO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072362776 571184851 /nfs/dbraw/zinc/18/48/51/571184851.db2.gz GNEZQLAXLKTOMY-OAHLLOKOSA-N 1 2 367.428 3.521 40 0 FHABLO Cn1ccnc1C[N@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072362776 571184852 /nfs/dbraw/zinc/18/48/52/571184852.db2.gz GNEZQLAXLKTOMY-OAHLLOKOSA-N 1 2 367.428 3.521 40 0 FHABLO O=C(c1ccsc1)N1Cc2cccn2C[C@H](CCNc2cccc[nH+]2)C1 ZINC000585095595 571220817 /nfs/dbraw/zinc/22/08/17/571220817.db2.gz ZPEPWWHRUROZQC-INIZCTEOSA-N 1 2 366.490 3.719 40 0 FHABLO Fc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)cc1F ZINC000585105456 571223767 /nfs/dbraw/zinc/22/37/67/571223767.db2.gz WYAQKQSYWKBHQV-MRXNPFEDSA-N 1 2 362.445 3.637 40 0 FHABLO O=C(Nc1ccccc1C(F)(F)F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020238798 571305005 /nfs/dbraw/zinc/30/50/05/571305005.db2.gz MEZHJIKYGOMGBY-UHFFFAOYSA-N 1 2 364.367 3.790 40 0 FHABLO Cc1nc(C[N@@H+]2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)co1 ZINC000257313854 209996102 /nfs/dbraw/zinc/99/61/02/209996102.db2.gz UUJVGRAMOWTROK-ZJOUEHCJSA-N 1 2 371.456 3.887 40 0 FHABLO Cc1nc(C[N@H+]2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)co1 ZINC000257313854 209996108 /nfs/dbraw/zinc/99/61/08/209996108.db2.gz UUJVGRAMOWTROK-ZJOUEHCJSA-N 1 2 371.456 3.887 40 0 FHABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccccc1Br ZINC000115743749 209342630 /nfs/dbraw/zinc/34/26/30/209342630.db2.gz KDXOLZQCLHYJHX-UHFFFAOYSA-N 1 2 356.223 3.565 40 0 FHABLO O=C(CC1CC1)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306143894 206672836 /nfs/dbraw/zinc/67/28/36/206672836.db2.gz YQBZFLHUVFUNFA-NRFANRHFSA-N 1 2 372.472 3.601 40 0 FHABLO Cc1ccc2c(c1)[nH+]cn2C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000035315870 207132376 /nfs/dbraw/zinc/13/23/76/207132376.db2.gz CZYCDEWKJRAKCV-UHFFFAOYSA-N 1 2 373.453 3.510 40 0 FHABLO COc1ccccc1C1(NC(=O)Cn2c(C)[nH+]c3ccccc32)CCCC1 ZINC000012115978 207339452 /nfs/dbraw/zinc/33/94/52/207339452.db2.gz MGLCDTZVMOOSJY-UHFFFAOYSA-N 1 2 363.461 3.939 40 0 FHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2cccs2)CC1 ZINC000012116373 207339790 /nfs/dbraw/zinc/33/97/90/207339790.db2.gz OICFYJBSIAYYDB-UHFFFAOYSA-N 1 2 368.506 3.651 40 0 FHABLO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000030751569 208004802 /nfs/dbraw/zinc/00/48/02/208004802.db2.gz KPFRQMJTQXEXME-SFHVURJKSA-N 1 2 363.461 3.881 40 0 FHABLO COC(=O)c1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1Cl ZINC000030938943 208008082 /nfs/dbraw/zinc/00/80/82/208008082.db2.gz VULZGBACZGATSO-UHFFFAOYSA-N 1 2 369.808 3.624 40 0 FHABLO c1cc2c(c3cc4c(cc13)OCO4)C[N@H+]1CCc3cc4c(cc3[C@H]1C2)OCO4 ZINC000031719556 208015939 /nfs/dbraw/zinc/01/59/39/208015939.db2.gz JTWGJPMYQMXGHT-LJQANCHMSA-N 1 2 373.408 3.953 40 0 FHABLO c1cc2c(c3cc4c(cc13)OCO4)C[N@@H+]1CCc3cc4c(cc3[C@H]1C2)OCO4 ZINC000031719556 208015945 /nfs/dbraw/zinc/01/59/45/208015945.db2.gz JTWGJPMYQMXGHT-LJQANCHMSA-N 1 2 373.408 3.953 40 0 FHABLO Cc1ccccc1CSCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000044901315 208320103 /nfs/dbraw/zinc/32/01/03/208320103.db2.gz RQDZIJDDNIDBGY-UHFFFAOYSA-N 1 2 351.475 3.730 40 0 FHABLO CC[C@@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669550 136129838 /nfs/dbraw/zinc/12/98/38/136129838.db2.gz JOFVXNVOHVWVHD-IBGZPJMESA-N 1 2 368.529 3.678 40 0 FHABLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019933259 525319577 /nfs/dbraw/zinc/31/95/77/525319577.db2.gz VOINYDGZXOPSKW-MEJUDOHFSA-N 1 2 364.489 3.620 40 0 FHABLO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020462669 525931460 /nfs/dbraw/zinc/93/14/60/525931460.db2.gz HUKBWEJVMBRHKU-AWEZNQCLSA-N 1 2 355.825 3.609 40 0 FHABLO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1 ZINC000219853789 536635661 /nfs/dbraw/zinc/63/56/61/536635661.db2.gz GNOXSLYCLQCTQG-UHFFFAOYSA-N 1 2 366.461 3.945 40 0 FHABLO O=C1OC[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)Cc3ccc(F)cc3N12 ZINC000225486520 560042673 /nfs/dbraw/zinc/04/26/73/560042673.db2.gz JEOLLODCPOZZOI-HNNXBMFYSA-N 1 2 362.351 3.835 40 0 biogenic,in-vitro FHABLO O=C1OC[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)Cc3ccc(F)cc3N12 ZINC000225486520 560042674 /nfs/dbraw/zinc/04/26/74/560042674.db2.gz JEOLLODCPOZZOI-HNNXBMFYSA-N 1 2 362.351 3.835 40 0 biogenic,in-vitro FHABLO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000216444454 568123615 /nfs/dbraw/zinc/12/36/15/568123615.db2.gz FZGPBEOAUDQIOZ-NRFANRHFSA-N 1 2 363.461 3.963 40 0 FHABLO Cc1cccc(CSCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000222736244 568558073 /nfs/dbraw/zinc/55/80/73/568558073.db2.gz ROAKVYAUCRUAAN-UHFFFAOYSA-N 1 2 354.519 3.573 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH+]c2NCC(C)C)cc1 ZINC000072213263 570528392 /nfs/dbraw/zinc/52/83/92/570528392.db2.gz QLWSIXIMZISGDK-LJQANCHMSA-N 1 2 373.522 3.984 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2c[nH+]c(N(C)C)c(C)c2)cc1 ZINC000072218659 570534531 /nfs/dbraw/zinc/53/45/31/570534531.db2.gz UNXGYQDWHFCDOQ-IBGZPJMESA-N 1 2 373.522 3.680 40 0 FHABLO CNc1[nH+]cc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1C ZINC000072219019 570534565 /nfs/dbraw/zinc/53/45/65/570534565.db2.gz MZPRVZNULNUUBI-SFHVURJKSA-N 1 2 359.495 3.656 40 0 FHABLO CNc1[nH+]cc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1C ZINC000072219018 570534576 /nfs/dbraw/zinc/53/45/76/570534576.db2.gz MZPRVZNULNUUBI-GOSISDBHSA-N 1 2 359.495 3.656 40 0 FHABLO Cc1sc2[nH]c([C@H](C)[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)nc(=O)c2c1C ZINC000329939753 570665480 /nfs/dbraw/zinc/66/54/80/570665480.db2.gz FVVYZAYQDVVNLG-QVSJOPQTSA-N 1 2 360.483 3.711 40 0 FHABLO Cc1sc2[nH]c([C@H](C)[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)nc(=O)c2c1C ZINC000329939753 570665482 /nfs/dbraw/zinc/66/54/82/570665482.db2.gz FVVYZAYQDVVNLG-QVSJOPQTSA-N 1 2 360.483 3.711 40 0 FHABLO CCn1c(C)[nH+]c2cc(NC(=O)c3ccc(-n4nc(C)cc4C)nc3)ccc21 ZINC000019656334 570896892 /nfs/dbraw/zinc/89/68/92/570896892.db2.gz GJWSNZJYTMGVCR-UHFFFAOYSA-N 1 2 374.448 3.814 40 0 FHABLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000019659255 570897435 /nfs/dbraw/zinc/89/74/35/570897435.db2.gz CAHBYPYPCRPHKK-SFHVURJKSA-N 1 2 368.481 3.782 40 0 FHABLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000019659255 570897437 /nfs/dbraw/zinc/89/74/37/570897437.db2.gz CAHBYPYPCRPHKK-SFHVURJKSA-N 1 2 368.481 3.782 40 0 FHABLO CC(C)(C)c1[nH]c2ccc(NC(=O)c3ccc(-n4cccn4)nc3)cc2[nH+]1 ZINC000019663859 570897937 /nfs/dbraw/zinc/89/79/37/570897937.db2.gz DMCHHAIYRJYOIG-UHFFFAOYSA-N 1 2 360.421 3.693 40 0 FHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(C(C)C)cc1 ZINC000027232989 570974253 /nfs/dbraw/zinc/97/42/53/570974253.db2.gz WOFKYTJSQZAJSG-SFHVURJKSA-O 1 2 365.482 3.954 40 0 FHABLO S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1cc[nH+]cc1 ZINC000224017029 570975041 /nfs/dbraw/zinc/97/50/41/570975041.db2.gz XLHLWWDQTUXVGX-UHFFFAOYSA-N 1 2 361.898 3.770 40 0 FHABLO Cc1ccc(OC[C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000225115322 571015801 /nfs/dbraw/zinc/01/58/01/571015801.db2.gz HHXJOSVROQEMJN-SFHVURJKSA-N 1 2 363.461 3.746 40 0 FHABLO c1coc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)c1 ZINC000306137024 571040150 /nfs/dbraw/zinc/04/01/50/571040150.db2.gz QJGUYWSCZQYZIL-HXUWFJFHSA-N 1 2 360.417 3.563 40 0 FHABLO c1coc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)c1 ZINC000306137024 571040155 /nfs/dbraw/zinc/04/01/55/571040155.db2.gz QJGUYWSCZQYZIL-HXUWFJFHSA-N 1 2 360.417 3.563 40 0 FHABLO C[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328960557 571105015 /nfs/dbraw/zinc/10/50/15/571105015.db2.gz AZCALFDKUPFRJP-ZDUSSCGKSA-N 1 2 354.841 3.755 40 0 FHABLO COc1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc(OC)c1 ZINC000329009018 571107161 /nfs/dbraw/zinc/10/71/61/571107161.db2.gz LUSNSSUHYWEAKG-UHFFFAOYSA-N 1 2 368.481 3.703 40 0 FHABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)ccc1F ZINC000329042004 571108505 /nfs/dbraw/zinc/10/85/05/571108505.db2.gz SMIBTGMGUHGHLB-AWEZNQCLSA-N 1 2 352.413 3.549 40 0 FHABLO Clc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2COCc1ccncc1 ZINC000253493120 571136098 /nfs/dbraw/zinc/13/60/98/571136098.db2.gz SGYXBAMGCONIKM-SFHVURJKSA-N 1 2 358.869 3.543 40 0 FHABLO Clc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2COCc1ccncc1 ZINC000253493119 571136149 /nfs/dbraw/zinc/13/61/49/571136149.db2.gz SGYXBAMGCONIKM-GOSISDBHSA-N 1 2 358.869 3.543 40 0 FHABLO Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3c[nH+]cn3C)cs2)nc1 ZINC000257254687 571154807 /nfs/dbraw/zinc/15/48/07/571154807.db2.gz KEGJQEVGLZETJP-INIZCTEOSA-N 1 2 354.483 3.661 40 0 FHABLO Cc1ccc2c(c1)OC1(CC[NH+](Cc3c[nH]cn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257270877 571156644 /nfs/dbraw/zinc/15/66/44/571156644.db2.gz MVZXZFSXWOIURO-AZUAARDMSA-N 1 2 353.466 3.613 40 0 FHABLO Cc1ccc2c(c1)OC1(CC[NH+](Cc3cnc[nH]3)CC1)[C@H]1CCCO[C@H]21 ZINC000257270877 571156645 /nfs/dbraw/zinc/15/66/45/571156645.db2.gz MVZXZFSXWOIURO-AZUAARDMSA-N 1 2 353.466 3.613 40 0 FHABLO Cc1ncsc1C[N@@H+]1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257284602 571158123 /nfs/dbraw/zinc/15/81/23/571158123.db2.gz PDKSODOJTHSTQO-KRWDZBQOSA-N 1 2 373.453 3.743 40 0 FHABLO Cc1ncsc1C[N@H+]1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257284602 571158124 /nfs/dbraw/zinc/15/81/24/571158124.db2.gz PDKSODOJTHSTQO-KRWDZBQOSA-N 1 2 373.453 3.743 40 0 FHABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)s1 ZINC000257310016 571160437 /nfs/dbraw/zinc/16/04/37/571160437.db2.gz UDJIWUFJASJZTB-KRWDZBQOSA-N 1 2 367.478 3.559 40 0 FHABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)s1 ZINC000257310016 571160438 /nfs/dbraw/zinc/16/04/38/571160438.db2.gz UDJIWUFJASJZTB-KRWDZBQOSA-N 1 2 367.478 3.559 40 0 FHABLO Fc1ccc(-c2cnc3nccc([C@@H]4CCN(c5cccc[nH+]5)C4)n23)cc1 ZINC000257313334 571161015 /nfs/dbraw/zinc/16/10/15/571161015.db2.gz URXRMLBNMOFDIS-MRXNPFEDSA-N 1 2 359.408 3.924 40 0 FHABLO Cc1ccc(Nc2nc([C@H]3CCC[N@H+]3Cc3ccnn3C)cs2)nc1 ZINC000257314463 571161058 /nfs/dbraw/zinc/16/10/58/571161058.db2.gz UXCCUTZTHICFSD-MRXNPFEDSA-N 1 2 354.483 3.661 40 0 FHABLO Cc1ccc(Nc2nc([C@H]3CCC[N@@H+]3Cc3ccnn3C)cs2)nc1 ZINC000257314463 571161060 /nfs/dbraw/zinc/16/10/60/571161060.db2.gz UXCCUTZTHICFSD-MRXNPFEDSA-N 1 2 354.483 3.661 40 0 FHABLO COc1ccc(Cc2cnc([C@@H]3CCCN3c3cc(C)[nH+]cn3)o2)cc1 ZINC000257328799 571162546 /nfs/dbraw/zinc/16/25/46/571162546.db2.gz XHEAZRKZFAMJQS-SFHVURJKSA-N 1 2 350.422 3.714 40 0 FHABLO COC(C)(C)C(=O)N1CCC(c2ccc(Nc3[nH+]cccc3C)cn2)CC1 ZINC000072374349 571185321 /nfs/dbraw/zinc/18/53/21/571185321.db2.gz POJCEAIRFFOFPY-UHFFFAOYSA-N 1 2 368.481 3.660 40 0 FHABLO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[N@@H+]2CCc2ccccc2)[nH]n1 ZINC000072380537 571188102 /nfs/dbraw/zinc/18/81/02/571188102.db2.gz QZXBZTLECWIKNS-NRFANRHFSA-N 1 2 366.509 3.852 40 0 FHABLO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[N@H+]2CCc2ccccc2)[nH]n1 ZINC000072380537 571188104 /nfs/dbraw/zinc/18/81/04/571188104.db2.gz QZXBZTLECWIKNS-NRFANRHFSA-N 1 2 366.509 3.852 40 0 FHABLO COc1ccc(Oc2cc(C)nc([C@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000072384337 571189024 /nfs/dbraw/zinc/18/90/24/571189024.db2.gz NKZQUFWKNQMFNZ-QGZVFWFLSA-N 1 2 365.437 3.646 40 0 FHABLO CCn1cc[nH+]c1CN1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384467 571189267 /nfs/dbraw/zinc/18/92/67/571189267.db2.gz BIJCXASHCJAXAF-SFHVURJKSA-N 1 2 367.428 3.962 40 0 FHABLO Cc1ccc(-c2cn3c4c(n(C)c3[nH+]2)CCN(Cc2cccnc2)C4)cc1 ZINC000306131490 571213844 /nfs/dbraw/zinc/21/38/44/571213844.db2.gz KGHPNGGEEXQUMO-UHFFFAOYSA-N 1 2 357.461 3.602 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000306130687 571213919 /nfs/dbraw/zinc/21/39/19/571213919.db2.gz JNAYRQDIYAATRT-HKUYNNGSSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000306130687 571213920 /nfs/dbraw/zinc/21/39/20/571213920.db2.gz JNAYRQDIYAATRT-HKUYNNGSSA-N 1 2 371.483 3.763 40 0 FHABLO COc1ccc(OC)c([C@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C)c1 ZINC000019498292 571303976 /nfs/dbraw/zinc/30/39/76/571303976.db2.gz UNIQDOGKVALDTM-VBKZILBWSA-N 1 2 366.461 3.838 40 0 FHABLO COc1ccc(OC)c([C@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C)c1 ZINC000019498292 571303977 /nfs/dbraw/zinc/30/39/77/571303977.db2.gz UNIQDOGKVALDTM-VBKZILBWSA-N 1 2 366.461 3.838 40 0 FHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2ccc(-c3ccccc3F)cn2)C1 ZINC000019692589 571304335 /nfs/dbraw/zinc/30/43/35/571304335.db2.gz OAWPVWMRRFVHAV-NRFANRHFSA-N 1 2 366.440 3.503 40 0 FHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2ccc(-c3ccccc3F)cn2)C1 ZINC000019692589 571304337 /nfs/dbraw/zinc/30/43/37/571304337.db2.gz OAWPVWMRRFVHAV-NRFANRHFSA-N 1 2 366.440 3.503 40 0 FHABLO Cc1ccc(Nc2nc([C@H]3CCC[N@H+](Cc4cnc[nH]4)C3)cs2)nc1 ZINC000257297099 571321773 /nfs/dbraw/zinc/32/17/73/571321773.db2.gz RFVPHXUZLHARCJ-AWEZNQCLSA-N 1 2 354.483 3.693 40 0 FHABLO Cc1ccc(Nc2nc([C@H]3CCC[N@@H+](Cc4cnc[nH]4)C3)cs2)nc1 ZINC000257297099 571321774 /nfs/dbraw/zinc/32/17/74/571321774.db2.gz RFVPHXUZLHARCJ-AWEZNQCLSA-N 1 2 354.483 3.693 40 0 FHABLO Cc1[nH+]cc(-c2ccc(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)cn2)n1C ZINC000257338297 210003091 /nfs/dbraw/zinc/00/30/91/210003091.db2.gz YWUAUTGIWIHEOC-KRWDZBQOSA-N 1 2 354.498 3.618 40 0 FHABLO O=C(c1cnc2ccccc2c1)N1CCC[C@@H](c2cccc3[nH+]ccn32)C1 ZINC000257327909 210000492 /nfs/dbraw/zinc/00/04/92/210000492.db2.gz XDHSIHSBOXIUGO-QGZVFWFLSA-N 1 2 356.429 3.902 40 0 FHABLO O=C(c1cccs1)N1CCC2(CCn3c(-c4ccncc4)c[nH+]c32)CC1 ZINC000096263429 209147369 /nfs/dbraw/zinc/14/73/69/209147369.db2.gz CEXBOVMOMINVPT-UHFFFAOYSA-N 1 2 364.474 3.584 40 0 FHABLO Cc1ccc(SCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000038836745 208208780 /nfs/dbraw/zinc/20/87/80/208208780.db2.gz KMTZRPRVFGWKTL-UHFFFAOYSA-N 1 2 351.475 3.762 40 0 FHABLO CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000044911941 208321331 /nfs/dbraw/zinc/32/13/31/208321331.db2.gz IRBVSNLJAOZEJR-UHFFFAOYSA-N 1 2 363.417 3.669 40 0 FHABLO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000044935030 208322744 /nfs/dbraw/zinc/32/27/44/208322744.db2.gz QNXMPWNEHZCGPU-SFHVURJKSA-N 1 2 352.478 3.627 40 0 FHABLO CC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669808 136129900 /nfs/dbraw/zinc/12/99/00/136129900.db2.gz KWHJYBDMLGXOGW-GOSISDBHSA-N 1 2 370.545 3.708 40 0 FHABLO CCC(C)(C)n1nnnc1[C@H](CC(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669932 136129920 /nfs/dbraw/zinc/12/99/20/136129920.db2.gz XCONHBBLZBHMLH-IBGZPJMESA-N 1 2 370.545 3.728 40 0 FHABLO Cc1ccc(N2CC[NH+](Cc3nnc(-c4ccccc4C)o3)CC2)c(C)c1 ZINC000058024098 136130426 /nfs/dbraw/zinc/13/04/26/136130426.db2.gz NZHWGULKDCJPGM-UHFFFAOYSA-N 1 2 362.477 3.984 40 0 FHABLO Cc1cccc(N2CC[N@@H+](CC(=O)Nc3cc(F)ccc3C)C[C@H]2C)c1 ZINC000005751599 263343131 /nfs/dbraw/zinc/34/31/31/263343131.db2.gz OQLCALOGKPWBHI-QGZVFWFLSA-N 1 2 355.457 3.592 40 0 FHABLO Cc1cccc(N2CC[N@H+](CC(=O)Nc3cc(F)ccc3C)C[C@H]2C)c1 ZINC000005751599 263343133 /nfs/dbraw/zinc/34/31/33/263343133.db2.gz OQLCALOGKPWBHI-QGZVFWFLSA-N 1 2 355.457 3.592 40 0 FHABLO O=C(c1ccc(F)c(F)c1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000028210967 263389896 /nfs/dbraw/zinc/38/98/96/263389896.db2.gz NFBLNLHRPOTNBC-QPJJXVBHSA-N 1 2 360.379 3.575 40 0 FHABLO CCN(CC)c1cc(NC[C@H]2CCCCN2C(=O)OC(C)(C)C)[nH+]cn1 ZINC000079440089 520878581 /nfs/dbraw/zinc/87/85/81/520878581.db2.gz XRWUQSHQJHLQRU-OAHLLOKOSA-N 1 2 363.506 3.524 40 0 FHABLO CCN(CC)c1cc(NC[C@H]2CCCCN2C(=O)OC(C)(C)C)nc[nH+]1 ZINC000079440089 520878586 /nfs/dbraw/zinc/87/85/86/520878586.db2.gz XRWUQSHQJHLQRU-OAHLLOKOSA-N 1 2 363.506 3.524 40 0 FHABLO CCCC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669750 534942337 /nfs/dbraw/zinc/94/23/37/534942337.db2.gz RSHLXLHMWJTULD-SFHVURJKSA-N 1 2 374.508 3.621 40 0 FHABLO CC(C)(C)C[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000514288548 560034553 /nfs/dbraw/zinc/03/45/53/560034553.db2.gz HYSBITGMWBFSHD-KBPBESRZSA-N 1 2 361.461 3.703 40 0 biogenic,in-vitro FHABLO CC(C)(C)C[N@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000514288548 560034554 /nfs/dbraw/zinc/03/45/54/560034554.db2.gz HYSBITGMWBFSHD-KBPBESRZSA-N 1 2 361.461 3.703 40 0 biogenic,in-vitro FHABLO COc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000096112298 560060893 /nfs/dbraw/zinc/06/08/93/560060893.db2.gz VTGCOMMDBJQWJS-XLIONFOSSA-N 1 2 369.440 3.619 40 0 biogenic,in-vitro FHABLO COc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000096112298 560060895 /nfs/dbraw/zinc/06/08/95/560060895.db2.gz VTGCOMMDBJQWJS-XLIONFOSSA-N 1 2 369.440 3.619 40 0 biogenic,in-vitro FHABLO COc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000096112298 560060897 /nfs/dbraw/zinc/06/08/97/560060897.db2.gz VTGCOMMDBJQWJS-XLIONFOSSA-N 1 2 369.440 3.619 40 0 biogenic,in-vitro FHABLO COc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000096112298 560060899 /nfs/dbraw/zinc/06/08/99/560060899.db2.gz VTGCOMMDBJQWJS-XLIONFOSSA-N 1 2 369.440 3.619 40 0 biogenic,in-vitro FHABLO CC[NH+](CC)CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O ZINC000408718317 570672632 /nfs/dbraw/zinc/67/26/32/570672632.db2.gz JVCBEAXBMIOONT-UKTHLTGXSA-N 1 2 369.284 3.785 40 0 FHABLO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000012255321 570731241 /nfs/dbraw/zinc/73/12/41/570731241.db2.gz ZLOYVLVSFTVJIM-LSSBLYJVSA-N 1 2 362.477 3.945 40 0 FHABLO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](c2cc3nc(C)c(C)c(=O)n3[nH]2)C1 ZINC000012255321 570731248 /nfs/dbraw/zinc/73/12/48/570731248.db2.gz ZLOYVLVSFTVJIM-LSSBLYJVSA-N 1 2 362.477 3.945 40 0 FHABLO Cc1csc2c([C@@H]3CCN(C(=O)c4cc(C5CC5)on4)C3)[nH+]c(C)n12 ZINC000019240513 570884159 /nfs/dbraw/zinc/88/41/59/570884159.db2.gz BVSRNEARQJHAAX-CYBMUJFWSA-N 1 2 356.451 3.508 40 0 FHABLO Cc1csc([C@H](Cc2ccsc2)NC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC000019240149 570884167 /nfs/dbraw/zinc/88/41/67/570884167.db2.gz LDHCAHWORXONSH-ZFWWWQNUSA-N 1 2 360.508 3.761 40 0 FHABLO Cc1nc([C@@H](Cc2ccsc2)NC(=O)CCn2cc[nH+]c2)sc1C ZINC000019559761 570893186 /nfs/dbraw/zinc/89/31/86/570893186.db2.gz BVJFSVBMRDNCSW-OAHLLOKOSA-N 1 2 360.508 3.508 40 0 FHABLO Cc1ccc(-c2cc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)no2)cc1 ZINC000019665384 570897867 /nfs/dbraw/zinc/89/78/67/570897867.db2.gz RJZMTUGTTZXYMR-SFHVURJKSA-N 1 2 352.438 3.691 40 0 FHABLO O=S(=O)(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc2ccccc2c1 ZINC000020112396 570910556 /nfs/dbraw/zinc/91/05/56/570910556.db2.gz GYIQEHSEHLBVEH-UHFFFAOYSA-N 1 2 363.442 3.504 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000306135292 571039643 /nfs/dbraw/zinc/03/96/43/571039643.db2.gz OMNOJRDGMGDTEL-VQIMIIECSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000306135292 571039649 /nfs/dbraw/zinc/03/96/49/571039649.db2.gz OMNOJRDGMGDTEL-VQIMIIECSA-N 1 2 371.483 3.763 40 0 FHABLO O=C(CSCc1ccc(F)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044848352 571102884 /nfs/dbraw/zinc/10/28/84/571102884.db2.gz XSOSCCWQWWZIGO-UHFFFAOYSA-N 1 2 355.438 3.561 40 0 FHABLO CC(C)(C)Nc1nc(NCc2ccc(F)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328966566 571105309 /nfs/dbraw/zinc/10/53/09/571105309.db2.gz CMOQHBQRHOBBQE-UHFFFAOYSA-N 1 2 351.429 3.922 40 0 FHABLO CC[C@H](C)Nc1nc(Nc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000328968894 571105333 /nfs/dbraw/zinc/10/53/33/571105333.db2.gz DBCAZJHSSJLDEP-NSHDSACASA-N 1 2 361.287 3.914 40 0 FHABLO CC(C)(C)Nc1nc(NCc2ccccc2F)cc(-c2cccnc2)[nH+]1 ZINC000328973133 571105689 /nfs/dbraw/zinc/10/56/89/571105689.db2.gz DZCAUYMIJQGSOE-UHFFFAOYSA-N 1 2 351.429 3.922 40 0 FHABLO CNc1nc(Nc2cccc(Br)c2C)cc(-c2ccccc2)[nH+]1 ZINC000329021272 571107433 /nfs/dbraw/zinc/10/74/33/571107433.db2.gz OFMXYICLWCLUGG-UHFFFAOYSA-N 1 2 369.266 3.844 40 0 FHABLO CC[C@@H](C)Nc1nc(NCc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329027689 571107679 /nfs/dbraw/zinc/10/76/79/571107679.db2.gz PSSVPUOYBKDRSE-OAHLLOKOSA-N 1 2 350.441 3.949 40 0 FHABLO CCc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329059647 571108975 /nfs/dbraw/zinc/10/89/75/571108975.db2.gz WIORBLIMQGAQOM-GOSISDBHSA-N 1 2 354.498 3.819 40 0 FHABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2csc(C)n2)CCO3)s1 ZINC000248123305 571127856 /nfs/dbraw/zinc/12/78/56/571127856.db2.gz WBHAMCOGFSNTEO-INIZCTEOSA-N 1 2 364.536 3.772 40 0 FHABLO COc1ccccc1/C=C/C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000255941747 571139901 /nfs/dbraw/zinc/13/99/01/571139901.db2.gz VQMNMCOHLBITLE-CDITWBNYSA-N 1 2 362.473 3.566 40 0 FHABLO Cc1ccc(Nc2nc([C@@H]3CCC[N@H+](Cc4ncc[nH]4)C3)cs2)nc1 ZINC000257247438 571154211 /nfs/dbraw/zinc/15/42/11/571154211.db2.gz IZAHNUDWNUUNHO-CQSZACIVSA-N 1 2 354.483 3.693 40 0 FHABLO Cc1ccc(Nc2nc([C@@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)cs2)nc1 ZINC000257247438 571154215 /nfs/dbraw/zinc/15/42/15/571154215.db2.gz IZAHNUDWNUUNHO-CQSZACIVSA-N 1 2 354.483 3.693 40 0 FHABLO Cc1ccc(Nc2nc([C@H]3CCCN3Cc3[nH+]ccn3C)cs2)nc1 ZINC000257323032 571162008 /nfs/dbraw/zinc/16/20/08/571162008.db2.gz WIMOQTCJRICSDC-OAHLLOKOSA-N 1 2 354.483 3.661 40 0 FHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072378952 571187230 /nfs/dbraw/zinc/18/72/30/571187230.db2.gz YTVIYNZXSGRRCG-QGZVFWFLSA-N 1 2 352.482 3.726 40 0 FHABLO Cc1ccoc1C(=O)N1Cc2cccn2C[C@H](CCNc2cccc[nH+]2)C1 ZINC000585095543 571220305 /nfs/dbraw/zinc/22/03/05/571220305.db2.gz VXLCIYOUVYTVFT-KRWDZBQOSA-N 1 2 364.449 3.559 40 0 FHABLO Fc1cccc(C[N@@H+](Cc2ccnn2[C@H]2CCCCO2)C[C@H]2CCCO2)c1 ZINC000247553050 571290778 /nfs/dbraw/zinc/29/07/78/571290778.db2.gz WKFDTFIGJCVQGL-NHCUHLMSSA-N 1 2 373.472 3.903 40 0 FHABLO Fc1cccc(C[N@H+](Cc2ccnn2[C@H]2CCCCO2)C[C@H]2CCCO2)c1 ZINC000247553050 571290779 /nfs/dbraw/zinc/29/07/79/571290779.db2.gz WKFDTFIGJCVQGL-NHCUHLMSSA-N 1 2 373.472 3.903 40 0 FHABLO COc1ccc([C@@H]([NH3+])c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC ZINC000095533882 571331357 /nfs/dbraw/zinc/33/13/57/571331357.db2.gz INYNGQWQOSXUFT-GOSISDBHSA-N 1 2 366.465 3.835 40 0 FHABLO Cc1cc(F)ccc1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000329062244 210135845 /nfs/dbraw/zinc/13/58/45/210135845.db2.gz WWASWLZCBWPVSU-UHFFFAOYSA-N 1 2 352.413 3.551 40 0 FHABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)ccc1F ZINC000329042005 210132649 /nfs/dbraw/zinc/13/26/49/210132649.db2.gz SMIBTGMGUHGHLB-CQSZACIVSA-N 1 2 352.413 3.549 40 0 FHABLO Cc1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328979178 210129541 /nfs/dbraw/zinc/12/95/41/210129541.db2.gz GDVPJUOYUAJAHR-INIZCTEOSA-N 1 2 360.889 3.910 40 0 FHABLO Cc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NC2CCCC2)n1 ZINC000329006285 210129351 /nfs/dbraw/zinc/12/93/51/210129351.db2.gz LCEOEHUGYSSKBK-UHFFFAOYSA-N 1 2 359.477 3.657 40 0 FHABLO CNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328980477 210128834 /nfs/dbraw/zinc/12/88/34/210128834.db2.gz GNWAAJJNYGRQRP-UHFFFAOYSA-N 1 2 361.232 3.785 40 0 FHABLO CC(=O)Nc1cccc(NC(=O)CCn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000000880779 219335696 /nfs/dbraw/zinc/33/56/96/219335696.db2.gz ZDYSMTNJGQAFSL-UHFFFAOYSA-N 1 2 350.422 3.640 40 0 FHABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1F ZINC000000929265 219341726 /nfs/dbraw/zinc/34/17/26/219341726.db2.gz DXSHEMCWPLGDSK-UHFFFAOYSA-N 1 2 364.405 3.930 40 0 FHABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)s1 ZINC000257210809 223020164 /nfs/dbraw/zinc/02/01/64/223020164.db2.gz BWHSVDWBVHMGSX-SFHVURJKSA-N 1 2 367.478 3.559 40 0 FHABLO Cc1ncc(C[N@H+]2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)s1 ZINC000257210809 223020169 /nfs/dbraw/zinc/02/01/69/223020169.db2.gz BWHSVDWBVHMGSX-SFHVURJKSA-N 1 2 367.478 3.559 40 0 FHABLO CCOc1ccccc1C(=O)NC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036646323 211673122 /nfs/dbraw/zinc/67/31/22/211673122.db2.gz ZZNLEFHWNBVEOA-UHFFFAOYSA-N 1 2 352.478 3.727 40 0 FHABLO CCCn1cc(-c2c[nH+]cn2CC2(c3ccccc3)CCOCC2)cn1 ZINC000019719663 211252558 /nfs/dbraw/zinc/25/25/58/211252558.db2.gz LBLSSSCWGQDCGH-UHFFFAOYSA-N 1 2 350.466 3.905 40 0 FHABLO O=C(NCC1(c2ccccc2F)CCCC1)c1ccc(Cn2cc[nH+]c2)o1 ZINC000019347951 211216852 /nfs/dbraw/zinc/21/68/52/211216852.db2.gz HSQCVFZDVAZSNI-UHFFFAOYSA-N 1 2 367.424 3.905 40 0 FHABLO O=C(Cn1cc[nH+]c1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000019292632 211213407 /nfs/dbraw/zinc/21/34/07/211213407.db2.gz WXQJGBLVYSRDEM-UHFFFAOYSA-N 1 2 367.261 3.876 40 0 FHABLO O=C(NCCCn1cc[nH+]c1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687858 211048743 /nfs/dbraw/zinc/04/87/43/211048743.db2.gz ULDYROAYXVRTOO-UHFFFAOYSA-N 1 2 369.852 3.936 40 0 FHABLO CNc1cc([C@H]2CCCN2C(=O)C2(c3ccc(OC)cc3)CC2)cc[nH+]1 ZINC000257302385 533054603 /nfs/dbraw/zinc/05/46/03/533054603.db2.gz SCSNYQNGASLYQF-GOSISDBHSA-N 1 2 351.450 3.527 40 0 FHABLO C[C@H]1CCC[N@@H+]([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)C1 ZINC000020143269 220315642 /nfs/dbraw/zinc/31/56/42/220315642.db2.gz XTBUYGUTNMGODQ-LPHOPBHVSA-N 1 2 367.522 3.799 40 0 FHABLO C[C@H]1CCC[N@H+]([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)C1 ZINC000020143269 220315646 /nfs/dbraw/zinc/31/56/46/220315646.db2.gz XTBUYGUTNMGODQ-LPHOPBHVSA-N 1 2 367.522 3.799 40 0 FHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072378865 221488249 /nfs/dbraw/zinc/48/82/49/221488249.db2.gz YIDUCDLSWBZXBM-SFHVURJKSA-N 1 2 360.461 3.850 40 0 FHABLO CCC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669671 136129804 /nfs/dbraw/zinc/12/98/04/136129804.db2.gz MOGZKOFSCMJTOA-SFHVURJKSA-N 1 2 370.545 3.708 40 0 FHABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669865 136129889 /nfs/dbraw/zinc/12/98/89/136129889.db2.gz SVKAQYVXKWBOLA-SFHVURJKSA-N 1 2 374.508 3.621 40 0 FHABLO Cc1ccc(S[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000031851980 263392342 /nfs/dbraw/zinc/39/23/42/263392342.db2.gz FMUBAYYWDNQNSM-GOSISDBHSA-N 1 2 354.519 3.820 40 0 FHABLO O=C(c1ccc2ccccc2n1)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257334566 534727750 /nfs/dbraw/zinc/72/77/50/534727750.db2.gz YGLXXOFFOBVNMO-UHFFFAOYSA-N 1 2 356.429 3.902 40 0 FHABLO CC(C)c1ccc(OCCc2cc([C@@H]3C[N@H+](CC4CC4)CCO3)n[nH]2)cc1 ZINC000257224820 528123761 /nfs/dbraw/zinc/12/37/61/528123761.db2.gz FDNCDGRYLLTCBF-QFIPXVFZSA-N 1 2 369.509 3.938 40 0 FHABLO CC(C)c1ccc(OCCc2cc([C@@H]3C[N@@H+](CC4CC4)CCO3)n[nH]2)cc1 ZINC000257224820 528123765 /nfs/dbraw/zinc/12/37/65/528123765.db2.gz FDNCDGRYLLTCBF-QFIPXVFZSA-N 1 2 369.509 3.938 40 0 FHABLO CCCNc1[nH+]cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213143 570528768 /nfs/dbraw/zinc/52/87/68/570528768.db2.gz MASZKNHNSVTUNI-SFHVURJKSA-N 1 2 359.495 3.738 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(NC3CC3)[nH+]c2)cc1 ZINC000072213816 570529224 /nfs/dbraw/zinc/52/92/24/570529224.db2.gz KUEWRVFTXQEPFM-LJQANCHMSA-N 1 2 371.506 3.880 40 0 FHABLO Cc1cc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]c1N1CCOCC1 ZINC000072219369 570534388 /nfs/dbraw/zinc/53/43/88/570534388.db2.gz XKDWKFSXRHWGJJ-QGZVFWFLSA-N 1 2 361.486 3.689 40 0 FHABLO Cc1cccc(OC[C@H](O)CN(Cc2ccsc2)c2cccc[nH+]2)c1 ZINC000006491091 570647910 /nfs/dbraw/zinc/64/79/10/570647910.db2.gz DEYQADVDPQDUIS-GOSISDBHSA-N 1 2 354.475 3.898 40 0 FHABLO Clc1ccc([C@H](c2nnnn2CCc2ccccc2)[NH+]2CCCC2)cc1 ZINC000004860135 570671917 /nfs/dbraw/zinc/67/19/17/570671917.db2.gz SSACJNUGRMRZCV-LJQANCHMSA-N 1 2 367.884 3.754 40 0 FHABLO O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1 ZINC000004966638 570675516 /nfs/dbraw/zinc/67/55/16/570675516.db2.gz SEYKADVCXVAPSP-UHFFFAOYSA-N 1 2 356.853 3.873 40 0 FHABLO C[C@@H](NC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1)c1ccccc1 ZINC000012116342 570719743 /nfs/dbraw/zinc/71/97/43/570719743.db2.gz FNIHXDXUCBCEBP-MRXNPFEDSA-N 1 2 362.477 3.667 40 0 FHABLO CCc1nc2cc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)ccc2n1C ZINC000012147373 570723251 /nfs/dbraw/zinc/72/32/51/570723251.db2.gz JNIIZXXCSWABFG-UHFFFAOYSA-N 1 2 359.433 3.633 40 0 FHABLO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000012221702 570729116 /nfs/dbraw/zinc/72/91/16/570729116.db2.gz KHKPZEGEWFNNJZ-IBGZPJMESA-N 1 2 355.388 3.537 40 0 FHABLO Cc1ccc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cc1 ZINC000012666887 570755928 /nfs/dbraw/zinc/75/59/28/570755928.db2.gz XNGNRGFVCATXOC-UHFFFAOYSA-N 1 2 350.466 3.599 40 0 FHABLO Cc1ccc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cc1 ZINC000012666887 570755949 /nfs/dbraw/zinc/75/59/49/570755949.db2.gz XNGNRGFVCATXOC-UHFFFAOYSA-N 1 2 350.466 3.599 40 0 FHABLO Oc1cccc(C[NH+]2CCN(C(=S)Nc3ccccc3Cl)CC2)c1 ZINC000225219980 571022482 /nfs/dbraw/zinc/02/24/82/571022482.db2.gz SEDTUFLISPJLBO-UHFFFAOYSA-N 1 2 361.898 3.560 40 0 FHABLO Cc1cccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)c1Cl ZINC000225225091 571022902 /nfs/dbraw/zinc/02/29/02/571022902.db2.gz ZLJJLYDTZSCSJC-UHFFFAOYSA-N 1 2 360.914 3.558 40 0 FHABLO Cc1ccc(C)c(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000038229614 571085153 /nfs/dbraw/zinc/08/51/53/571085153.db2.gz GAFBJDUARWOUAN-UHFFFAOYSA-N 1 2 369.534 3.622 40 0 FHABLO O=C(c1cc2ccccc2s1)N1Cc2c[nH+]cn2[C@H](COCC2CC2)C1 ZINC000247955873 571126529 /nfs/dbraw/zinc/12/65/29/571126529.db2.gz VFPGVVTUDUVSEX-KRWDZBQOSA-N 1 2 367.474 3.722 40 0 FHABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257319751 571161668 /nfs/dbraw/zinc/16/16/68/571161668.db2.gz VTYHOVBEMFGRKG-CYBMUJFWSA-N 1 2 372.523 3.821 40 0 FHABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257319751 571161669 /nfs/dbraw/zinc/16/16/69/571161669.db2.gz VTYHOVBEMFGRKG-CYBMUJFWSA-N 1 2 372.523 3.821 40 0 FHABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2cccnc2)n1 ZINC000072378873 571187445 /nfs/dbraw/zinc/18/74/45/571187445.db2.gz XTYJJZCMDWYVAG-SFHVURJKSA-N 1 2 361.449 3.763 40 0 FHABLO CCc1ncc(C[N@@H+]2CCC[C@H]2c2n[nH]cc2-c2ccc(F)cc2)cn1 ZINC000072380394 571188066 /nfs/dbraw/zinc/18/80/66/571188066.db2.gz LEXPLXDKSBUJKA-SFHVURJKSA-N 1 2 351.429 3.905 40 0 FHABLO CCc1ncc(C[N@H+]2CCC[C@H]2c2n[nH]cc2-c2ccc(F)cc2)cn1 ZINC000072380394 571188068 /nfs/dbraw/zinc/18/80/68/571188068.db2.gz LEXPLXDKSBUJKA-SFHVURJKSA-N 1 2 351.429 3.905 40 0 FHABLO CCc1ncc(C[N@@H+]2CCC[C@@H]2c2n[nH]cc2-c2cccc(OC)c2)cn1 ZINC000072380397 571188174 /nfs/dbraw/zinc/18/81/74/571188174.db2.gz LRGHODRMRNHIAJ-LJQANCHMSA-N 1 2 363.465 3.775 40 0 FHABLO CCc1ncc(C[N@H+]2CCC[C@@H]2c2n[nH]cc2-c2cccc(OC)c2)cn1 ZINC000072380397 571188175 /nfs/dbraw/zinc/18/81/75/571188175.db2.gz LRGHODRMRNHIAJ-LJQANCHMSA-N 1 2 363.465 3.775 40 0 FHABLO Cc1ccccc1C[N@H+]1CCc2oc(C(=O)N3C[C@H](C)C[C@@H](C)C3)nc2C1 ZINC000585111844 571225812 /nfs/dbraw/zinc/22/58/12/571225812.db2.gz HPNJJDHKRLHMGD-HZPDHXFCSA-N 1 2 367.493 3.659 40 0 FHABLO Cc1ccccc1C[N@@H+]1CCc2oc(C(=O)N3C[C@H](C)C[C@@H](C)C3)nc2C1 ZINC000585111844 571225813 /nfs/dbraw/zinc/22/58/13/571225813.db2.gz HPNJJDHKRLHMGD-HZPDHXFCSA-N 1 2 367.493 3.659 40 0 FHABLO Fc1ccc(C[N@@H+]2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000019693178 571304381 /nfs/dbraw/zinc/30/43/81/571304381.db2.gz HRCYLCIGJFNMMW-LJQANCHMSA-N 1 2 367.399 3.995 40 0 FHABLO Fc1ccc(C[N@H+]2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000019693178 571304382 /nfs/dbraw/zinc/30/43/82/571304382.db2.gz HRCYLCIGJFNMMW-LJQANCHMSA-N 1 2 367.399 3.995 40 0 FHABLO c1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329049530 210133972 /nfs/dbraw/zinc/13/39/72/210133972.db2.gz UPKCNVPLKJDJLT-UHFFFAOYSA-N 1 2 359.477 3.739 40 0 FHABLO COc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NC(C)(C)C)n2)c1 ZINC000328973137 210127230 /nfs/dbraw/zinc/12/72/30/210127230.db2.gz DZDRHAYQOWCOJG-UHFFFAOYSA-N 1 2 363.465 3.792 40 0 FHABLO CCNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@@H](C)CC)n1 ZINC000328958523 210126550 /nfs/dbraw/zinc/12/65/50/210126550.db2.gz APRWJKYBODVNLD-NSHDSACASA-N 1 2 354.376 3.528 40 0 FHABLO CC(C)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328956409 210125019 /nfs/dbraw/zinc/12/50/19/210125019.db2.gz AGANSRQFQNYGAJ-UHFFFAOYSA-N 1 2 354.351 3.920 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306143148 210058306 /nfs/dbraw/zinc/05/83/06/210058306.db2.gz XUOQUMGRIBXSRD-LPHOPBHVSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306143148 210058309 /nfs/dbraw/zinc/05/83/09/210058309.db2.gz XUOQUMGRIBXSRD-LPHOPBHVSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306144322 210056814 /nfs/dbraw/zinc/05/68/14/210056814.db2.gz ZCEPWCZINWGQTG-QFBILLFUSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306144322 210056817 /nfs/dbraw/zinc/05/68/17/210056817.db2.gz ZCEPWCZINWGQTG-QFBILLFUSA-N 1 2 371.483 3.763 40 0 FHABLO CCn1cc(C[N@@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)cn1 ZINC000306132080 210053570 /nfs/dbraw/zinc/05/35/70/210053570.db2.gz KXQSNIYUTFEHPZ-FQEVSTJZSA-N 1 2 372.476 3.950 40 0 FHABLO CCn1cc(C[N@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)cn1 ZINC000306132080 210053577 /nfs/dbraw/zinc/05/35/77/210053577.db2.gz KXQSNIYUTFEHPZ-FQEVSTJZSA-N 1 2 372.476 3.950 40 0 FHABLO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)cn1 ZINC000306132081 210053681 /nfs/dbraw/zinc/05/36/81/210053681.db2.gz KXQSNIYUTFEHPZ-HXUWFJFHSA-N 1 2 372.476 3.950 40 0 FHABLO CCn1cc(C[N@H+]2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)cn1 ZINC000306132081 210053687 /nfs/dbraw/zinc/05/36/87/210053687.db2.gz KXQSNIYUTFEHPZ-HXUWFJFHSA-N 1 2 372.476 3.950 40 0 FHABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cc3coc4cc(C)ccc34)C2)[nH+]1 ZINC000257249437 223037258 /nfs/dbraw/zinc/03/72/58/223037258.db2.gz JIICFLGPEBUGCU-MRXNPFEDSA-N 1 2 351.450 3.732 40 0 FHABLO Cc1onc(C(C)C)c1C(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257316603 223063641 /nfs/dbraw/zinc/06/36/41/223063641.db2.gz VGGOLIKJMCHJPN-INIZCTEOSA-N 1 2 350.422 3.700 40 0 FHABLO Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3[nH+]ccn3C)cs2)nc1 ZINC000257323031 223066105 /nfs/dbraw/zinc/06/61/05/223066105.db2.gz WIMOQTCJRICSDC-HNNXBMFYSA-N 1 2 354.483 3.661 40 0 FHABLO Cc1cc2nc(NC(=O)C[N@@H+]3CCc4ccccc4C3)sc2cc1C ZINC000014608262 220128685 /nfs/dbraw/zinc/12/86/85/220128685.db2.gz VQXBVMDYGSQQRF-UHFFFAOYSA-N 1 2 351.475 3.910 40 0 FHABLO Cc1cc2nc(NC(=O)C[N@H+]3CCc4ccccc4C3)sc2cc1C ZINC000014608262 220128688 /nfs/dbraw/zinc/12/86/88/220128688.db2.gz VQXBVMDYGSQQRF-UHFFFAOYSA-N 1 2 351.475 3.910 40 0 FHABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000015674077 220158719 /nfs/dbraw/zinc/15/87/19/220158719.db2.gz LJEXSUISHNBWDB-SJORKVTESA-N 1 2 355.825 3.698 40 0 biogenic,in-vitro FHABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000015674077 220158724 /nfs/dbraw/zinc/15/87/24/220158724.db2.gz LJEXSUISHNBWDB-SJORKVTESA-N 1 2 355.825 3.698 40 0 biogenic,in-vitro FHABLO CCCCc1c(C)nc2ccc(Br)cc2c1SC(N)[NH3+] ZINC000019326469 220249683 /nfs/dbraw/zinc/24/96/83/220249683.db2.gz APMUURRIHSFEEL-UHFFFAOYSA-N 1 2 354.317 3.941 40 0 FHABLO FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3CC3CC3)n2)cc1 ZINC000067898716 211286540 /nfs/dbraw/zinc/28/65/40/211286540.db2.gz RTDHNQQHIABDAJ-INIZCTEOSA-N 1 2 367.371 3.759 40 0 biogenic,in-vitro FHABLO FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3CC3CC3)n2)cc1 ZINC000067898716 211286545 /nfs/dbraw/zinc/28/65/45/211286545.db2.gz RTDHNQQHIABDAJ-INIZCTEOSA-N 1 2 367.371 3.759 40 0 biogenic,in-vitro FHABLO Fc1ccc(-c2cc(CC3([NH2+]Cc4ccccc4F)COC3)no2)cc1 ZINC000067897868 211274893 /nfs/dbraw/zinc/27/48/93/211274893.db2.gz TVFFGMKFHZWZGE-UHFFFAOYSA-N 1 2 356.372 3.721 40 0 biogenic,in-vitro FHABLO CC(C)c1[nH]c2ncccc2c1C[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000019451520 211221588 /nfs/dbraw/zinc/22/15/88/211221588.db2.gz OXXOPLLKTCGFAQ-UHFFFAOYSA-N 1 2 368.506 3.706 40 0 FHABLO CC1CC[NH+]([C@H](c2cccs2)c2nnnn2Cc2ccccc2)CC1 ZINC000019496827 220260204 /nfs/dbraw/zinc/26/02/04/220260204.db2.gz AAFOXJMQRPXLRQ-GOSISDBHSA-N 1 2 353.495 3.604 40 0 FHABLO Cc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCSCC2)cc1 ZINC000057613880 221092029 /nfs/dbraw/zinc/09/20/29/221092029.db2.gz KOSBCSFWBWHETH-GOSISDBHSA-N 1 2 357.527 3.625 40 0 FHABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000219854630 132275191 /nfs/dbraw/zinc/27/51/91/132275191.db2.gz BFQKSLMJSUGWIT-UHFFFAOYSA-N 1 2 352.434 3.621 40 0 FHABLO CCOc1ccccc1CNC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219863008 132275232 /nfs/dbraw/zinc/27/52/32/132275232.db2.gz XAZOUZXUERLHHA-UHFFFAOYSA-N 1 2 352.478 3.927 40 0 FHABLO CCCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057669747 136129757 /nfs/dbraw/zinc/12/97/57/136129757.db2.gz KERCTTKKZWYQRJ-GOSISDBHSA-N 1 2 374.508 3.621 40 0 FHABLO Cc1cccc(N2CC[NH+]([C@H](CC(C)C)c3nnnn3C(C)C)CC2)c1C ZINC000057670205 136130007 /nfs/dbraw/zinc/13/00/07/136130007.db2.gz BZVSOQBYOOAVSQ-HXUWFJFHSA-N 1 2 370.545 3.780 40 0 FHABLO c1cc(C[N@@H+]2CCC[C@@H]2c2nnn3cc(-c4ccncc4)ccc23)ccn1 ZINC000096267887 222106927 /nfs/dbraw/zinc/10/69/27/222106927.db2.gz APCLDXAWWVPWCO-LJQANCHMSA-N 1 2 356.433 3.523 40 0 FHABLO c1cc(C[N@H+]2CCC[C@@H]2c2nnn3cc(-c4ccncc4)ccc23)ccn1 ZINC000096267887 222106928 /nfs/dbraw/zinc/10/69/28/222106928.db2.gz APCLDXAWWVPWCO-LJQANCHMSA-N 1 2 356.433 3.523 40 0 FHABLO CCN(Cc1ccccc1)C(=O)c1nc2c(n1C(C)C)CC[N@@H+](C(C)C)C2 ZINC000096147116 222048976 /nfs/dbraw/zinc/04/89/76/222048976.db2.gz YRHAGINDJINPMM-UHFFFAOYSA-N 1 2 368.525 3.893 40 0 FHABLO CCN(Cc1ccccc1)C(=O)c1nc2c(n1C(C)C)CC[N@H+](C(C)C)C2 ZINC000096147116 222048979 /nfs/dbraw/zinc/04/89/79/222048979.db2.gz YRHAGINDJINPMM-UHFFFAOYSA-N 1 2 368.525 3.893 40 0 FHABLO Cc1[nH+]cc(-c2ncccc2C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1C ZINC000257327940 534722606 /nfs/dbraw/zinc/72/26/06/534722606.db2.gz XDLNVHDWHAGJMZ-INIZCTEOSA-N 1 2 354.498 3.618 40 0 FHABLO COc1ccc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(OC)cc2)cc1 ZINC000079440026 524109685 /nfs/dbraw/zinc/10/96/85/524109685.db2.gz PWPJEBGDBIUTEM-NRFANRHFSA-N 1 2 369.461 3.802 40 0 FHABLO COc1ccc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(OC)cc2)cc1 ZINC000079440026 524109695 /nfs/dbraw/zinc/10/96/95/524109695.db2.gz PWPJEBGDBIUTEM-NRFANRHFSA-N 1 2 369.461 3.802 40 0 FHABLO CC(C)(C)CNc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)C3CC3)C2)cc[nH+]1 ZINC000257341623 527689280 /nfs/dbraw/zinc/68/92/80/527689280.db2.gz ZLDHIZCMSYMEEB-INIZCTEOSA-N 1 2 367.497 3.656 40 0 FHABLO O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514290215 560030474 /nfs/dbraw/zinc/03/04/74/560030474.db2.gz VDHUJVZUQYFSNX-ROUUACIJSA-N 1 2 363.461 3.718 40 0 biogenic,in-vitro FHABLO O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514290215 560030475 /nfs/dbraw/zinc/03/04/75/560030475.db2.gz VDHUJVZUQYFSNX-ROUUACIJSA-N 1 2 363.461 3.718 40 0 biogenic,in-vitro FHABLO CCCCN(C)C(=O)[C@H]1c2c(ncn2C(C)C)CC[N@H+]1Cc1ccccc1 ZINC000096037521 570472650 /nfs/dbraw/zinc/47/26/50/570472650.db2.gz JKKGPLUMAPAOTF-OAQYLSRUSA-N 1 2 368.525 3.822 40 0 FHABLO CCCCN(C)C(=O)[C@H]1c2c(ncn2C(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000096037521 570472652 /nfs/dbraw/zinc/47/26/52/570472652.db2.gz JKKGPLUMAPAOTF-OAQYLSRUSA-N 1 2 368.525 3.822 40 0 FHABLO CCCCN(C)C(=O)[C@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037521 570472654 /nfs/dbraw/zinc/47/26/54/570472654.db2.gz JKKGPLUMAPAOTF-OAQYLSRUSA-N 1 2 368.525 3.822 40 0 FHABLO CCN1CCCc2cc(-c3c[nH+]cn3CCc3c(C)nn(C)c3C)ccc21 ZINC000019719406 570900927 /nfs/dbraw/zinc/90/09/27/570900927.db2.gz FDANVMXXANRSSD-UHFFFAOYSA-N 1 2 363.509 3.916 40 0 FHABLO Cc1ccc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)c(C)c1 ZINC000225219745 571022420 /nfs/dbraw/zinc/02/24/20/571022420.db2.gz ZVVXQNWGXPVTTD-UHFFFAOYSA-N 1 2 355.507 3.524 40 0 FHABLO CCOc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000225452895 571036514 /nfs/dbraw/zinc/03/65/14/571036514.db2.gz QAWJZOOOHVBFOA-UHFFFAOYSA-N 1 2 352.463 3.758 40 0 FHABLO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000030751565 571049134 /nfs/dbraw/zinc/04/91/34/571049134.db2.gz KPFRQMJTQXEXME-GOSISDBHSA-N 1 2 363.461 3.881 40 0 FHABLO c1cc2c(c3cc4c(cc13)OCO4)C[N@H+]1CCc3cc4c(cc3[C@@H]1C2)OCO4 ZINC000031719557 571055445 /nfs/dbraw/zinc/05/54/45/571055445.db2.gz JTWGJPMYQMXGHT-IBGZPJMESA-N 1 2 373.408 3.953 40 0 FHABLO c1cc2c(c3cc4c(cc13)OCO4)C[N@@H+]1CCc3cc4c(cc3[C@@H]1C2)OCO4 ZINC000031719557 571055447 /nfs/dbraw/zinc/05/54/47/571055447.db2.gz JTWGJPMYQMXGHT-IBGZPJMESA-N 1 2 373.408 3.953 40 0 FHABLO CC[N@H+](CCCNC(=S)Nc1ncccc1OC)c1ccc(C)cc1 ZINC000225735353 571060266 /nfs/dbraw/zinc/06/02/66/571060266.db2.gz RCCVQUXPIAICLF-UHFFFAOYSA-N 1 2 358.511 3.602 40 0 FHABLO CC[N@@H+](CCCNC(=S)Nc1ncccc1OC)c1ccc(C)cc1 ZINC000225735353 571060270 /nfs/dbraw/zinc/06/02/70/571060270.db2.gz RCCVQUXPIAICLF-UHFFFAOYSA-N 1 2 358.511 3.602 40 0 FHABLO CC[N@H+](CCCNC(=S)Nc1ccc(OC)nc1)c1ccc(C)cc1 ZINC000225735310 571060422 /nfs/dbraw/zinc/06/04/22/571060422.db2.gz CIWYXZNNVBEBBI-UHFFFAOYSA-N 1 2 358.511 3.602 40 0 FHABLO CC[N@@H+](CCCNC(=S)Nc1ccc(OC)nc1)c1ccc(C)cc1 ZINC000225735310 571060424 /nfs/dbraw/zinc/06/04/24/571060424.db2.gz CIWYXZNNVBEBBI-UHFFFAOYSA-N 1 2 358.511 3.602 40 0 FHABLO Clc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2COCc1cccnc1 ZINC000253491157 571136164 /nfs/dbraw/zinc/13/61/64/571136164.db2.gz LIOQBWZMLRRWIZ-SFHVURJKSA-N 1 2 358.869 3.543 40 0 FHABLO Cc1c2ccccc2oc1C(=O)N1Cc2c[nH+]cn2[C@@H](COCC2CC2)C1 ZINC000253599132 571138926 /nfs/dbraw/zinc/13/89/26/571138926.db2.gz MKJGMWRQBZVEAI-QGZVFWFLSA-N 1 2 365.433 3.561 40 0 FHABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000072350669 571181987 /nfs/dbraw/zinc/18/19/87/571181987.db2.gz HJMDQYOOWPDSTN-KRWDZBQOSA-N 1 2 367.497 3.682 40 0 FHABLO c1csc(Nc2nccc([C@H]3CCCC[N@H+]3Cc3ccncc3)n2)n1 ZINC000072377628 571186576 /nfs/dbraw/zinc/18/65/76/571186576.db2.gz DMNWBERAAYXNFR-MRXNPFEDSA-N 1 2 352.467 3.799 40 0 FHABLO c1csc(Nc2nccc([C@H]3CCCC[N@@H+]3Cc3ccncc3)n2)n1 ZINC000072377628 571186578 /nfs/dbraw/zinc/18/65/78/571186578.db2.gz DMNWBERAAYXNFR-MRXNPFEDSA-N 1 2 352.467 3.799 40 0 FHABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000072378432 571186929 /nfs/dbraw/zinc/18/69/29/571186929.db2.gz DEEKMXHDXMOQGJ-UHFFFAOYSA-N 1 2 374.488 3.778 40 0 FHABLO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)[nH]n2)cc1 ZINC000019704655 571304472 /nfs/dbraw/zinc/30/44/72/571304472.db2.gz SELCXVYYKUGSBK-QGZVFWFLSA-N 1 2 365.481 3.825 40 0 FHABLO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@@H+](Cc4ncc[nH]4)C3)[nH]n2)cc1 ZINC000019704655 571304473 /nfs/dbraw/zinc/30/44/73/571304473.db2.gz SELCXVYYKUGSBK-QGZVFWFLSA-N 1 2 365.481 3.825 40 0 FHABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(C)cc3)[nH]2)cc1OCC ZINC000095534599 571331450 /nfs/dbraw/zinc/33/14/50/571331450.db2.gz SXSBMTJOLFEANP-GOSISDBHSA-N 1 2 352.438 3.626 40 0 FHABLO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccc(C)cc3)n[nH]2)cc1OCC ZINC000095534599 571331451 /nfs/dbraw/zinc/33/14/51/571331451.db2.gz SXSBMTJOLFEANP-GOSISDBHSA-N 1 2 352.438 3.626 40 0 FHABLO CC(C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329067655 210134369 /nfs/dbraw/zinc/13/43/69/210134369.db2.gz YJVJSGCQFZUKHH-UHFFFAOYSA-N 1 2 354.404 3.698 40 0 FHABLO Cc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329047725 210133765 /nfs/dbraw/zinc/13/37/65/210133765.db2.gz UGVZBGYNHITJHC-QGZVFWFLSA-N 1 2 360.889 3.910 40 0 FHABLO CC(C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329039661 210132668 /nfs/dbraw/zinc/13/26/68/210132668.db2.gz RYIMXRPITPDVIX-UHFFFAOYSA-N 1 2 353.253 3.774 40 0 FHABLO Cc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328997845 210129435 /nfs/dbraw/zinc/12/94/35/210129435.db2.gz JPPJRQBXQZSGNG-UHFFFAOYSA-N 1 2 359.477 3.657 40 0 FHABLO CC(C)Nc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)[nH+]1 ZINC000328968485 210127052 /nfs/dbraw/zinc/12/70/52/210127052.db2.gz DADXMRSARFNUAX-UHFFFAOYSA-N 1 2 365.250 3.663 40 0 FHABLO O=C(c1nccc2ccccc21)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257204646 223018490 /nfs/dbraw/zinc/01/84/90/223018490.db2.gz AVSHQKCPLNWQEU-LJQANCHMSA-N 1 2 354.413 3.829 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257217144 223022849 /nfs/dbraw/zinc/02/28/49/223022849.db2.gz CXRUSYSLEFLTRC-INIZCTEOSA-N 1 2 352.442 3.507 40 0 FHABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cc3coc4cc(C)ccc34)C2)[nH+]1 ZINC000257249436 223037717 /nfs/dbraw/zinc/03/77/17/223037717.db2.gz JIICFLGPEBUGCU-INIZCTEOSA-N 1 2 351.450 3.732 40 0 FHABLO Cc1ncsc1C[N@@H+]1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257284603 223049267 /nfs/dbraw/zinc/04/92/67/223049267.db2.gz PDKSODOJTHSTQO-QGZVFWFLSA-N 1 2 373.453 3.743 40 0 FHABLO Cc1ncsc1C[N@H+]1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257284603 223049270 /nfs/dbraw/zinc/04/92/70/223049270.db2.gz PDKSODOJTHSTQO-QGZVFWFLSA-N 1 2 373.453 3.743 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@H+]2Cc2cn(C)cn2)n1 ZINC000257296928 223054719 /nfs/dbraw/zinc/05/47/19/223054719.db2.gz RFAYPLRLWIQNSZ-GOSISDBHSA-N 1 2 366.469 3.518 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@@H+]2Cc2cn(C)cn2)n1 ZINC000257296928 223054721 /nfs/dbraw/zinc/05/47/21/223054721.db2.gz RFAYPLRLWIQNSZ-GOSISDBHSA-N 1 2 366.469 3.518 40 0 FHABLO Cc1c[nH]c(-c2cc([C@@H]3CCCC[N@@H+]3Cc3cscn3)nc(C)n2)n1 ZINC000257300468 223057045 /nfs/dbraw/zinc/05/70/45/223057045.db2.gz RUKNXCKDYVVQOE-KRWDZBQOSA-N 1 2 354.483 3.667 40 0 FHABLO Cc1c[nH]c(-c2cc([C@@H]3CCCC[N@H+]3Cc3cscn3)nc(C)n2)n1 ZINC000257300468 223057046 /nfs/dbraw/zinc/05/70/46/223057046.db2.gz RUKNXCKDYVVQOE-KRWDZBQOSA-N 1 2 354.483 3.667 40 0 FHABLO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000257314961 223063161 /nfs/dbraw/zinc/06/31/61/223063161.db2.gz UZHMLGMZRVNSJO-HNNXBMFYSA-N 1 2 366.494 3.760 40 0 FHABLO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000257314961 223063162 /nfs/dbraw/zinc/06/31/62/223063162.db2.gz UZHMLGMZRVNSJO-HNNXBMFYSA-N 1 2 366.494 3.760 40 0 FHABLO Cc1ccc(Nc2nc([C@@H]3CCC[N@H+]3Cc3ccnn3C)cs2)nc1 ZINC000257314462 223063195 /nfs/dbraw/zinc/06/31/95/223063195.db2.gz UXCCUTZTHICFSD-INIZCTEOSA-N 1 2 354.483 3.661 40 0 FHABLO Cc1ccc(Nc2nc([C@@H]3CCC[N@@H+]3Cc3ccnn3C)cs2)nc1 ZINC000257314462 223063198 /nfs/dbraw/zinc/06/31/98/223063198.db2.gz UXCCUTZTHICFSD-INIZCTEOSA-N 1 2 354.483 3.661 40 0 FHABLO Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3cn(C)c[nH+]3)cs2)nc1 ZINC000257338496 223070552 /nfs/dbraw/zinc/07/05/52/223070552.db2.gz YXRLTBPVQMUSGU-INIZCTEOSA-N 1 2 354.483 3.661 40 0 FHABLO O=C(CCc1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000062093008 212028428 /nfs/dbraw/zinc/02/84/28/212028428.db2.gz PYIHUVYKBNOIAX-QPJJXVBHSA-N 1 2 352.453 3.616 40 0 FHABLO Cc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1N1CCCC1=O ZINC000044855071 211802925 /nfs/dbraw/zinc/80/29/25/211802925.db2.gz RJTGFMOZMYAPGQ-UHFFFAOYSA-N 1 2 374.444 3.619 40 0 FHABLO CCN1c2ccc(-c3c[nH+]cn3CCc3c(C)nn(C)c3C)cc2C[C@@H]1C ZINC000019719453 211251383 /nfs/dbraw/zinc/25/13/83/211251383.db2.gz HINKKLRDFAHFER-HNNXBMFYSA-N 1 2 363.509 3.914 40 0 FHABLO CC(C)c1nc2ccc(NC(=O)C[N@H+](C)Cc3ccccn3)cc2s1 ZINC000019453847 211223871 /nfs/dbraw/zinc/22/38/71/211223871.db2.gz QUDXYVXKPCBMLW-UHFFFAOYSA-N 1 2 354.479 3.885 40 0 FHABLO CC(C)c1nc2ccc(NC(=O)C[N@@H+](C)Cc3ccccn3)cc2s1 ZINC000019453847 211223875 /nfs/dbraw/zinc/22/38/75/211223875.db2.gz QUDXYVXKPCBMLW-UHFFFAOYSA-N 1 2 354.479 3.885 40 0 FHABLO Cc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1C ZINC000019214010 211206988 /nfs/dbraw/zinc/20/69/88/211206988.db2.gz QPNNPQDJJLPFTO-NRFANRHFSA-N 1 2 350.510 3.809 40 0 FHABLO Cc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cc1C ZINC000019214010 211206989 /nfs/dbraw/zinc/20/69/89/211206989.db2.gz QPNNPQDJJLPFTO-NRFANRHFSA-N 1 2 350.510 3.809 40 0 FHABLO Cc1sc2c(C3CCN(C(=O)c4cccnc4)CC3)[nH+]c(C)n2c1C ZINC000012087561 210914582 /nfs/dbraw/zinc/91/45/82/210914582.db2.gz WPUFMCNEXCVXNB-UHFFFAOYSA-N 1 2 354.479 3.736 40 0 FHABLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000067801128 221286750 /nfs/dbraw/zinc/28/67/50/221286750.db2.gz DTEUBCRJSWJARX-AWEZNQCLSA-N 1 2 355.276 3.548 40 0 FHABLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000067801128 221286752 /nfs/dbraw/zinc/28/67/52/221286752.db2.gz DTEUBCRJSWJARX-AWEZNQCLSA-N 1 2 355.276 3.548 40 0 FHABLO Cc1cc(N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)nc[nH+]1 ZINC000257241451 132295523 /nfs/dbraw/zinc/29/55/23/132295523.db2.gz HYBTZMPOWHPISE-INIZCTEOSA-N 1 2 352.413 3.887 40 0 FHABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]cn1)C2 ZINC000329025654 132372784 /nfs/dbraw/zinc/37/27/84/132372784.db2.gz PHIPSOUBXJSABR-HNNXBMFYSA-N 1 2 352.482 3.837 40 0 FHABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc[nH+]1)C2 ZINC000329025654 132372785 /nfs/dbraw/zinc/37/27/85/132372785.db2.gz PHIPSOUBXJSABR-HNNXBMFYSA-N 1 2 352.482 3.837 40 0 FHABLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000039667682 263399347 /nfs/dbraw/zinc/39/93/47/263399347.db2.gz RNELHSAIKJQLDK-ZGBFETHSSA-N 1 2 364.489 3.620 40 0 FHABLO Cc1ccc2c(c1)OC1(CC[NH+](Cc3cc[nH]n3)CC1)[C@H]1CCCO[C@H]21 ZINC000257269034 534428433 /nfs/dbraw/zinc/42/84/33/534428433.db2.gz MOHTZPLUHOPYHO-AZUAARDMSA-N 1 2 353.466 3.613 40 0 FHABLO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020104981 523060803 /nfs/dbraw/zinc/06/08/03/523060803.db2.gz VYTAJGUNXMOHEE-GOSISDBHSA-N 1 2 369.852 4.000 40 0 FHABLO Cc1[nH+]cc(-c2ccc(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)cn2)n1C ZINC000257338298 534721496 /nfs/dbraw/zinc/72/14/96/534721496.db2.gz YWUAUTGIWIHEOC-QGZVFWFLSA-N 1 2 354.498 3.618 40 0 FHABLO Cc1cc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc(C)c1Cl ZINC000020044253 525363866 /nfs/dbraw/zinc/36/38/66/525363866.db2.gz HQDYBGARHLZPEF-UHFFFAOYSA-N 1 2 369.852 3.838 40 0 FHABLO CCOc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000224951599 535401192 /nfs/dbraw/zinc/40/11/92/535401192.db2.gz YBNAIQGIESQKQR-UHFFFAOYSA-N 1 2 360.479 3.876 40 0 FHABLO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)c(F)c3)n2)cn1 ZINC000035426105 560080643 /nfs/dbraw/zinc/08/06/43/560080643.db2.gz VWFVPXNBUVYTFS-INIZCTEOSA-N 1 2 371.391 3.789 40 0 biogenic,in-vitro FHABLO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)c(F)c3)n2)cn1 ZINC000035426105 560080644 /nfs/dbraw/zinc/08/06/44/560080644.db2.gz VWFVPXNBUVYTFS-INIZCTEOSA-N 1 2 371.391 3.789 40 0 biogenic,in-vitro FHABLO Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000216343925 568118916 /nfs/dbraw/zinc/11/89/16/568118916.db2.gz URQDYQVTQCFGLC-INIZCTEOSA-N 1 2 351.475 3.978 40 0 FHABLO CCN(CC)c1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072212845 570527964 /nfs/dbraw/zinc/52/79/64/570527964.db2.gz WPGMKZLITHBIDD-IBGZPJMESA-N 1 2 373.522 3.762 40 0 FHABLO CC(C)c1ccccc1OCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000111121198 570541316 /nfs/dbraw/zinc/54/13/16/570541316.db2.gz RLRBTHXZZIBSHW-UHFFFAOYSA-N 1 2 363.461 3.864 40 0 FHABLO COc1cccc(C2(NC(=O)Cn3c(C)[nH+]c4ccccc43)CCCC2)c1 ZINC000012115985 570719877 /nfs/dbraw/zinc/71/98/77/570719877.db2.gz AJHPIEKSGFFCFI-UHFFFAOYSA-N 1 2 363.461 3.939 40 0 FHABLO COc1ccc(C2(NC(=S)Nc3cc[nH+]cc3)CCCC2)cc1OC ZINC000225874420 571077018 /nfs/dbraw/zinc/07/70/18/571077018.db2.gz WCTLEXGBCSNHHG-UHFFFAOYSA-N 1 2 357.479 3.855 40 0 FHABLO CCOc1ccc(Nc2cc(N)nc(-c3ccc(OC)c(OC)c3)[nH+]2)cc1 ZINC000049468193 571109509 /nfs/dbraw/zinc/10/95/09/571109509.db2.gz HBBQXPNJUWOPSW-UHFFFAOYSA-N 1 2 366.421 3.885 40 0 FHABLO CCOc1ccc(Nc2cc(N)[nH+]c(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000049468193 571109510 /nfs/dbraw/zinc/10/95/10/571109510.db2.gz HBBQXPNJUWOPSW-UHFFFAOYSA-N 1 2 366.421 3.885 40 0 FHABLO Brc1ccc(Oc2ncccn2)c(C[NH+]2CCSCC2)c1 ZINC000575423364 571150273 /nfs/dbraw/zinc/15/02/73/571150273.db2.gz MLVNERUGKXZMCL-UHFFFAOYSA-N 1 2 366.284 3.580 40 0 FHABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000072378515 571186931 /nfs/dbraw/zinc/18/69/31/571186931.db2.gz QNYJGBGIQVAGTR-KRWDZBQOSA-N 1 2 353.470 3.639 40 0 FHABLO COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000072384336 571189012 /nfs/dbraw/zinc/18/90/12/571189012.db2.gz NKZQUFWKNQMFNZ-KRWDZBQOSA-N 1 2 365.437 3.646 40 0 FHABLO O=C(c1cccs1)N1Cc2cccn2C[C@@H](CCNc2cccc[nH+]2)C1 ZINC000585095260 571220124 /nfs/dbraw/zinc/22/01/24/571220124.db2.gz KSUMMKSDKJPYQM-MRXNPFEDSA-N 1 2 366.490 3.719 40 0 FHABLO Cc1ccoc1C(=O)N1Cc2cccn2C[C@@H](CCNc2cccc[nH+]2)C1 ZINC000585095544 571220229 /nfs/dbraw/zinc/22/02/29/571220229.db2.gz VXLCIYOUVYTVFT-QGZVFWFLSA-N 1 2 364.449 3.559 40 0 FHABLO C[C@@H]1CCC[N@@H+]([C@H](c2cccs2)c2nnnn2CCc2ccccc2)C1 ZINC000033335911 571305524 /nfs/dbraw/zinc/30/55/24/571305524.db2.gz XTBUYGUTNMGODQ-VQIMIIECSA-N 1 2 367.522 3.799 40 0 FHABLO C[C@@H]1CCC[N@H+]([C@H](c2cccs2)c2nnnn2CCc2ccccc2)C1 ZINC000033335911 571305526 /nfs/dbraw/zinc/30/55/26/571305526.db2.gz XTBUYGUTNMGODQ-VQIMIIECSA-N 1 2 367.522 3.799 40 0 FHABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cccc(Cl)c3)[nH]2)cc1OC ZINC000095534230 571331437 /nfs/dbraw/zinc/33/14/37/571331437.db2.gz PBXLIBICRJVABI-INIZCTEOSA-N 1 2 358.829 3.581 40 0 FHABLO COc1cccc([C@@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)c1 ZINC000095533610 571331497 /nfs/dbraw/zinc/33/14/97/571331497.db2.gz VOVXLRXWHDFJSN-LJQANCHMSA-N 1 2 366.465 3.738 40 0 FHABLO Cc1cccc(-c2cc3nc4c(c(NCCCn5cc[nH+]c5)n3n2)CCC4)c1 ZINC000004902494 210178640 /nfs/dbraw/zinc/17/86/40/210178640.db2.gz CSQNMQFFWZGIGL-UHFFFAOYSA-N 1 2 372.476 3.892 40 0 FHABLO CSc1cccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1 ZINC000329023528 210130897 /nfs/dbraw/zinc/13/08/97/210130897.db2.gz OURFSDSNZPPGEY-KRWDZBQOSA-N 1 2 358.511 3.670 40 0 FHABLO CC[C@@H](C)Nc1nc(NC(C)C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329010195 210130285 /nfs/dbraw/zinc/13/02/85/210130285.db2.gz LZYHJWSRCXUPBY-GFCCVEGCSA-N 1 2 368.403 3.917 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000306144100 210058656 /nfs/dbraw/zinc/05/86/56/210058656.db2.gz YWFDSALJONPVCV-IEBWSBKVSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000306144100 210058660 /nfs/dbraw/zinc/05/86/60/210058660.db2.gz YWFDSALJONPVCV-IEBWSBKVSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000306144323 210058223 /nfs/dbraw/zinc/05/82/23/210058223.db2.gz ZCEPWCZINWGQTG-VQIMIIECSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21 ZINC000306144323 210058227 /nfs/dbraw/zinc/05/82/27/210058227.db2.gz ZCEPWCZINWGQTG-VQIMIIECSA-N 1 2 371.483 3.763 40 0 FHABLO c1csc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccoc5)CCO4)nnn3c2)c1 ZINC000306141372 210056849 /nfs/dbraw/zinc/05/68/49/210056849.db2.gz VTIGKTXBKOZGKB-KRWDZBQOSA-N 1 2 366.446 3.624 40 0 FHABLO c1csc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccoc5)CCO4)nnn3c2)c1 ZINC000306141372 210056854 /nfs/dbraw/zinc/05/68/54/210056854.db2.gz VTIGKTXBKOZGKB-KRWDZBQOSA-N 1 2 366.446 3.624 40 0 FHABLO Cn1c[nH+]c(CN2CCC[C@@H]2c2cncc(Oc3ccc(Cl)cc3)n2)c1 ZINC000257206422 223019019 /nfs/dbraw/zinc/01/90/19/223019019.db2.gz BDICIADWNQGENH-GOSISDBHSA-N 1 2 369.856 3.993 40 0 FHABLO Cc1csc(Nc2nccnc2C2CC[NH+](Cc3cscn3)CC2)n1 ZINC000257343967 223073448 /nfs/dbraw/zinc/07/34/48/223073448.db2.gz ZVDMBWDQTXPQPE-UHFFFAOYSA-N 1 2 372.523 3.821 40 0 FHABLO CC(C)c1noc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccc(-c3ccccn3)cc2)n1 ZINC000015674765 220159798 /nfs/dbraw/zinc/15/97/98/220159798.db2.gz SGSIYZPDNYLIJM-MJGOQNOKSA-N 1 2 364.449 3.563 40 0 biogenic,in-vitro FHABLO CC(C)c1noc([C@@H]2C[C@@H](O)C[N@H+]2Cc2ccc(-c3ccccn3)cc2)n1 ZINC000015674765 220159799 /nfs/dbraw/zinc/15/97/99/220159799.db2.gz SGSIYZPDNYLIJM-MJGOQNOKSA-N 1 2 364.449 3.563 40 0 biogenic,in-vitro FHABLO CCn1c(C)[nH+]c2cc(NC(=O)Cn3ccnc3-c3ccccc3)ccc21 ZINC000019656468 211241893 /nfs/dbraw/zinc/24/18/93/211241893.db2.gz AUMQBBDNPXPTGC-UHFFFAOYSA-N 1 2 359.433 3.867 40 0 FHABLO COc1ccccc1C[N@@H+]1CCO[C@H](c2cc3cc(F)ccc3cn2)C1 ZINC000019570524 211235210 /nfs/dbraw/zinc/23/52/10/211235210.db2.gz BWUPXDBCPXGFIW-NRFANRHFSA-N 1 2 352.409 3.956 40 0 FHABLO COc1ccccc1C[N@H+]1CCO[C@H](c2cc3cc(F)ccc3cn2)C1 ZINC000019570524 211235218 /nfs/dbraw/zinc/23/52/18/211235218.db2.gz BWUPXDBCPXGFIW-NRFANRHFSA-N 1 2 352.409 3.956 40 0 FHABLO CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000019573328 211235116 /nfs/dbraw/zinc/23/51/16/211235116.db2.gz LETYHRIUJJBBSP-GFCCVEGCSA-N 1 2 370.927 3.580 40 0 FHABLO CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000019573328 211235123 /nfs/dbraw/zinc/23/51/23/211235123.db2.gz LETYHRIUJJBBSP-GFCCVEGCSA-N 1 2 370.927 3.580 40 0 FHABLO Fc1ccccc1C[N@@H+](Cc1[nH]nnc1-c1ccccc1)C[C@H]1CCCO1 ZINC000019373946 211218205 /nfs/dbraw/zinc/21/82/05/211218205.db2.gz MWYRZDNDEIJORY-GOSISDBHSA-N 1 2 366.440 3.792 40 0 FHABLO Fc1ccccc1C[N@H+](Cc1[nH]nnc1-c1ccccc1)C[C@H]1CCCO1 ZINC000019373946 211218211 /nfs/dbraw/zinc/21/82/11/211218211.db2.gz MWYRZDNDEIJORY-GOSISDBHSA-N 1 2 366.440 3.792 40 0 FHABLO CCCCc1ccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000016704516 211166016 /nfs/dbraw/zinc/16/60/16/211166016.db2.gz FIUCRHDYXKELOQ-UHFFFAOYSA-N 1 2 368.550 3.939 40 0 FHABLO CNc1cc([C@@H]2CCCN2C(=O)C2(c3ccc(OC)cc3)CC2)cc[nH+]1 ZINC000257302386 533053138 /nfs/dbraw/zinc/05/31/38/533053138.db2.gz SCSNYQNGASLYQF-SFHVURJKSA-N 1 2 351.450 3.527 40 0 FHABLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NC(=O)c1ccccc1 ZINC000001713435 210368480 /nfs/dbraw/zinc/36/84/80/210368480.db2.gz UEJHMRAVWOEWSF-UHFFFAOYSA-N 1 2 358.441 3.645 40 0 FHABLO Cc1ccc(C[N@H+]2CCc3c(nnn3C)[C@H]2COCc2ccccc2)s1 ZINC000096060527 222007601 /nfs/dbraw/zinc/00/76/01/222007601.db2.gz XYQZHBIYDLQUBP-LJQANCHMSA-N 1 2 368.506 3.501 40 0 FHABLO Cc1ccc(C[N@@H+]2CCc3c(nnn3C)[C@H]2COCc2ccccc2)s1 ZINC000096060527 222007604 /nfs/dbraw/zinc/00/76/04/222007604.db2.gz XYQZHBIYDLQUBP-LJQANCHMSA-N 1 2 368.506 3.501 40 0 FHABLO Cc1cccc(NC(=O)N2CCC3(C[C@H](Nc4cccc[nH+]4)CO3)CC2)c1 ZINC000096221326 222085977 /nfs/dbraw/zinc/08/59/77/222085977.db2.gz JQOVRGVDCZVTQF-SFHVURJKSA-N 1 2 366.465 3.658 40 0 FHABLO O=C(Nc1nccs1)c1cccc([C@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257281931 534475341 /nfs/dbraw/zinc/47/53/41/534475341.db2.gz ORNSLNPDIKPFLS-OAHLLOKOSA-N 1 2 371.491 3.584 40 0 FHABLO O=C(Nc1nccs1)c1cccc([C@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257281931 534475348 /nfs/dbraw/zinc/47/53/48/534475348.db2.gz ORNSLNPDIKPFLS-OAHLLOKOSA-N 1 2 371.491 3.584 40 0 FHABLO O=C(NCCCc1ccc(Cl)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000216364653 526272551 /nfs/dbraw/zinc/27/25/51/526272551.db2.gz BQZIYKUFSXEOLU-UHFFFAOYSA-N 1 2 372.896 3.535 40 0 FHABLO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]cn1)C2 ZINC000329059503 535325206 /nfs/dbraw/zinc/32/52/06/535325206.db2.gz WGYDEEXUSMTWMK-UHFFFAOYSA-N 1 2 352.482 3.621 40 0 FHABLO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc[nH+]1)C2 ZINC000329059503 535325212 /nfs/dbraw/zinc/32/52/12/535325212.db2.gz WGYDEEXUSMTWMK-UHFFFAOYSA-N 1 2 352.482 3.621 40 0 FHABLO CCNc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213112 570528579 /nfs/dbraw/zinc/52/85/79/570528579.db2.gz BSRGICARPURHMR-SFHVURJKSA-N 1 2 359.495 3.738 40 0 FHABLO CC(C)NC(=O)c1cc(N)ccc1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004155279 570579155 /nfs/dbraw/zinc/57/91/55/570579155.db2.gz MVLJPFVTNBBONM-UHFFFAOYSA-N 1 2 351.494 3.866 40 0 FHABLO Clc1ccc([C@@H](c2nnnn2CCc2ccccc2)[NH+]2CCCC2)cc1 ZINC000004860136 570671912 /nfs/dbraw/zinc/67/19/12/570671912.db2.gz SSACJNUGRMRZCV-IBGZPJMESA-N 1 2 367.884 3.754 40 0 FHABLO CC(C)N(C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1)C(C)C ZINC000012114985 570719182 /nfs/dbraw/zinc/71/91/82/570719182.db2.gz APGPUDDBJQAYLW-INIZCTEOSA-N 1 2 350.413 3.616 40 0 FHABLO O=C(Cn1cc[nH+]c1-c1ccccc1)N[C@H](c1ccccc1)c1cccnc1 ZINC000012116826 570719682 /nfs/dbraw/zinc/71/96/82/570719682.db2.gz BTJMFYBXRXGLOP-JOCHJYFZSA-N 1 2 368.440 3.851 40 0 FHABLO CC(C)c1ccc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000012220485 570728540 /nfs/dbraw/zinc/72/85/40/570728540.db2.gz JHIDMZRREFIBIG-UHFFFAOYSA-N 1 2 362.477 3.994 40 0 FHABLO CC(C)c1ccc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000012220485 570728544 /nfs/dbraw/zinc/72/85/44/570728544.db2.gz JHIDMZRREFIBIG-UHFFFAOYSA-N 1 2 362.477 3.994 40 0 FHABLO Cc1cc(-c2cnc(NCCCn3cc[nH+]c3)nc2-c2ccc(C)o2)on1 ZINC000012221570 570728948 /nfs/dbraw/zinc/72/89/48/570728948.db2.gz CFMXSQJBIZSRHV-UHFFFAOYSA-N 1 2 364.409 3.707 40 0 FHABLO Cc1ccc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)s1 ZINC000012666908 570756110 /nfs/dbraw/zinc/75/61/10/570756110.db2.gz GSIXLIMOGBYCSB-UHFFFAOYSA-N 1 2 356.495 3.661 40 0 FHABLO Cc1ccc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)s1 ZINC000012666908 570756112 /nfs/dbraw/zinc/75/61/12/570756112.db2.gz GSIXLIMOGBYCSB-UHFFFAOYSA-N 1 2 356.495 3.661 40 0 FHABLO CCCc1ccc(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000225196311 571021442 /nfs/dbraw/zinc/02/14/42/571021442.db2.gz LTUMFMWAKWVSJU-UHFFFAOYSA-N 1 2 363.461 3.693 40 0 FHABLO C(=C/[NH+]1CCN(c2ccccc2)CC1)\C=C/[NH+]1CCN(c2ccccc2)CC1 ZINC000031667147 571055118 /nfs/dbraw/zinc/05/51/18/571055118.db2.gz MHXRSOOLNSFARD-MFUUIURDSA-N 1 2 374.532 3.658 40 0 FHABLO C(=C/[NH+]1CCN(c2ccccc2)CC1)\C=C/N1CCN(c2ccccc2)CC1 ZINC000031667147 571055129 /nfs/dbraw/zinc/05/51/29/571055129.db2.gz MHXRSOOLNSFARD-MFUUIURDSA-N 1 2 374.532 3.658 40 0 FHABLO CCOc1ccc(-c2nc(Nc3ccccc3C(=O)OC)cc(N)[nH+]2)cc1 ZINC000049468090 571109497 /nfs/dbraw/zinc/10/94/97/571109497.db2.gz NPHCKIBMIICMIP-UHFFFAOYSA-N 1 2 364.405 3.655 40 0 FHABLO Cc1ccc(S(=O)(=O)[C@@H](C[NH+]2CCCCC2)C(=O)c2ccccc2)cc1 ZINC000055107245 571116498 /nfs/dbraw/zinc/11/64/98/571116498.db2.gz RBFYUNLUTIBTEA-FQEVSTJZSA-N 1 2 371.502 3.506 40 0 FHABLO COc1nc2cc(C)ccc2cc1C[N@H+](C)Cc1[nH]nc2c1CCCC2 ZINC000057811449 571122889 /nfs/dbraw/zinc/12/28/89/571122889.db2.gz YIGNJVDBXFZTBQ-UHFFFAOYSA-N 1 2 350.466 3.786 40 0 FHABLO COc1nc2cc(C)ccc2cc1C[N@@H+](C)Cc1[nH]nc2c1CCCC2 ZINC000057811449 571122890 /nfs/dbraw/zinc/12/28/90/571122890.db2.gz YIGNJVDBXFZTBQ-UHFFFAOYSA-N 1 2 350.466 3.786 40 0 FHABLO Cc1cccc(COCC[C@@H]2CCOC23C[NH+](Cc2ccccc2F)C3)n1 ZINC000247889659 571126218 /nfs/dbraw/zinc/12/62/18/571126218.db2.gz UUECKFCQWYAFLI-LJQANCHMSA-N 1 2 370.468 3.727 40 0 FHABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](OCc1cccc(C)n1)CCO2 ZINC000253599859 571138865 /nfs/dbraw/zinc/13/88/65/571138865.db2.gz VNHASUKWPRDTJY-SFHVURJKSA-N 1 2 358.507 3.710 40 0 FHABLO Cc1nc(=O)c2cc(Cl)ccc2n1C1=CC[N@H+](Cc2cccnc2)CC1 ZINC000072348312 571179981 /nfs/dbraw/zinc/17/99/81/571179981.db2.gz ZWKWVJJXLNAXOB-UHFFFAOYSA-N 1 2 366.852 3.500 40 0 FHABLO Cc1nc(=O)c2cc(Cl)ccc2n1C1=CC[N@@H+](Cc2cccnc2)CC1 ZINC000072348312 571179982 /nfs/dbraw/zinc/17/99/82/571179982.db2.gz ZWKWVJJXLNAXOB-UHFFFAOYSA-N 1 2 366.852 3.500 40 0 FHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000072378883 571187174 /nfs/dbraw/zinc/18/71/74/571187174.db2.gz DJNXBVNEJQOOGZ-LJQANCHMSA-N 1 2 360.461 3.736 40 0 FHABLO Cn1cc[nH+]c1CN1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000072384203 571188971 /nfs/dbraw/zinc/18/89/71/571188971.db2.gz QCBADIFVYNDCKM-KRWDZBQOSA-N 1 2 369.856 3.993 40 0 FHABLO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384042 571188978 /nfs/dbraw/zinc/18/89/78/571188978.db2.gz YDYPOBABOKEVJU-IBGZPJMESA-N 1 2 367.428 3.787 40 0 FHABLO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 ZINC000072384042 571188980 /nfs/dbraw/zinc/18/89/80/571188980.db2.gz YDYPOBABOKEVJU-IBGZPJMESA-N 1 2 367.428 3.787 40 0 FHABLO C[C@H]1[C@H](c2ccccc2O)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000073274844 571200513 /nfs/dbraw/zinc/20/05/13/571200513.db2.gz JKQJZONEAFJYTO-DYXDTQHNSA-N 1 2 353.418 3.703 40 0 FHABLO COc1ccccc1Cc1cnc([C@@H]2CCCN2c2cc(C)[nH+]cn2)o1 ZINC000585178798 571238098 /nfs/dbraw/zinc/23/80/98/571238098.db2.gz HUJMRFGCOSEKRI-KRWDZBQOSA-N 1 2 350.422 3.714 40 0 FHABLO Cc1nc2cc([C@H]3CC[N@@H+](C[C@H](C)c4ccccc4)C3)[nH]n2c(=O)c1C ZINC000248167088 571291286 /nfs/dbraw/zinc/29/12/86/571291286.db2.gz OYBQMBDOBDDHAM-KSSFIOAISA-N 1 2 350.466 3.645 40 0 FHABLO Cc1nc2cc([C@H]3CC[N@H+](C[C@H](C)c4ccccc4)C3)[nH]n2c(=O)c1C ZINC000248167088 571291288 /nfs/dbraw/zinc/29/12/88/571291288.db2.gz OYBQMBDOBDDHAM-KSSFIOAISA-N 1 2 350.466 3.645 40 0 FHABLO CSc1ccccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000033471475 571305548 /nfs/dbraw/zinc/30/55/48/571305548.db2.gz FWRKMAIWSLGGST-JXMROGBWSA-N 1 2 352.503 3.880 40 0 FHABLO CC(C)(C)c1ccc(OCc2n[nH]c([C@@H]([NH3+])c3ccc(F)cc3)n2)cc1 ZINC000095533345 571331244 /nfs/dbraw/zinc/33/12/44/571331244.db2.gz ZZAIUAPVSWQKEU-SFHVURJKSA-N 1 2 354.429 3.868 40 0 FHABLO Brc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000217499461 571348144 /nfs/dbraw/zinc/34/81/44/571348144.db2.gz YLRRTWMAQYUBLA-SFHVURJKSA-N 1 2 362.267 3.729 40 0 FHABLO Brc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000217499461 571348145 /nfs/dbraw/zinc/34/81/45/571348145.db2.gz YLRRTWMAQYUBLA-SFHVURJKSA-N 1 2 362.267 3.729 40 0 FHABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2ccccc2F)[nH+]1 ZINC000257247195 529787758 /nfs/dbraw/zinc/78/77/58/529787758.db2.gz IXWQGGUFOBOEOA-KRWDZBQOSA-N 1 2 355.457 3.914 40 0 FHABLO CC[C@H](C)Nc1nc(NC(C)C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329010197 210130826 /nfs/dbraw/zinc/13/08/26/210130826.db2.gz LZYHJWSRCXUPBY-LBPRGKRZSA-N 1 2 368.403 3.917 40 0 FHABLO Clc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1 ZINC000329016404 210130452 /nfs/dbraw/zinc/13/04/52/210130452.db2.gz NFRXTKYXNKERCL-UHFFFAOYSA-N 1 2 350.853 3.827 40 0 FHABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c(OC)c1 ZINC000329001568 210129730 /nfs/dbraw/zinc/12/97/30/210129730.db2.gz KFBQNRMCSRQHGN-UHFFFAOYSA-N 1 2 368.481 3.703 40 0 FHABLO CCOc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1 ZINC000328968873 210127273 /nfs/dbraw/zinc/12/72/73/210127273.db2.gz DAVNTYBRAQDBNX-GOSISDBHSA-N 1 2 356.470 3.925 40 0 FHABLO c1csc(-c2ccc3c([C@H]4C[N@H+](Cc5ccoc5)CCO4)nnn3c2)c1 ZINC000306141373 210058597 /nfs/dbraw/zinc/05/85/97/210058597.db2.gz VTIGKTXBKOZGKB-QGZVFWFLSA-N 1 2 366.446 3.624 40 0 FHABLO c1csc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccoc5)CCO4)nnn3c2)c1 ZINC000306141373 210058600 /nfs/dbraw/zinc/05/86/00/210058600.db2.gz VTIGKTXBKOZGKB-QGZVFWFLSA-N 1 2 366.446 3.624 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306138794 210055369 /nfs/dbraw/zinc/05/53/69/210055369.db2.gz SHSLKPLPLQUPTJ-VQIMIIECSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306138794 210055373 /nfs/dbraw/zinc/05/53/73/210055373.db2.gz SHSLKPLPLQUPTJ-VQIMIIECSA-N 1 2 371.483 3.763 40 0 FHABLO Cc1ccc(Nc2nc([C@@H]3CCC[N@H+]3Cc3cnn(C)c3)cs2)nc1 ZINC000257239109 223033703 /nfs/dbraw/zinc/03/37/03/223033703.db2.gz HNZWIAXVGHXMMC-INIZCTEOSA-N 1 2 354.483 3.661 40 0 FHABLO Cc1ccc(Nc2nc([C@@H]3CCC[N@@H+]3Cc3cnn(C)c3)cs2)nc1 ZINC000257239109 223033705 /nfs/dbraw/zinc/03/37/05/223033705.db2.gz HNZWIAXVGHXMMC-INIZCTEOSA-N 1 2 354.483 3.661 40 0 FHABLO Cn1c(=O)cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)c2ccccc21 ZINC000019666186 211245863 /nfs/dbraw/zinc/24/58/63/211245863.db2.gz SHFVJPYVHJBPPT-UHFFFAOYSA-N 1 2 374.444 3.965 40 0 FHABLO Cc1ccc(-c2cc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)no2)cc1 ZINC000019665387 211245375 /nfs/dbraw/zinc/24/53/75/211245375.db2.gz RJZMTUGTTZXYMR-GOSISDBHSA-N 1 2 352.438 3.691 40 0 FHABLO CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000019573331 211234882 /nfs/dbraw/zinc/23/48/82/211234882.db2.gz LETYHRIUJJBBSP-LBPRGKRZSA-N 1 2 370.927 3.580 40 0 FHABLO CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000019573331 211234888 /nfs/dbraw/zinc/23/48/88/211234888.db2.gz LETYHRIUJJBBSP-LBPRGKRZSA-N 1 2 370.927 3.580 40 0 FHABLO CCc1sc(NC(=O)[C@H](C)n2cc[nH+]c2)nc1-c1ccc(OC)cc1 ZINC000019521608 211228763 /nfs/dbraw/zinc/22/87/63/211228763.db2.gz OVNFFCABDSQNGN-LBPRGKRZSA-N 1 2 356.451 3.777 40 0 FHABLO CCc1[nH+]c2cc(NC(=O)c3cc(C(F)(F)F)nn3C)ccc2n1CC ZINC000019523219 211228487 /nfs/dbraw/zinc/22/84/87/211228487.db2.gz JVPZPYGWLARCBA-UHFFFAOYSA-N 1 2 365.359 3.623 40 0 FHABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1ccc(F)cc1 ZINC000019291206 211212914 /nfs/dbraw/zinc/21/29/14/211212914.db2.gz WXBGKAAWALLTJY-SFHVURJKSA-N 1 2 366.371 3.699 40 0 FHABLO Cc1csc2c([C@H]3CCN(C(=O)c4cc(C5CC5)on4)C3)[nH+]c(C)n12 ZINC000019240514 211212673 /nfs/dbraw/zinc/21/26/73/211212673.db2.gz BVSRNEARQJHAAX-ZDUSSCGKSA-N 1 2 356.451 3.508 40 0 FHABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3ccccn3)cc2n1 ZINC000019116935 211201680 /nfs/dbraw/zinc/20/16/80/211201680.db2.gz KCAOOIOTMKKPIJ-OAHLLOKOSA-N 1 2 361.371 3.789 40 0 FHABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3ccccn3)cc2n1 ZINC000019116935 211201683 /nfs/dbraw/zinc/20/16/83/211201683.db2.gz KCAOOIOTMKKPIJ-OAHLLOKOSA-N 1 2 361.371 3.789 40 0 FHABLO Cc1cnc2c(C(=O)Nc3ccc(-n4cc[nH+]c4C(C)C)cc3)cnn2c1 ZINC000019239339 211208003 /nfs/dbraw/zinc/20/80/03/211208003.db2.gz MPLHNFAHPXGSKW-UHFFFAOYSA-N 1 2 360.421 3.599 40 0 FHABLO CCC(C)(C)n1nnnc1[C@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000020120941 220313919 /nfs/dbraw/zinc/31/39/19/220313919.db2.gz HHEQFZZYJGMPDN-FQEVSTJZSA-N 1 2 361.493 3.966 40 0 FHABLO CCC(C)(C)n1nnnc1[C@H](c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000020120941 220313922 /nfs/dbraw/zinc/31/39/22/220313922.db2.gz HHEQFZZYJGMPDN-FQEVSTJZSA-N 1 2 361.493 3.966 40 0 FHABLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000067801164 221287689 /nfs/dbraw/zinc/28/76/89/221287689.db2.gz UYZZAGNHGKVPQM-CQSZACIVSA-N 1 2 355.276 3.548 40 0 FHABLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000067801164 221287691 /nfs/dbraw/zinc/28/76/91/221287691.db2.gz UYZZAGNHGKVPQM-CQSZACIVSA-N 1 2 355.276 3.548 40 0 FHABLO Fc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)cc1 ZINC000096049079 132217246 /nfs/dbraw/zinc/21/72/46/132217246.db2.gz QSMZYSCADJEFLM-NRFANRHFSA-N 1 2 358.432 3.836 40 0 FHABLO Fc1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)cc1 ZINC000096049079 132217248 /nfs/dbraw/zinc/21/72/48/132217248.db2.gz QSMZYSCADJEFLM-NRFANRHFSA-N 1 2 358.432 3.836 40 0 FHABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1F ZINC000109423181 132245416 /nfs/dbraw/zinc/24/54/16/132245416.db2.gz JCRMVIIDGFPDGQ-UHFFFAOYSA-N 1 2 364.442 3.625 40 0 FHABLO Cc1cc(C)c2cc(C[NH2+]c3ccc(N4CCOCC4)cc3)c(=O)[nH]c2c1 ZINC000012088266 132852428 /nfs/dbraw/zinc/85/24/28/132852428.db2.gz ZGZCITNDFGHWSD-UHFFFAOYSA-N 1 2 363.461 3.594 40 0 FHABLO Cc1cccc(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3C(C)C)CC2)c1C ZINC000057670202 136130098 /nfs/dbraw/zinc/13/00/98/136130098.db2.gz BZVSOQBYOOAVSQ-FQEVSTJZSA-N 1 2 370.545 3.780 40 0 FHABLO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000019455498 263374905 /nfs/dbraw/zinc/37/49/05/263374905.db2.gz INXUSRUAMUXTRN-WGHVLJOSSA-N 1 2 367.493 3.931 40 0 FHABLO Cc1cn2c(cccc2[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)[nH+]1 ZINC000257211448 534504161 /nfs/dbraw/zinc/50/41/61/534504161.db2.gz BYWUUTFUCIZRKR-QGZVFWFLSA-N 1 2 351.425 3.731 40 0 FHABLO CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020046160 522883888 /nfs/dbraw/zinc/88/38/88/522883888.db2.gz AFSVMPJPNZPVIU-FQEVSTJZSA-N 1 2 363.461 3.963 40 0 FHABLO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020452581 525931063 /nfs/dbraw/zinc/93/10/63/525931063.db2.gz MRZAFIJVVPKGFW-AWEZNQCLSA-N 1 2 355.825 3.609 40 0 FHABLO Cc1ccc([C@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1C ZINC000219247255 568279239 /nfs/dbraw/zinc/27/92/39/568279239.db2.gz FXAHJCRJCVSHRX-SFHVURJKSA-N 1 2 352.478 3.627 40 0 FHABLO CCc1ccc(CC)c(CNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000223290103 568635526 /nfs/dbraw/zinc/63/55/26/568635526.db2.gz MTVXCKWIQOAPCP-UHFFFAOYSA-N 1 2 366.505 3.574 40 0 FHABLO CCCNc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213204 570528686 /nfs/dbraw/zinc/52/86/86/570528686.db2.gz RQJOYPCGCTXJIQ-GOSISDBHSA-N 1 2 359.495 3.738 40 0 FHABLO O=C(NCc1ccccc1F)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000012088116 570717644 /nfs/dbraw/zinc/71/76/44/570717644.db2.gz DYNOQNWHNYIDIW-UHFFFAOYSA-N 1 2 360.392 3.732 40 0 FHABLO C[C@H](NC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1)c1cccs1 ZINC000012116350 570719613 /nfs/dbraw/zinc/71/96/13/570719613.db2.gz ORCLAVBEBBCJPH-AWEZNQCLSA-N 1 2 368.506 3.729 40 0 FHABLO COc1ccc(C[N@@H+](Cc2cccc(C)n2)C[C@H]2CCCO2)c(OC)c1 ZINC000012118237 570720117 /nfs/dbraw/zinc/72/01/17/570720117.db2.gz UERAUDMGODVSFF-HXUWFJFHSA-N 1 2 356.466 3.588 40 0 FHABLO COc1ccc(C[N@H+](Cc2cccc(C)n2)C[C@H]2CCCO2)c(OC)c1 ZINC000012118237 570720121 /nfs/dbraw/zinc/72/01/21/570720121.db2.gz UERAUDMGODVSFF-HXUWFJFHSA-N 1 2 356.466 3.588 40 0 FHABLO CCc1[nH+]c2cc(NC(=O)c3cccc(N4CCCC4=O)c3)ccc2n1C ZINC000012143791 570722262 /nfs/dbraw/zinc/72/22/62/570722262.db2.gz UFCWCGDDGIHQCF-UHFFFAOYSA-N 1 2 362.433 3.515 40 0 FHABLO Cc1nc2cc([C@@H]3CC[N@@H+](C[C@@H](C)c4ccccc4)C3)[nH]n2c(=O)c1C ZINC000012255268 570731468 /nfs/dbraw/zinc/73/14/68/570731468.db2.gz OYBQMBDOBDDHAM-RDTXWAMCSA-N 1 2 350.466 3.645 40 0 FHABLO Cc1nc2cc([C@@H]3CC[N@H+](C[C@@H](C)c4ccccc4)C3)[nH]n2c(=O)c1C ZINC000012255268 570731469 /nfs/dbraw/zinc/73/14/69/570731469.db2.gz OYBQMBDOBDDHAM-RDTXWAMCSA-N 1 2 350.466 3.645 40 0 FHABLO CCn1c(=O)c2c3c(sc2[nH]c1=S)C[N@H+](Cc1ccccc1)CC3 ZINC000014162724 570844984 /nfs/dbraw/zinc/84/49/84/570844984.db2.gz KPRVESUVWICZKF-UHFFFAOYSA-N 1 2 357.504 3.699 40 0 FHABLO CCn1c(=O)c2c3c(sc2[nH]c1=S)C[N@@H+](Cc1ccccc1)CC3 ZINC000014162724 570844987 /nfs/dbraw/zinc/84/49/87/570844987.db2.gz KPRVESUVWICZKF-UHFFFAOYSA-N 1 2 357.504 3.699 40 0 FHABLO O[C@@H]1c2ccccc2[C@H](O)c2ccc3c(c21)C[N@H+](Cc1ccccc1)CC3 ZINC000031772144 571055667 /nfs/dbraw/zinc/05/56/67/571055667.db2.gz WDBPFTQKJYIDGQ-BJKOFHAPSA-N 1 2 357.453 3.722 40 0 FHABLO O[C@@H]1c2ccccc2[C@H](O)c2ccc3c(c21)C[N@@H+](Cc1ccccc1)CC3 ZINC000031772144 571055669 /nfs/dbraw/zinc/05/56/69/571055669.db2.gz WDBPFTQKJYIDGQ-BJKOFHAPSA-N 1 2 357.453 3.722 40 0 FHABLO C[NH+](C)c1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000032109726 571057129 /nfs/dbraw/zinc/05/71/29/571057129.db2.gz AFNOKMGZJNRYQY-HMMYKYKNSA-N 1 2 372.428 3.641 40 0 FHABLO CC(C)(C)c1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000044844504 571102492 /nfs/dbraw/zinc/10/24/92/571102492.db2.gz ZEXRDPAPDXNUDZ-UHFFFAOYSA-N 1 2 363.461 3.865 40 0 FHABLO CCOc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)cc1 ZINC000329033387 571108001 /nfs/dbraw/zinc/10/80/01/571108001.db2.gz QUJQTOGNBHPNQC-UHFFFAOYSA-N 1 2 364.449 3.502 40 0 FHABLO c1csc(Nc2nccc([C@H]3CCCC[N@H+]3Cc3ccccn3)n2)n1 ZINC000072377657 571186684 /nfs/dbraw/zinc/18/66/84/571186684.db2.gz YCIDCIHRGGGLLO-MRXNPFEDSA-N 1 2 352.467 3.799 40 0 FHABLO c1csc(Nc2nccc([C@H]3CCCC[N@@H+]3Cc3ccccn3)n2)n1 ZINC000072377657 571186685 /nfs/dbraw/zinc/18/66/85/571186685.db2.gz YCIDCIHRGGGLLO-MRXNPFEDSA-N 1 2 352.467 3.799 40 0 FHABLO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n[nH]1 ZINC000072380493 571188108 /nfs/dbraw/zinc/18/81/08/571188108.db2.gz LARPRCYYKBBJQR-FQEVSTJZSA-N 1 2 352.482 3.809 40 0 FHABLO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)n[nH]1 ZINC000072380493 571188110 /nfs/dbraw/zinc/18/81/10/571188110.db2.gz LARPRCYYKBBJQR-FQEVSTJZSA-N 1 2 352.482 3.809 40 0 FHABLO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)[nH]n1 ZINC000072380493 571188111 /nfs/dbraw/zinc/18/81/11/571188111.db2.gz LARPRCYYKBBJQR-FQEVSTJZSA-N 1 2 352.482 3.809 40 0 FHABLO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)[nH]n1 ZINC000072380493 571188113 /nfs/dbraw/zinc/18/81/13/571188113.db2.gz LARPRCYYKBBJQR-FQEVSTJZSA-N 1 2 352.482 3.809 40 0 FHABLO Cc1ccccc1C[N@H+]1CCc2oc(C(=O)N3C[C@H](C)C[C@H](C)C3)nc2C1 ZINC000585111846 571225826 /nfs/dbraw/zinc/22/58/26/571225826.db2.gz HPNJJDHKRLHMGD-IYBDPMFKSA-N 1 2 367.493 3.659 40 0 FHABLO Cc1ccccc1C[N@@H+]1CCc2oc(C(=O)N3C[C@H](C)C[C@H](C)C3)nc2C1 ZINC000585111846 571225827 /nfs/dbraw/zinc/22/58/27/571225827.db2.gz HPNJJDHKRLHMGD-IYBDPMFKSA-N 1 2 367.493 3.659 40 0 FHABLO Fc1cccc(C[N@@H+](Cc2ccnn2[C@@H]2CCCCO2)C[C@H]2CCCO2)c1 ZINC000019293773 571303851 /nfs/dbraw/zinc/30/38/51/571303851.db2.gz WKFDTFIGJCVQGL-RTWAWAEBSA-N 1 2 373.472 3.903 40 0 FHABLO Fc1cccc(C[N@H+](Cc2ccnn2[C@@H]2CCCCO2)C[C@H]2CCCO2)c1 ZINC000019293773 571303853 /nfs/dbraw/zinc/30/38/53/571303853.db2.gz WKFDTFIGJCVQGL-RTWAWAEBSA-N 1 2 373.472 3.903 40 0 FHABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(Cl)c3)[nH]2)cc1OCC ZINC000095534519 571331446 /nfs/dbraw/zinc/33/14/46/571331446.db2.gz VGIWJJBKRYTUCH-QGZVFWFLSA-N 1 2 372.856 3.971 40 0 FHABLO CCOc1cc([C@@H]([NH3+])c2nnc(-c3cccc(Cl)c3)[nH]2)ccc1OC ZINC000095534375 571331462 /nfs/dbraw/zinc/33/14/62/571331462.db2.gz JEZLBYVVGCBYML-MRXNPFEDSA-N 1 2 358.829 3.581 40 0 FHABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(C)cc3)[nH]2)cc1OCC ZINC000095534598 571331471 /nfs/dbraw/zinc/33/14/71/571331471.db2.gz SXSBMTJOLFEANP-SFHVURJKSA-N 1 2 352.438 3.626 40 0 FHABLO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccc(C)cc3)n[nH]2)cc1OCC ZINC000095534598 571331472 /nfs/dbraw/zinc/33/14/72/571331472.db2.gz SXSBMTJOLFEANP-SFHVURJKSA-N 1 2 352.438 3.626 40 0 FHABLO CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2F)cc(C2CC2)[nH+]1 ZINC000329071943 210134622 /nfs/dbraw/zinc/13/46/22/210134622.db2.gz ZTXXGWXKFVQTSQ-MRXNPFEDSA-N 1 2 364.852 3.741 40 0 FHABLO CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2F)cc(C2CC2)[nH+]1 ZINC000329071942 210134448 /nfs/dbraw/zinc/13/44/48/210134448.db2.gz ZTXXGWXKFVQTSQ-INIZCTEOSA-N 1 2 364.852 3.741 40 0 FHABLO COc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NC(C)(C)C)n2)c1 ZINC000329035319 210132393 /nfs/dbraw/zinc/13/23/93/210132393.db2.gz RDMIGYWHCGXJTI-UHFFFAOYSA-N 1 2 363.465 3.792 40 0 FHABLO CCOc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1 ZINC000328968875 210127686 /nfs/dbraw/zinc/12/76/86/210127686.db2.gz DAVNTYBRAQDBNX-SFHVURJKSA-N 1 2 356.470 3.925 40 0 FHABLO CCNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CCCC2)n1 ZINC000328975101 210126608 /nfs/dbraw/zinc/12/66/08/210126608.db2.gz FJKMUKGJGHWJGX-UHFFFAOYSA-N 1 2 366.387 3.672 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000306135291 210053952 /nfs/dbraw/zinc/05/39/52/210053952.db2.gz OMNOJRDGMGDTEL-QFBILLFUSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000306135291 210053956 /nfs/dbraw/zinc/05/39/56/210053956.db2.gz OMNOJRDGMGDTEL-QFBILLFUSA-N 1 2 371.483 3.763 40 0 FHABLO CC(C)COc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022288868 211346445 /nfs/dbraw/zinc/34/64/45/211346445.db2.gz KBZFRWXNPJAIEJ-UHFFFAOYSA-N 1 2 368.477 3.806 40 0 FHABLO COc1cccc(C[N@@H+]2CCN(C(=O)Nc3ccccc3F)[C@@H](C)C2)c1 ZINC000019575614 211236509 /nfs/dbraw/zinc/23/65/09/211236509.db2.gz XGTWFMYZAHXNFE-HNNXBMFYSA-N 1 2 357.429 3.573 40 0 FHABLO COc1cccc(C[N@H+]2CCN(C(=O)Nc3ccccc3F)[C@@H](C)C2)c1 ZINC000019575614 211236510 /nfs/dbraw/zinc/23/65/10/211236510.db2.gz XGTWFMYZAHXNFE-HNNXBMFYSA-N 1 2 357.429 3.573 40 0 FHABLO CCn1c(C)[nH+]c2cc(NC(=O)Cn3c(=O)cc(C)c4ccccc43)ccc21 ZINC000019657136 211242863 /nfs/dbraw/zinc/24/28/63/211242863.db2.gz ACEUOEJKDKMWCN-UHFFFAOYSA-N 1 2 374.444 3.627 40 0 FHABLO Fc1cccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1F ZINC000019292684 211214899 /nfs/dbraw/zinc/21/48/99/211214899.db2.gz MLWKHMSFEJGEQD-KBXCAEBGSA-N 1 2 356.420 3.617 40 0 FHABLO Fc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)c1F ZINC000019292684 211214905 /nfs/dbraw/zinc/21/49/05/211214905.db2.gz MLWKHMSFEJGEQD-KBXCAEBGSA-N 1 2 356.420 3.617 40 0 FHABLO Cc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCCN4C)ncc3C2)cc1C ZINC000019214008 211205741 /nfs/dbraw/zinc/20/57/41/211205741.db2.gz QPNNPQDJJLPFTO-OAQYLSRUSA-N 1 2 350.510 3.809 40 0 FHABLO Cc1ccc(C[N@H+]2CCc3nc([C@H]4CCCCN4C)ncc3C2)cc1C ZINC000019214008 211205748 /nfs/dbraw/zinc/20/57/48/211205748.db2.gz QPNNPQDJJLPFTO-OAQYLSRUSA-N 1 2 350.510 3.809 40 0 FHABLO COC(=O)c1ccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219850458 132274831 /nfs/dbraw/zinc/27/48/31/132274831.db2.gz JCFNDRVAFHWYIZ-UHFFFAOYSA-N 1 2 352.434 3.637 40 0 FHABLO Cc1nc(N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)cc[nH+]1 ZINC000257234475 132295565 /nfs/dbraw/zinc/29/55/65/132295565.db2.gz GTQUBFFJHGDCEZ-INIZCTEOSA-N 1 2 352.413 3.887 40 0 FHABLO COc1ccccc1C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3ccccc3o2)C1 ZINC000096112091 222028931 /nfs/dbraw/zinc/02/89/31/222028931.db2.gz HYTBLUFIXTWEPB-BEFAXECRSA-N 1 2 356.397 3.576 40 0 biogenic,in-vitro FHABLO COc1ccccc1C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3ccccc3o2)C1 ZINC000096112091 222028934 /nfs/dbraw/zinc/02/89/34/222028934.db2.gz HYTBLUFIXTWEPB-BEFAXECRSA-N 1 2 356.397 3.576 40 0 biogenic,in-vitro FHABLO FC(F)(F)c1ccc(NC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000017075219 263372188 /nfs/dbraw/zinc/37/21/88/263372188.db2.gz YCOKEJQNWBWNLF-UHFFFAOYSA-N 1 2 366.412 3.619 40 0 FHABLO Cc1cn2c(cccc2[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)[nH+]1 ZINC000257211447 534504207 /nfs/dbraw/zinc/50/42/07/534504207.db2.gz BYWUUTFUCIZRKR-KRWDZBQOSA-N 1 2 351.425 3.731 40 0 FHABLO Cc1[nH+]cc(-c2cc(C)nc([C@@H]3CCCCN3C(=O)C(C)(C)C)n2)n1C ZINC000257232845 534720142 /nfs/dbraw/zinc/72/01/42/534720142.db2.gz GMRCEUNZRLFEGV-INIZCTEOSA-N 1 2 355.486 3.594 40 0 FHABLO C[C@H]1CCC[N@@H+]([C@H](c2cccs2)c2nnnn2CCc2ccccc2)C1 ZINC000245230731 524105304 /nfs/dbraw/zinc/10/53/04/524105304.db2.gz XTBUYGUTNMGODQ-QFBILLFUSA-N 1 2 367.522 3.799 40 0 FHABLO C[C@H]1CCC[N@H+]([C@H](c2cccs2)c2nnnn2CCc2ccccc2)C1 ZINC000245230731 524105314 /nfs/dbraw/zinc/10/53/14/524105314.db2.gz XTBUYGUTNMGODQ-QFBILLFUSA-N 1 2 367.522 3.799 40 0 FHABLO Cc1ccc(CSCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020462737 524643171 /nfs/dbraw/zinc/64/31/71/524643171.db2.gz RPMMPHFIBHQWAI-UHFFFAOYSA-N 1 2 351.475 3.730 40 0 FHABLO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000216444410 568123627 /nfs/dbraw/zinc/12/36/27/568123627.db2.gz FZGPBEOAUDQIOZ-OAQYLSRUSA-N 1 2 363.461 3.963 40 0 FHABLO CCN(C)c1[nH+]cccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212815 570527991 /nfs/dbraw/zinc/52/79/91/570527991.db2.gz PRHRMPBGLPSSRH-LJQANCHMSA-N 1 2 373.522 3.762 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH+]c2NC2CCC2)cc1 ZINC000072213907 570529435 /nfs/dbraw/zinc/52/94/35/570529435.db2.gz UUBLSWKWZKCIJQ-LJQANCHMSA-N 1 2 371.506 3.880 40 0 FHABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2cccs2)C1 ZINC000012145823 570722642 /nfs/dbraw/zinc/72/26/42/570722642.db2.gz LCEUIVWJIZBELA-OAHLLOKOSA-N 1 2 368.506 3.651 40 0 FHABLO CCn1c(CO)[nH+]c2cc(NCc3cn(C)c4cc(F)ccc34)ccc21 ZINC000012147664 570723035 /nfs/dbraw/zinc/72/30/35/570723035.db2.gz LPDPMWZTKVIWDG-UHFFFAOYSA-N 1 2 352.413 3.791 40 0 FHABLO COCCc1ncc(C[NH2+]C2(c3ccc(Cl)cc3Cl)CC2)cn1 ZINC000012361954 570738748 /nfs/dbraw/zinc/73/87/48/570738748.db2.gz JXFRMISYXHJWNY-UHFFFAOYSA-N 1 2 352.265 3.751 40 0 FHABLO Cc1ccc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1C ZINC000225219916 571022627 /nfs/dbraw/zinc/02/26/27/571022627.db2.gz UEKMGVPZVDGUBR-UHFFFAOYSA-N 1 2 355.507 3.524 40 0 FHABLO COc1ccc(S[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000030873585 571052394 /nfs/dbraw/zinc/05/23/94/571052394.db2.gz QSVRMCOPMUVREH-KRWDZBQOSA-N 1 2 370.518 3.520 40 0 FHABLO Fc1cccc(C[N@@H+](Cc2ccnn2[C@H]2CCCCO2)C[C@@H]2CCCO2)c1 ZINC000036719409 571081337 /nfs/dbraw/zinc/08/13/37/571081337.db2.gz WKFDTFIGJCVQGL-LEWJYISDSA-N 1 2 373.472 3.903 40 0 FHABLO Fc1cccc(C[N@H+](Cc2ccnn2[C@H]2CCCCO2)C[C@@H]2CCCO2)c1 ZINC000036719409 571081341 /nfs/dbraw/zinc/08/13/41/571081341.db2.gz WKFDTFIGJCVQGL-LEWJYISDSA-N 1 2 373.472 3.903 40 0 FHABLO C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000038755650 571086267 /nfs/dbraw/zinc/08/62/67/571086267.db2.gz IZAUDNJHVGQDRI-MRXNPFEDSA-N 1 2 351.475 3.810 40 0 FHABLO Cc1ccccc1CSCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038853066 571088438 /nfs/dbraw/zinc/08/84/38/571088438.db2.gz NUHFCNWDIJEGCZ-UHFFFAOYSA-N 1 2 365.502 3.903 40 0 FHABLO Cc1ccsc1C[N@@H+]1Cc2cncn2[C@@H](COCc2csc(C)n2)C1 ZINC000248038912 571127319 /nfs/dbraw/zinc/12/73/19/571127319.db2.gz OGEKYLZNBZCDMW-QGZVFWFLSA-N 1 2 374.535 3.792 40 0 FHABLO Cc1ccsc1C[N@H+]1Cc2cncn2[C@@H](COCc2csc(C)n2)C1 ZINC000248038912 571127324 /nfs/dbraw/zinc/12/73/24/571127324.db2.gz OGEKYLZNBZCDMW-QGZVFWFLSA-N 1 2 374.535 3.792 40 0 FHABLO Cc1ccsc1CN1Cc2c[nH+]cn2[C@@H](COCc2csc(C)n2)C1 ZINC000248038912 571127327 /nfs/dbraw/zinc/12/73/27/571127327.db2.gz OGEKYLZNBZCDMW-QGZVFWFLSA-N 1 2 374.535 3.792 40 0 FHABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@H](CCOCc2cccnc2)C1 ZINC000253599780 571138882 /nfs/dbraw/zinc/13/88/82/571138882.db2.gz UJJBWBTUCDTATA-LJQANCHMSA-N 1 2 368.506 3.812 40 0 FHABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@H](CCOCc2cccnc2)C1 ZINC000253599780 571138884 /nfs/dbraw/zinc/13/88/84/571138884.db2.gz UJJBWBTUCDTATA-LJQANCHMSA-N 1 2 368.506 3.812 40 0 FHABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072355385 571182419 /nfs/dbraw/zinc/18/24/19/571182419.db2.gz IBYWOHYVXZCBMP-KRWDZBQOSA-N 1 2 367.497 3.682 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000072362989 571184736 /nfs/dbraw/zinc/18/47/36/571184736.db2.gz ZCAVKEPMLPUACD-AWEZNQCLSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000072362989 571184739 /nfs/dbraw/zinc/18/47/39/571184739.db2.gz ZCAVKEPMLPUACD-AWEZNQCLSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccccc1Oc1nccnc1[C@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000072362989 571184745 /nfs/dbraw/zinc/18/47/45/571184745.db2.gz ZCAVKEPMLPUACD-AWEZNQCLSA-N 1 2 353.401 3.511 40 0 FHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000072378888 571187411 /nfs/dbraw/zinc/18/74/11/571187411.db2.gz NEONTRFLGXIISI-LJQANCHMSA-N 1 2 374.488 3.778 40 0 FHABLO Cc1cnc(Nc2nc(C)nc3c2C[N@H+](Cc2ccccc2)CC3)s1 ZINC000072380787 571188394 /nfs/dbraw/zinc/18/83/94/571188394.db2.gz CAOBJTQGVGNSKW-UHFFFAOYSA-N 1 2 351.479 3.852 40 0 FHABLO Cc1cnc(Nc2nc(C)nc3c2C[N@@H+](Cc2ccccc2)CC3)s1 ZINC000072380787 571188396 /nfs/dbraw/zinc/18/83/96/571188396.db2.gz CAOBJTQGVGNSKW-UHFFFAOYSA-N 1 2 351.479 3.852 40 0 FHABLO Clc1ccc(Oc2cncc([C@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000072384349 571189304 /nfs/dbraw/zinc/18/93/04/571189304.db2.gz NNRUEEHTQSBUNM-MRXNPFEDSA-N 1 2 355.829 3.983 40 0 FHABLO O=C(NCc1cccc2ccccc21)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000074475670 571201910 /nfs/dbraw/zinc/20/19/10/571201910.db2.gz XQVVFYDYAXDFJK-UHFFFAOYSA-N 1 2 360.457 3.602 40 0 FHABLO Cc1cc(C)[nH+]c(N2NC3=C(C(=O)C[C@H](C)C3)[C@H]2c2ccc(F)cc2)n1 ZINC000017073028 571303830 /nfs/dbraw/zinc/30/38/30/571303830.db2.gz CAFJDMDZGJULPZ-NSPYISDASA-N 1 2 352.413 3.552 40 0 FHABLO CCOc1cc(-c2nnc([C@H]([NH3+])c3ccc(Cl)cc3)[nH]2)ccc1OC ZINC000095534056 571331407 /nfs/dbraw/zinc/33/14/07/571331407.db2.gz QOCASWPUAFLPSS-MRXNPFEDSA-N 1 2 358.829 3.581 40 0 FHABLO Brc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000217499527 571348052 /nfs/dbraw/zinc/34/80/52/571348052.db2.gz YLRRTWMAQYUBLA-GOSISDBHSA-N 1 2 362.267 3.729 40 0 FHABLO Brc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000217499527 571348053 /nfs/dbraw/zinc/34/80/53/571348053.db2.gz YLRRTWMAQYUBLA-GOSISDBHSA-N 1 2 362.267 3.729 40 0 FHABLO CC(C)[C@H](CO)Nc1nc(Nc2c(F)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329069705 210134593 /nfs/dbraw/zinc/13/45/93/210134593.db2.gz YZYWBHMVFOFSES-HNNXBMFYSA-N 1 2 364.852 3.741 40 0 FHABLO CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329032219 210133691 /nfs/dbraw/zinc/13/36/91/210133691.db2.gz QMYRWRJGFSXRIX-UHFFFAOYSA-N 1 2 354.401 3.985 40 0 FHABLO Cc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329047724 210133019 /nfs/dbraw/zinc/13/30/19/210133019.db2.gz UGVZBGYNHITJHC-KRWDZBQOSA-N 1 2 360.889 3.910 40 0 FHABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1Cl ZINC000329026076 210131325 /nfs/dbraw/zinc/13/13/25/210131325.db2.gz PJQLSYXCHLGXRN-QGZVFWFLSA-N 1 2 360.889 3.910 40 0 FHABLO CNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329008498 210128994 /nfs/dbraw/zinc/12/89/94/210128994.db2.gz LRJWLNYZOLNWJV-UHFFFAOYSA-N 1 2 362.330 3.931 40 0 FHABLO CC[C@@H](C)Nc1nc(NCc2cccc(OC)c2)cc(-c2ccccc2)[nH+]1 ZINC000328974335 210127941 /nfs/dbraw/zinc/12/79/41/210127941.db2.gz FFRVAZJYMXSXLW-MRXNPFEDSA-N 1 2 362.477 3.819 40 0 FHABLO CCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328976804 210127461 /nfs/dbraw/zinc/12/74/61/210127461.db2.gz FQBUILAIHZGWRP-UHFFFAOYSA-N 1 2 372.778 3.925 40 0 FHABLO Oc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c(Cl)c1 ZINC000328956554 210125249 /nfs/dbraw/zinc/12/52/49/210125249.db2.gz AHGRGGFRPNTCDX-UHFFFAOYSA-N 1 2 352.825 3.664 40 0 FHABLO c1coc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5cccs5)ccc34)C2)c1 ZINC000306139093 210055833 /nfs/dbraw/zinc/05/58/33/210055833.db2.gz SPDKEEDYXDPGLV-QGZVFWFLSA-N 1 2 366.446 3.624 40 0 FHABLO c1coc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5cccs5)ccc34)C2)c1 ZINC000306139093 210055840 /nfs/dbraw/zinc/05/58/40/210055840.db2.gz SPDKEEDYXDPGLV-QGZVFWFLSA-N 1 2 366.446 3.624 40 0 FHABLO Cn1c[nH+]cc1-c1cc(CC2CCN(C(=O)c3cccs3)CC2)ccn1 ZINC000257223846 223026089 /nfs/dbraw/zinc/02/60/89/223026089.db2.gz DZELAQRDALYGMH-UHFFFAOYSA-N 1 2 366.490 3.639 40 0 FHABLO Cc1ccc(Nc2nc([C@@H]3CCC[N@H+](Cc4cnc[nH]4)C3)cs2)nc1 ZINC000257297100 223054868 /nfs/dbraw/zinc/05/48/68/223054868.db2.gz RFVPHXUZLHARCJ-CQSZACIVSA-N 1 2 354.483 3.693 40 0 FHABLO Cc1ccc(Nc2nc([C@@H]3CCC[N@@H+](Cc4cnc[nH]4)C3)cs2)nc1 ZINC000257297100 223054871 /nfs/dbraw/zinc/05/48/71/223054871.db2.gz RFVPHXUZLHARCJ-CQSZACIVSA-N 1 2 354.483 3.693 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@H+]2Cc2cn(C)cn2)n1 ZINC000257296929 223055716 /nfs/dbraw/zinc/05/57/16/223055716.db2.gz RFAYPLRLWIQNSZ-SFHVURJKSA-N 1 2 366.469 3.518 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@@H+]2Cc2cn(C)cn2)n1 ZINC000257296929 223055718 /nfs/dbraw/zinc/05/57/18/223055718.db2.gz RFAYPLRLWIQNSZ-SFHVURJKSA-N 1 2 366.469 3.518 40 0 FHABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)s1 ZINC000257310017 223060421 /nfs/dbraw/zinc/06/04/21/223060421.db2.gz UDJIWUFJASJZTB-QGZVFWFLSA-N 1 2 367.478 3.559 40 0 FHABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)s1 ZINC000257310017 223060422 /nfs/dbraw/zinc/06/04/22/223060422.db2.gz UDJIWUFJASJZTB-QGZVFWFLSA-N 1 2 367.478 3.559 40 0 FHABLO COc1ccc(S[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000022523651 211354436 /nfs/dbraw/zinc/35/44/36/211354436.db2.gz WQFQHFSTXDSECX-OAHLLOKOSA-N 1 2 367.474 3.678 40 0 FHABLO COc1ccc(C(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)cn1 ZINC000019719159 211251727 /nfs/dbraw/zinc/25/17/27/211251727.db2.gz NODCNIGJBDIXJX-UHFFFAOYSA-N 1 2 358.401 3.966 40 0 FHABLO Cc1ccc(-n2cc(C[N@@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000019664433 211245942 /nfs/dbraw/zinc/24/59/42/211245942.db2.gz DRNDWCCADCFVDC-QFIPXVFZSA-N 1 2 362.477 3.757 40 0 FHABLO Cc1ccc(-n2cc(C[N@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000019664433 211245945 /nfs/dbraw/zinc/24/59/45/211245945.db2.gz DRNDWCCADCFVDC-QFIPXVFZSA-N 1 2 362.477 3.757 40 0 FHABLO CC(C)Cc1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C(C)C)n3C)n(C)n1 ZINC000019447465 211221884 /nfs/dbraw/zinc/22/18/84/211221884.db2.gz UVCYGENYRJLDBD-UHFFFAOYSA-N 1 2 353.470 3.881 40 0 FHABLO Cc1nc([C@H](Cc2ccsc2)NC(=O)CCn2cc[nH+]c2)sc1C ZINC000019559764 211233339 /nfs/dbraw/zinc/23/33/39/211233339.db2.gz BVJFSVBMRDNCSW-HNNXBMFYSA-N 1 2 360.508 3.508 40 0 FHABLO CC(C)c1ccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000016704549 211166302 /nfs/dbraw/zinc/16/63/02/211166302.db2.gz DJYKDWMMJYCVFK-UHFFFAOYSA-N 1 2 354.523 3.720 40 0 FHABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccccc2F)CC1 ZINC000012221695 210930681 /nfs/dbraw/zinc/93/06/81/210930681.db2.gz UGZKUJTXJYLWJQ-UHFFFAOYSA-N 1 2 352.413 3.568 40 0 FHABLO COC(=O)c1ccc2c(c1)CCN(c1cc(Nc3ccccc3)nc(C)[nH+]1)C2 ZINC000328995975 132372233 /nfs/dbraw/zinc/37/22/33/132372233.db2.gz JJNYMAOHINMATB-UHFFFAOYSA-N 1 2 374.444 3.878 40 0 FHABLO CCCC[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670179 136129904 /nfs/dbraw/zinc/12/99/04/136129904.db2.gz OQEDRALLTOOZGN-HXUWFJFHSA-N 1 2 370.545 3.924 40 0 FHABLO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020109133 523061544 /nfs/dbraw/zinc/06/15/44/523061544.db2.gz DIJMWXUEWSKCDE-GOSISDBHSA-N 1 2 369.852 4.000 40 0 FHABLO C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020493480 525957157 /nfs/dbraw/zinc/95/71/57/525957157.db2.gz YJXQYJPZFAMSTL-CQSZACIVSA-N 1 2 355.825 3.609 40 0 FHABLO Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000222652667 568549876 /nfs/dbraw/zinc/54/98/76/568549876.db2.gz HHBRSPCTTRUORG-UHFFFAOYSA-N 1 2 363.461 3.999 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(NCC(C)C)[nH+]c2)cc1 ZINC000072213324 570528621 /nfs/dbraw/zinc/52/86/21/570528621.db2.gz XVXPWZRVDFQIKS-IBGZPJMESA-N 1 2 373.522 3.984 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000072215932 570533630 /nfs/dbraw/zinc/53/36/30/570533630.db2.gz LMUIJKHBSSNVIJ-IBGZPJMESA-N 1 2 371.506 3.516 40 0 FHABLO COc1ccccc1-c1ccc(=O)n(C[N@@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1 ZINC000072403143 570549688 /nfs/dbraw/zinc/54/96/88/570549688.db2.gz AISXYADEAKLWAX-OPAMFIHVSA-N 1 2 367.493 3.777 40 0 FHABLO COc1ccccc1-c1ccc(=O)n(C[N@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1 ZINC000072403143 570549689 /nfs/dbraw/zinc/54/96/89/570549689.db2.gz AISXYADEAKLWAX-OPAMFIHVSA-N 1 2 367.493 3.777 40 0 FHABLO CCc1nc2sc([C@@H](c3ccco3)[NH+]3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 ZINC000036104880 570693572 /nfs/dbraw/zinc/69/35/72/570693572.db2.gz WEYKRRMZTFAVNK-SLEUVZQESA-N 1 2 360.483 3.719 40 0 FHABLO C[C@@H](NC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2C)C1)c1ccccc1 ZINC000012145809 570722771 /nfs/dbraw/zinc/72/27/71/570722771.db2.gz KQOGQNHCCYUNTL-AEFFLSMTSA-N 1 2 362.477 3.667 40 0 FHABLO Cc1ccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000225225150 571022949 /nfs/dbraw/zinc/02/29/49/571022949.db2.gz GOLODKAHDMZBTQ-UHFFFAOYSA-N 1 2 360.914 3.558 40 0 FHABLO CC(C)Sc1nnc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000225803431 571067635 /nfs/dbraw/zinc/06/76/35/571067635.db2.gz UQFURWMNYQSHKZ-UHFFFAOYSA-N 1 2 359.480 3.536 40 0 FHABLO Cc1cccc(C[N@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)n1 ZINC000247864400 571125924 /nfs/dbraw/zinc/12/59/24/571125924.db2.gz HVUGDOSXZYBLSA-QFIPXVFZSA-N 1 2 369.509 3.582 40 0 FHABLO Cc1cccc(C[N@@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)n1 ZINC000247864400 571125926 /nfs/dbraw/zinc/12/59/26/571125926.db2.gz HVUGDOSXZYBLSA-QFIPXVFZSA-N 1 2 369.509 3.582 40 0 FHABLO Clc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccncc2)CCO3)cc1 ZINC000253494874 571136090 /nfs/dbraw/zinc/13/60/90/571136090.db2.gz ZDLLYHNBXOORAQ-IBGZPJMESA-N 1 2 358.869 3.685 40 0 FHABLO Clc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2COCc1cccnc1 ZINC000253491156 571136100 /nfs/dbraw/zinc/13/61/00/571136100.db2.gz LIOQBWZMLRRWIZ-GOSISDBHSA-N 1 2 358.869 3.543 40 0 FHABLO Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@@H+]1Cc1cccc2cccnc21 ZINC000072336921 571178941 /nfs/dbraw/zinc/17/89/41/571178941.db2.gz WZCOXEAZTMZUBI-MJGOQNOKSA-N 1 2 355.445 3.848 40 0 FHABLO Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@H+]1Cc1cccc2cccnc21 ZINC000072336921 571178944 /nfs/dbraw/zinc/17/89/44/571178944.db2.gz WZCOXEAZTMZUBI-MJGOQNOKSA-N 1 2 355.445 3.848 40 0 FHABLO Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000072369441 571184831 /nfs/dbraw/zinc/18/48/31/571184831.db2.gz SXIHLFJEFXBSDQ-MRXNPFEDSA-N 1 2 356.470 3.587 40 0 FHABLO c1csc(Nc2nccc([C@H]3CCCC[N@H+]3Cc3cccnc3)n2)n1 ZINC000072377649 571186374 /nfs/dbraw/zinc/18/63/74/571186374.db2.gz OALCCQIWKPEIMH-MRXNPFEDSA-N 1 2 352.467 3.799 40 0 FHABLO c1csc(Nc2nccc([C@H]3CCCC[N@@H+]3Cc3cccnc3)n2)n1 ZINC000072377649 571186377 /nfs/dbraw/zinc/18/63/77/571186377.db2.gz OALCCQIWKPEIMH-MRXNPFEDSA-N 1 2 352.467 3.799 40 0 FHABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000072378516 571187057 /nfs/dbraw/zinc/18/70/57/571187057.db2.gz QNYJGBGIQVAGTR-QGZVFWFLSA-N 1 2 353.470 3.639 40 0 FHABLO CCOc1ccc(C(=O)N2CCc3[nH+]cc(-c4ccccc4)n3CC2)cc1 ZINC000585111370 571226745 /nfs/dbraw/zinc/22/67/45/571226745.db2.gz QRFNGKWPWRNSFZ-UHFFFAOYSA-N 1 2 361.445 3.647 40 0 FHABLO CC(C)c1ccc(OCc2cc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)[nH]n2)cc1 ZINC000019704656 571304543 /nfs/dbraw/zinc/30/45/43/571304543.db2.gz SELCXVYYKUGSBK-KRWDZBQOSA-N 1 2 365.481 3.825 40 0 FHABLO CC(C)c1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)[nH]n2)cc1 ZINC000019704656 571304544 /nfs/dbraw/zinc/30/45/44/571304544.db2.gz SELCXVYYKUGSBK-KRWDZBQOSA-N 1 2 365.481 3.825 40 0 FHABLO O=C(CSCc1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020238102 571304965 /nfs/dbraw/zinc/30/49/65/571304965.db2.gz MCUZSCOTHWTIEZ-UHFFFAOYSA-N 1 2 374.937 3.918 40 0 FHABLO Cc1cccc(-n2ncc3c2nc[nH+]c3NCc2ccc3c(c2)OCCO3)c1 ZINC000027816360 210164162 /nfs/dbraw/zinc/16/41/62/210164162.db2.gz KEZHXUVPGGBABO-UHFFFAOYSA-N 1 2 373.416 3.507 40 0 FHABLO Cc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NC2CCCC2)n1 ZINC000329038630 210134128 /nfs/dbraw/zinc/13/41/28/210134128.db2.gz RTMUXVFNQUVADN-UHFFFAOYSA-N 1 2 359.477 3.657 40 0 FHABLO COc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329032200 210132934 /nfs/dbraw/zinc/13/29/34/210132934.db2.gz QMHHHJHHRDTJNJ-UHFFFAOYSA-N 1 2 374.488 3.963 40 0 FHABLO COc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)cc(OC)c1 ZINC000329026904 210130193 /nfs/dbraw/zinc/13/01/93/210130193.db2.gz PPEZRNPAKGMZGX-UHFFFAOYSA-N 1 2 364.449 3.569 40 0 FHABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1C(F)(F)F ZINC000329007199 210128670 /nfs/dbraw/zinc/12/86/70/210128670.db2.gz LIRHPNNXDIDSST-UHFFFAOYSA-N 1 2 364.371 3.543 40 0 FHABLO CC[C@H](C)Nc1nc(Nc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000328960141 210126489 /nfs/dbraw/zinc/12/64/89/210126489.db2.gz AXAXCMBZEZLBSS-NSHDSACASA-N 1 2 361.287 3.914 40 0 FHABLO O=C(C1CCC1)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306127562 210050524 /nfs/dbraw/zinc/05/05/24/210050524.db2.gz GBZZYBUDCHYVMD-NRFANRHFSA-N 1 2 372.472 3.601 40 0 FHABLO Clc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(-c3cnccn3)o2)cc1 ZINC000257229832 223029181 /nfs/dbraw/zinc/02/91/81/223029181.db2.gz FZQLARPNYFMWPY-INIZCTEOSA-N 1 2 355.829 3.907 40 0 FHABLO Clc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(-c3cnccn3)o2)cc1 ZINC000257229832 223029184 /nfs/dbraw/zinc/02/91/84/223029184.db2.gz FZQLARPNYFMWPY-INIZCTEOSA-N 1 2 355.829 3.907 40 0 FHABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)[nH+]1 ZINC000257237235 223031642 /nfs/dbraw/zinc/03/16/42/223031642.db2.gz HFRTZVZQZUCNIG-MRXNPFEDSA-N 1 2 356.470 3.784 40 0 FHABLO Cc1ccc(Nc2nc([C@H]3CCC[N@H+]3Cc3cnn(C)c3)cs2)nc1 ZINC000257239110 223033573 /nfs/dbraw/zinc/03/35/73/223033573.db2.gz HNZWIAXVGHXMMC-MRXNPFEDSA-N 1 2 354.483 3.661 40 0 FHABLO Cc1ccc(Nc2nc([C@H]3CCC[N@@H+]3Cc3cnn(C)c3)cs2)nc1 ZINC000257239110 223033574 /nfs/dbraw/zinc/03/35/74/223033574.db2.gz HNZWIAXVGHXMMC-MRXNPFEDSA-N 1 2 354.483 3.661 40 0 FHABLO Cn1c[nH+]cc1-c1cc(CC2CCN(C(=O)c3ccccc3)CC2)ccn1 ZINC000257286860 223050662 /nfs/dbraw/zinc/05/06/62/223050662.db2.gz PNJDBFGPFSMKJY-UHFFFAOYSA-N 1 2 360.461 3.577 40 0 FHABLO Oc1cccc2c1OC1(CC[NH+](Cc3cscn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257296769 223054885 /nfs/dbraw/zinc/05/48/85/223054885.db2.gz REIDFEQPNSNURA-FUHWJXTLSA-N 1 2 372.490 3.744 40 0 FHABLO Cc1cc(-c2nccn2C)nc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000257299778 223057093 /nfs/dbraw/zinc/05/70/93/223057093.db2.gz RROBLIFBQRVERG-GOSISDBHSA-N 1 2 351.429 3.662 40 0 FHABLO Cc1cc(-c2nccn2C)nc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000257299778 223057095 /nfs/dbraw/zinc/05/70/95/223057095.db2.gz RROBLIFBQRVERG-GOSISDBHSA-N 1 2 351.429 3.662 40 0 FHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000257328462 223066665 /nfs/dbraw/zinc/06/66/65/223066665.db2.gz XFSRDMIAWCRXEO-NRFANRHFSA-N 1 2 366.440 3.678 40 0 FHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000257328462 223066660 /nfs/dbraw/zinc/06/66/60/223066660.db2.gz XFSRDMIAWCRXEO-NRFANRHFSA-N 1 2 366.440 3.678 40 0 FHABLO Cc1ccc(Nc2nc([C@H]3CCCN3Cc3cn(C)c[nH+]3)cs2)nc1 ZINC000257338497 223070562 /nfs/dbraw/zinc/07/05/62/223070562.db2.gz YXRLTBPVQMUSGU-MRXNPFEDSA-N 1 2 354.483 3.661 40 0 FHABLO Cc1c(Cl)cccc1NC(=O)Cn1c[nH+]c2cc3c(cc21)OCCCO3 ZINC000014000681 220101745 /nfs/dbraw/zinc/10/17/45/220101745.db2.gz MPSZGZWMIHMRAK-UHFFFAOYSA-N 1 2 371.824 3.798 40 0 FHABLO Cc1cc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1Cl ZINC000030850580 211526334 /nfs/dbraw/zinc/52/63/34/211526334.db2.gz URMLXARXCZLVQO-UHFFFAOYSA-N 1 2 355.825 3.529 40 0 FHABLO Cc1nn(C)c(C)c1CCn1c[nH+]cc1-c1cnc(N2CCCCC2)s1 ZINC000019719801 211251838 /nfs/dbraw/zinc/25/18/38/211251838.db2.gz HUPPQKJTZSXUDC-UHFFFAOYSA-N 1 2 370.526 3.590 40 0 FHABLO CCn1nc(C)c(-c2c[nH+]cn2CCCOc2cccc(OC)c2)c1C ZINC000019719615 211252517 /nfs/dbraw/zinc/25/25/17/211252517.db2.gz UNDXKTKSEJEWJU-UHFFFAOYSA-N 1 2 354.454 3.861 40 0 FHABLO Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(-n2cc[nH+]c2C(C)C)cc1 ZINC000019572304 211236436 /nfs/dbraw/zinc/23/64/36/211236436.db2.gz LICRCKYGWDYKGC-UHFFFAOYSA-N 1 2 364.449 3.564 40 0 FHABLO COc1cccc(C[N@@H+]2CCO[C@H](c3cc4ccccc4cn3)C2)c1OC ZINC000019568014 211236169 /nfs/dbraw/zinc/23/61/69/211236169.db2.gz COADAJGUGFIRAX-NRFANRHFSA-N 1 2 364.445 3.826 40 0 FHABLO COc1cccc(C[N@H+]2CCO[C@H](c3cc4ccccc4cn3)C2)c1OC ZINC000019568014 211236172 /nfs/dbraw/zinc/23/61/72/211236172.db2.gz COADAJGUGFIRAX-NRFANRHFSA-N 1 2 364.445 3.826 40 0 FHABLO COc1cccc(C[N@@H+]2CCC[C@H]2c2nc(-c3cccnc3)cc(=O)[nH]2)c1 ZINC000019565189 211234035 /nfs/dbraw/zinc/23/40/35/211234035.db2.gz KVHZVXXJENCAGX-IBGZPJMESA-N 1 2 362.433 3.590 40 0 FHABLO COc1cccc(C[N@H+]2CCC[C@H]2c2nc(-c3cccnc3)cc(=O)[nH]2)c1 ZINC000019565189 211234042 /nfs/dbraw/zinc/23/40/42/211234042.db2.gz KVHZVXXJENCAGX-IBGZPJMESA-N 1 2 362.433 3.590 40 0 FHABLO COc1ccc(OC)c(C[N@@H+]2CCO[C@H](c3cc4ccccc4cn3)C2)c1 ZINC000019551623 211231005 /nfs/dbraw/zinc/23/10/05/211231005.db2.gz YYHQDZATTFWYRI-QFIPXVFZSA-N 1 2 364.445 3.826 40 0 FHABLO COc1ccc(OC)c(C[N@H+]2CCO[C@H](c3cc4ccccc4cn3)C2)c1 ZINC000019551623 211231008 /nfs/dbraw/zinc/23/10/08/211231008.db2.gz YYHQDZATTFWYRI-QFIPXVFZSA-N 1 2 364.445 3.826 40 0 FHABLO Cc1ccc(C[N@@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)cc1 ZINC000019210392 211207349 /nfs/dbraw/zinc/20/73/49/211207349.db2.gz MAVHNOAGMSPGTP-UHFFFAOYSA-N 1 2 350.466 3.599 40 0 FHABLO Cc1ccc(C[N@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)cc1 ZINC000019210392 211207353 /nfs/dbraw/zinc/20/73/53/211207353.db2.gz MAVHNOAGMSPGTP-UHFFFAOYSA-N 1 2 350.466 3.599 40 0 FHABLO CN(C)C(=O)c1sc2ncccc2c1C1CCN(c2cccc[nH+]2)CC1 ZINC000257282744 132296493 /nfs/dbraw/zinc/29/64/93/132296493.db2.gz OVCLMZGBNWFQRG-UHFFFAOYSA-N 1 2 366.490 3.777 40 0 FHABLO Cc1cccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)n1 ZINC000096112359 222028985 /nfs/dbraw/zinc/02/89/85/222028985.db2.gz ZGCOSQFRCVRPAY-XLIONFOSSA-N 1 2 368.456 3.622 40 0 biogenic,in-vitro FHABLO Cc1cccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)n1 ZINC000096112359 222028991 /nfs/dbraw/zinc/02/89/91/222028991.db2.gz ZGCOSQFRCVRPAY-XLIONFOSSA-N 1 2 368.456 3.622 40 0 biogenic,in-vitro FHABLO Cc1ccccc1CSCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020042990 525182204 /nfs/dbraw/zinc/18/22/04/525182204.db2.gz ODXWRSKQRDHBRD-UHFFFAOYSA-N 1 2 351.475 3.730 40 0 FHABLO CCC[C@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669488 535722905 /nfs/dbraw/zinc/72/29/05/535722905.db2.gz PULVIYOUVIFTLF-HXUWFJFHSA-N 1 2 368.529 3.842 40 0 FHABLO Fc1cccc(OCC[NH+]2CCOCC2)c1Oc1ccc(Cl)cc1 ZINC000585266239 570482620 /nfs/dbraw/zinc/48/26/20/570482620.db2.gz SLUZYZVMUJVWCK-UHFFFAOYSA-N 1 2 351.805 3.982 40 0 FHABLO Fc1cccc(OCC[NH+]2CCOCC2)c1Oc1cccc(Cl)c1 ZINC000585266171 570482762 /nfs/dbraw/zinc/48/27/62/570482762.db2.gz FBUYBBBFORCNQH-UHFFFAOYSA-N 1 2 351.805 3.982 40 0 FHABLO O=C(CSCc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408574605 570561385 /nfs/dbraw/zinc/56/13/85/570561385.db2.gz JDUFDLYVIOVCHU-KPKJPENVSA-N 1 2 366.530 3.777 40 0 FHABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000012116346 570719632 /nfs/dbraw/zinc/71/96/32/570719632.db2.gz CKDAVFPOXTWTAE-IBGZPJMESA-N 1 2 374.488 3.593 40 0 FHABLO c1csc(-c2nc(NCCc3c[nH]c[nH+]3)ncc2-c2ccsc2)n1 ZINC000012221955 570729505 /nfs/dbraw/zinc/72/95/05/570729505.db2.gz GQKPSLIZSHJMSH-UHFFFAOYSA-N 1 2 354.464 3.706 40 0 FHABLO c1csc(-c2nc(NCCc3c[nH+]c[nH]3)ncc2-c2ccsc2)n1 ZINC000012221955 570729508 /nfs/dbraw/zinc/72/95/08/570729508.db2.gz GQKPSLIZSHJMSH-UHFFFAOYSA-N 1 2 354.464 3.706 40 0 FHABLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000037079092 570772570 /nfs/dbraw/zinc/77/25/70/570772570.db2.gz QJHZRPZGWQZULD-UHFFFAOYSA-N 1 2 372.490 3.538 40 0 FHABLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000037079092 570772574 /nfs/dbraw/zinc/77/25/74/570772574.db2.gz QJHZRPZGWQZULD-UHFFFAOYSA-N 1 2 372.490 3.538 40 0 FHABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(C)=O)cc3n2)c(C)c1 ZINC000014258112 570846161 /nfs/dbraw/zinc/84/61/61/570846161.db2.gz PNEDQWKQAXJZIM-UHFFFAOYSA-N 1 2 351.454 3.842 40 0 FHABLO FC(F)(F)c1ccc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000225215341 571022493 /nfs/dbraw/zinc/02/24/93/571022493.db2.gz KVEUCROKGBQLRA-UHFFFAOYSA-N 1 2 369.412 3.813 40 0 FHABLO S=C(NCCCn1cc[nH+]c1)Nc1ccc(Br)c(Cl)c1 ZINC000225521035 571042759 /nfs/dbraw/zinc/04/27/59/571042759.db2.gz OHMYVJBFELTDQW-UHFFFAOYSA-N 1 2 373.707 3.676 40 0 FHABLO CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000225738074 571060725 /nfs/dbraw/zinc/06/07/25/571060725.db2.gz ZFKSVZQHIFEJRB-UHFFFAOYSA-N 1 2 355.825 3.854 40 0 FHABLO C[C@H](SCc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000038755648 571086178 /nfs/dbraw/zinc/08/61/78/571086178.db2.gz IZAUDNJHVGQDRI-INIZCTEOSA-N 1 2 351.475 3.810 40 0 FHABLO CCc1cccc(CC)c1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044880070 571103521 /nfs/dbraw/zinc/10/35/21/571103521.db2.gz OQVPOORRLGUJGW-UHFFFAOYSA-N 1 2 352.478 3.896 40 0 FHABLO CCOc1ccccc1CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044909994 571104536 /nfs/dbraw/zinc/10/45/36/571104536.db2.gz VYWMRVSZWGDKGQ-UHFFFAOYSA-N 1 2 363.461 3.693 40 0 FHABLO CCOC(=O)c1ccc(Nc2cc(N)[nH+]c(-c3ccc(F)cc3)n2)cc1 ZINC000049467977 571109532 /nfs/dbraw/zinc/10/95/32/571109532.db2.gz KJRWZNMVYCWZSA-UHFFFAOYSA-N 1 2 352.369 3.785 40 0 FHABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](COCc3cccc(C)n3)C2)s1 ZINC000247873798 571126166 /nfs/dbraw/zinc/12/61/66/571126166.db2.gz MYCZRYYGAVMNEG-LJQANCHMSA-N 1 2 368.506 3.730 40 0 FHABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](COCc3cccc(C)n3)C2)s1 ZINC000247873798 571126167 /nfs/dbraw/zinc/12/61/67/571126167.db2.gz MYCZRYYGAVMNEG-LJQANCHMSA-N 1 2 368.506 3.730 40 0 FHABLO Cc1c2ccccc2oc1C(=O)N1Cc2c[nH+]cn2[C@H](COCC2CC2)C1 ZINC000253599130 571138908 /nfs/dbraw/zinc/13/89/08/571138908.db2.gz MKJGMWRQBZVEAI-KRWDZBQOSA-N 1 2 365.433 3.561 40 0 FHABLO C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@H](c5[nH+]ccn5C)C4)cc3c2C1 ZINC000328780931 571164054 /nfs/dbraw/zinc/16/40/54/571164054.db2.gz MRSMQLAPZWGEIB-ZBFHGGJFSA-N 1 2 362.477 3.656 40 0 FHABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000072350668 571182007 /nfs/dbraw/zinc/18/20/07/571182007.db2.gz HJMDQYOOWPDSTN-QGZVFWFLSA-N 1 2 367.497 3.682 40 0 FHABLO Cc1nc(Nc2nncs2)cc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072360102 571184102 /nfs/dbraw/zinc/18/41/02/571184102.db2.gz CKSAYASFOWJGCB-MRXNPFEDSA-N 1 2 352.467 3.717 40 0 FHABLO Cc1nc(Nc2nncs2)cc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072360102 571184104 /nfs/dbraw/zinc/18/41/04/571184104.db2.gz CKSAYASFOWJGCB-MRXNPFEDSA-N 1 2 352.467 3.717 40 0 FHABLO Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377892 571186851 /nfs/dbraw/zinc/18/68/51/571186851.db2.gz RPGWCKUAICXYKC-INIZCTEOSA-N 1 2 353.451 3.719 40 0 FHABLO Oc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377892 571186852 /nfs/dbraw/zinc/18/68/52/571186852.db2.gz RPGWCKUAICXYKC-INIZCTEOSA-N 1 2 353.451 3.719 40 0 FHABLO C[C@H](c1ccccc1)[N@@H+]1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 ZINC000585112913 571226376 /nfs/dbraw/zinc/22/63/76/571226376.db2.gz WQGBQQBKQGBLIA-HZPDHXFCSA-N 1 2 353.466 3.666 40 0 FHABLO C[C@H](c1ccccc1)[N@H+]1CCc2oc(C(=O)N3CCC[C@@H](C)C3)nc2C1 ZINC000585112913 571226378 /nfs/dbraw/zinc/22/63/78/571226378.db2.gz WQGBQQBKQGBLIA-HZPDHXFCSA-N 1 2 353.466 3.666 40 0 FHABLO Cc1cc(C)cc(CSCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020237964 571304959 /nfs/dbraw/zinc/30/49/59/571304959.db2.gz XTKMHZMKIWEZRE-UHFFFAOYSA-N 1 2 368.546 3.881 40 0 FHABLO Cc1cnc(Nc2cc([C@@H]3CCCCN3Cc3[nH]cc[nH+]3)nc(C)n2)s1 ZINC000257230286 223029766 /nfs/dbraw/zinc/02/97/66/223029766.db2.gz GBOZXOJJRZKJFR-HNNXBMFYSA-N 1 2 369.498 3.744 40 0 FHABLO Cc1cccc(Nc2cc([C@@H]3CCCCN3Cc3[nH]cc[nH+]3)nc(C)n2)n1 ZINC000257272285 223046046 /nfs/dbraw/zinc/04/60/46/223046046.db2.gz NBURXNBHFRYRPR-KRWDZBQOSA-N 1 2 363.469 3.682 40 0 FHABLO Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CC[NH+](Cc3ncc[nH]3)CC1)O2 ZINC000257280698 223048234 /nfs/dbraw/zinc/04/82/34/223048234.db2.gz OLZDQTZBNUIPLW-QFBILLFUSA-N 1 2 373.884 3.958 40 0 FHABLO Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CCN(Cc3[nH]cc[nH+]3)CC1)O2 ZINC000257280698 223048237 /nfs/dbraw/zinc/04/82/37/223048237.db2.gz OLZDQTZBNUIPLW-QFBILLFUSA-N 1 2 373.884 3.958 40 0 FHABLO c1cc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)co1 ZINC000306133387 223109987 /nfs/dbraw/zinc/10/99/87/223109987.db2.gz MKBJMEQWKJTVKH-HXUWFJFHSA-N 1 2 360.417 3.563 40 0 FHABLO c1cc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)co1 ZINC000306133387 223109988 /nfs/dbraw/zinc/10/99/88/223109988.db2.gz MKBJMEQWKJTVKH-HXUWFJFHSA-N 1 2 360.417 3.563 40 0 FHABLO c1ccc(CCNc2cc(-c3ccncc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329023423 223129329 /nfs/dbraw/zinc/12/93/29/223129329.db2.gz OTCUPVBMKGLXOR-UHFFFAOYSA-N 1 2 373.504 3.782 40 0 FHABLO COc1cc2c(cc1OC)[C@H](c1ccccn1)[NH2+][C@H](c1ncccc1C)C2 ZINC000019237841 220243378 /nfs/dbraw/zinc/24/33/78/220243378.db2.gz UAEIJCNWHXMOOY-PGRDOPGGSA-N 1 2 361.445 3.779 40 0 FHABLO O=C(Cn1cc[nH+]c1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000019293006 220246106 /nfs/dbraw/zinc/24/61/06/220246106.db2.gz IZNCKNIPEKGODV-UHFFFAOYSA-N 1 2 367.261 3.876 40 0 FHABLO COc1cccc(C[N@@H+]2CCO[C@@H](c3cc4ccccc4cn3)C2)c1OC ZINC000019568011 220274098 /nfs/dbraw/zinc/27/40/98/220274098.db2.gz COADAJGUGFIRAX-OAQYLSRUSA-N 1 2 364.445 3.826 40 0 FHABLO COc1cccc(C[N@H+]2CCO[C@@H](c3cc4ccccc4cn3)C2)c1OC ZINC000019568011 220274103 /nfs/dbraw/zinc/27/41/03/220274103.db2.gz COADAJGUGFIRAX-OAQYLSRUSA-N 1 2 364.445 3.826 40 0 FHABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000022250811 220381026 /nfs/dbraw/zinc/38/10/26/220381026.db2.gz UEXRMNMGUFYWAY-JXMROGBWSA-N 1 2 364.489 3.865 40 0 FHABLO CCOc1ccc(-c2nc(Nc3ccc(OC)cc3OC)cc(N)[nH+]2)cc1 ZINC000049468117 221023273 /nfs/dbraw/zinc/02/32/73/221023273.db2.gz DQYGUXAPYYAYLJ-UHFFFAOYSA-N 1 2 366.421 3.885 40 0 FHABLO CCn1c2ccccc2nc1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000057823216 221093820 /nfs/dbraw/zinc/09/38/20/221093820.db2.gz QXWPGBNDROWUGQ-UHFFFAOYSA-N 1 2 353.441 3.679 40 0 FHABLO Fc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4cccc(F)c4)C3)C2)cc1 ZINC000096049080 132217273 /nfs/dbraw/zinc/21/72/73/132217273.db2.gz QSMZYSCADJEFLM-OAQYLSRUSA-N 1 2 358.432 3.836 40 0 FHABLO Fc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4cccc(F)c4)C3)C2)cc1 ZINC000096049080 132217275 /nfs/dbraw/zinc/21/72/75/132217275.db2.gz QSMZYSCADJEFLM-OAQYLSRUSA-N 1 2 358.432 3.836 40 0 FHABLO Cc1cc(N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)nc[nH+]1 ZINC000257241452 132295487 /nfs/dbraw/zinc/29/54/87/132295487.db2.gz HYBTZMPOWHPISE-MRXNPFEDSA-N 1 2 352.413 3.887 40 0 FHABLO Cc1nc(N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)cc[nH+]1 ZINC000257237575 132295521 /nfs/dbraw/zinc/29/55/21/132295521.db2.gz HHCNYQVFVRNPCG-MRXNPFEDSA-N 1 2 352.413 3.887 40 0 FHABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3C(C)(C)C)C(C)C)CC2)c1 ZINC000057669714 136129765 /nfs/dbraw/zinc/12/97/65/136129765.db2.gz HVVCJGDXGSMKSX-IBGZPJMESA-N 1 2 370.545 3.564 40 0 FHABLO Cc1ccc(C)c(N2CC[NH+]([C@H](CC(C)C)c3nnnn3C(C)C)CC2)c1 ZINC000057670220 136130096 /nfs/dbraw/zinc/13/00/96/136130096.db2.gz PXKMUKKJRNYWNQ-HXUWFJFHSA-N 1 2 370.545 3.780 40 0 FHABLO CC(C)Nc1nc(N2CCCC2)nc2c1C[N@H+](Cc1ccsc1)CC2 ZINC000096254247 222102209 /nfs/dbraw/zinc/10/22/09/222102209.db2.gz YIUZOPGHFXHUFG-UHFFFAOYSA-N 1 2 357.527 3.517 40 0 FHABLO CC(C)Nc1nc(N2CCCC2)nc2c1C[N@@H+](Cc1ccsc1)CC2 ZINC000096254247 222102212 /nfs/dbraw/zinc/10/22/12/222102212.db2.gz YIUZOPGHFXHUFG-UHFFFAOYSA-N 1 2 357.527 3.517 40 0 FHABLO CC(C)Nc1nc(N2CCCC2)[nH+]c2c1CN(Cc1ccsc1)CC2 ZINC000096254247 222102216 /nfs/dbraw/zinc/10/22/16/222102216.db2.gz YIUZOPGHFXHUFG-UHFFFAOYSA-N 1 2 357.527 3.517 40 0 FHABLO O=C(CC1=CCCCC1)N1Cc2c[nH+]cn2C[C@@H](COCC2CCC2)C1 ZINC000096207752 222077871 /nfs/dbraw/zinc/07/78/71/222077871.db2.gz NJCPVINBRKQAHL-IBGZPJMESA-N 1 2 357.498 3.549 40 0 FHABLO COc1ccc(Cl)cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000021870192 263385167 /nfs/dbraw/zinc/38/51/67/263385167.db2.gz GMVLMTHEOVYJFF-VMPITWQZSA-N 1 2 370.880 3.820 40 0 FHABLO Cc1ccc(-c2cn3c4c(n(C)c3[nH+]2)CCN(Cc2ccccn2)C4)cc1 ZINC000306138260 534193059 /nfs/dbraw/zinc/19/30/59/534193059.db2.gz RTPZRAYTXUYCAE-UHFFFAOYSA-N 1 2 357.461 3.602 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306140210 534877102 /nfs/dbraw/zinc/87/71/02/534877102.db2.gz UNABMRBKHZNBML-MJGOQNOKSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306140210 534877103 /nfs/dbraw/zinc/87/71/03/534877103.db2.gz UNABMRBKHZNBML-MJGOQNOKSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000306144102 534877141 /nfs/dbraw/zinc/87/71/41/534877141.db2.gz YWFDSALJONPVCV-PKOBYXMFSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000306144102 534877143 /nfs/dbraw/zinc/87/71/43/534877143.db2.gz YWFDSALJONPVCV-PKOBYXMFSA-N 1 2 371.483 3.763 40 0 FHABLO CC(C)(C)C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 ZINC000257246172 527684423 /nfs/dbraw/zinc/68/44/23/527684423.db2.gz ISVZNMNVZNGBOV-LJQANCHMSA-N 1 2 361.461 3.590 40 0 FHABLO CC(C)(C)C[N@H+]1CCO[C@@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 ZINC000257246172 527684427 /nfs/dbraw/zinc/68/44/27/527684427.db2.gz ISVZNMNVZNGBOV-LJQANCHMSA-N 1 2 361.461 3.590 40 0 FHABLO CC(C)c1ccc(OCCc2cc([C@H]3C[N@H+](CC4CC4)CCO3)n[nH]2)cc1 ZINC000257224819 528124003 /nfs/dbraw/zinc/12/40/03/528124003.db2.gz FDNCDGRYLLTCBF-JOCHJYFZSA-N 1 2 369.509 3.938 40 0 FHABLO CC(C)c1ccc(OCCc2cc([C@H]3C[N@@H+](CC4CC4)CCO3)n[nH]2)cc1 ZINC000257224819 528124007 /nfs/dbraw/zinc/12/40/07/528124007.db2.gz FDNCDGRYLLTCBF-JOCHJYFZSA-N 1 2 369.509 3.938 40 0 FHABLO CC(C)[C@H](CO)Nc1nc(Nc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329016855 529025574 /nfs/dbraw/zinc/02/55/74/529025574.db2.gz NIXUSFCVQGKTCT-IBGZPJMESA-N 1 2 366.440 3.877 40 0 FHABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](CC(C)(C)C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289442 560032707 /nfs/dbraw/zinc/03/27/07/560032707.db2.gz UJTQJCSAEUAEQI-GJZGRUSLSA-N 1 2 373.497 3.573 40 0 biogenic,in-vitro FHABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](CC(C)(C)C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289442 560032708 /nfs/dbraw/zinc/03/27/08/560032708.db2.gz UJTQJCSAEUAEQI-GJZGRUSLSA-N 1 2 373.497 3.573 40 0 biogenic,in-vitro FHABLO Cc1ccc(S[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000216343974 568118903 /nfs/dbraw/zinc/11/89/03/568118903.db2.gz URQDYQVTQCFGLC-MRXNPFEDSA-N 1 2 351.475 3.978 40 0 FHABLO C[N@H+](CC(=O)c1cccc(I)c1)Cc1ccccc1 ZINC000095935038 570471829 /nfs/dbraw/zinc/47/18/29/570471829.db2.gz CFLFTXIIXSLVEQ-UHFFFAOYSA-N 1 2 365.214 3.606 40 0 FHABLO C[N@@H+](CC(=O)c1cccc(I)c1)Cc1ccccc1 ZINC000095935038 570471834 /nfs/dbraw/zinc/47/18/34/570471834.db2.gz CFLFTXIIXSLVEQ-UHFFFAOYSA-N 1 2 365.214 3.606 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(NC3CCC3)[nH+]c2)cc1 ZINC000072213847 570529475 /nfs/dbraw/zinc/52/94/75/570529475.db2.gz OFVCZJRNJYJXCA-LJQANCHMSA-N 1 2 371.506 3.880 40 0 FHABLO Cc1cc(N2CCCCC2)[nH+]cc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072219204 570534353 /nfs/dbraw/zinc/53/43/53/570534353.db2.gz DZYWWRAVPCLRRC-UHFFFAOYSA-N 1 2 361.486 3.868 40 0 FHABLO Cc1csc([C@H](Cc2cccs2)NC(=O)CCCn2cc[nH+]c2)n1 ZINC000012087877 570717606 /nfs/dbraw/zinc/71/76/06/570717606.db2.gz WEUQIZYQXLPAQS-HNNXBMFYSA-N 1 2 360.508 3.590 40 0 FHABLO COc1cc(OC)c([C@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1OC ZINC000012188533 570725421 /nfs/dbraw/zinc/72/54/21/570725421.db2.gz KHFHNYOSSMLERM-IBGZPJMESA-N 1 2 373.840 3.552 40 0 FHABLO CCc1c(C)nc2cc(-c3ccco3)nn2c1NCCCn1cc[nH+]c1 ZINC000012221272 570729039 /nfs/dbraw/zinc/72/90/39/570729039.db2.gz OKIXRBPOMURUPU-UHFFFAOYSA-N 1 2 350.426 3.559 40 0 FHABLO O=C(CCSCc1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000030856068 571051273 /nfs/dbraw/zinc/05/12/73/571051273.db2.gz GBIOWGGEJFVPFB-UHFFFAOYSA-N 1 2 351.475 3.812 40 0 FHABLO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000030871116 571052290 /nfs/dbraw/zinc/05/22/90/571052290.db2.gz NMCXRJPOEFXFHN-FQEVSTJZSA-N 1 2 363.461 3.963 40 0 FHABLO Cc1cc(C)cc(C[N@H+]2Cc3cncn3[C@@H](COCC3CCOCC3)C2)c1 ZINC000247913033 571126078 /nfs/dbraw/zinc/12/60/78/571126078.db2.gz LQFZEOCZDTZSJS-JOCHJYFZSA-N 1 2 369.509 3.500 40 0 FHABLO Cc1cc(C)cc(C[N@@H+]2Cc3cncn3[C@@H](COCC3CCOCC3)C2)c1 ZINC000247913033 571126079 /nfs/dbraw/zinc/12/60/79/571126079.db2.gz LQFZEOCZDTZSJS-JOCHJYFZSA-N 1 2 369.509 3.500 40 0 FHABLO Cc1cc(C)cc(CN2Cc3c[nH+]cn3[C@@H](COCC3CCOCC3)C2)c1 ZINC000247913033 571126080 /nfs/dbraw/zinc/12/60/80/571126080.db2.gz LQFZEOCZDTZSJS-JOCHJYFZSA-N 1 2 369.509 3.500 40 0 FHABLO Cc1ccsc1C[N@@H+]1Cc2cncn2[C@H](COCc2csc(C)n2)C1 ZINC000248038910 571127396 /nfs/dbraw/zinc/12/73/96/571127396.db2.gz OGEKYLZNBZCDMW-KRWDZBQOSA-N 1 2 374.535 3.792 40 0 FHABLO Cc1ccsc1C[N@H+]1Cc2cncn2[C@H](COCc2csc(C)n2)C1 ZINC000248038910 571127398 /nfs/dbraw/zinc/12/73/98/571127398.db2.gz OGEKYLZNBZCDMW-KRWDZBQOSA-N 1 2 374.535 3.792 40 0 FHABLO Cc1ccsc1CN1Cc2c[nH+]cn2[C@H](COCc2csc(C)n2)C1 ZINC000248038910 571127403 /nfs/dbraw/zinc/12/74/03/571127403.db2.gz OGEKYLZNBZCDMW-KRWDZBQOSA-N 1 2 374.535 3.792 40 0 FHABLO c1csc(Nc2nccc([C@@H]3CCCC[N@H+]3Cc3cccnc3)n2)n1 ZINC000072377650 571186492 /nfs/dbraw/zinc/18/64/92/571186492.db2.gz OALCCQIWKPEIMH-INIZCTEOSA-N 1 2 352.467 3.799 40 0 FHABLO c1csc(Nc2nccc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)n2)n1 ZINC000072377650 571186496 /nfs/dbraw/zinc/18/64/96/571186496.db2.gz OALCCQIWKPEIMH-INIZCTEOSA-N 1 2 352.467 3.799 40 0 FHABLO O=C(NC1CCCC1)c1cc([C@H]2CCCC[N@@H+]2CCc2ccccc2)[nH]n1 ZINC000072380536 571188078 /nfs/dbraw/zinc/18/80/78/571188078.db2.gz QZXBZTLECWIKNS-OAQYLSRUSA-N 1 2 366.509 3.852 40 0 FHABLO O=C(NC1CCCC1)c1cc([C@H]2CCCC[N@H+]2CCc2ccccc2)[nH]n1 ZINC000072380536 571188081 /nfs/dbraw/zinc/18/80/81/571188081.db2.gz QZXBZTLECWIKNS-OAQYLSRUSA-N 1 2 366.509 3.852 40 0 FHABLO O=C(NC1CCCC1)c1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)n[nH]1 ZINC000072380492 571188120 /nfs/dbraw/zinc/18/81/20/571188120.db2.gz LARPRCYYKBBJQR-HXUWFJFHSA-N 1 2 352.482 3.809 40 0 FHABLO O=C(NC1CCCC1)c1cc([C@H]2CCCC[N@H+]2Cc2ccccc2)n[nH]1 ZINC000072380492 571188121 /nfs/dbraw/zinc/18/81/21/571188121.db2.gz LARPRCYYKBBJQR-HXUWFJFHSA-N 1 2 352.482 3.809 40 0 FHABLO O=C(NC1CCCC1)c1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)[nH]n1 ZINC000072380492 571188122 /nfs/dbraw/zinc/18/81/22/571188122.db2.gz LARPRCYYKBBJQR-HXUWFJFHSA-N 1 2 352.482 3.809 40 0 FHABLO O=C(NC1CCCC1)c1cc([C@H]2CCCC[N@H+]2Cc2ccccc2)[nH]n1 ZINC000072380492 571188123 /nfs/dbraw/zinc/18/81/23/571188123.db2.gz LARPRCYYKBBJQR-HXUWFJFHSA-N 1 2 352.482 3.809 40 0 FHABLO CCc1cc(CNc2cc(CCn3ncc4ccccc43)[nH+]c(C)n2)on1 ZINC000072391836 571189910 /nfs/dbraw/zinc/18/99/10/571189910.db2.gz SRGMQGAUVJMUBK-UHFFFAOYSA-N 1 2 362.437 3.540 40 0 FHABLO Cc1[nH+]c2cc(NC(=O)CC[C@H]3CCC(=O)N3)ccc2n1C1CCCCC1 ZINC000072391810 571189961 /nfs/dbraw/zinc/18/99/61/571189961.db2.gz RJUFDQWZWRAWKC-OAHLLOKOSA-N 1 2 368.481 3.847 40 0 FHABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2cccc(C)n2)CCO3)cc1 ZINC000585103242 571223513 /nfs/dbraw/zinc/22/35/13/571223513.db2.gz AJBWWCWSUOVSTO-OAQYLSRUSA-N 1 2 352.478 3.649 40 0 FHABLO Fc1ccc(C[N@@H+](Cc2ccnn2[C@H]2CCCCO2)C[C@H]2CCCO2)cc1 ZINC000247562694 571290792 /nfs/dbraw/zinc/29/07/92/571290792.db2.gz ZHMOEUXCENPZSA-NHCUHLMSSA-N 1 2 373.472 3.903 40 0 FHABLO Fc1ccc(C[N@H+](Cc2ccnn2[C@H]2CCCCO2)C[C@H]2CCCO2)cc1 ZINC000247562694 571290793 /nfs/dbraw/zinc/29/07/93/571290793.db2.gz ZHMOEUXCENPZSA-NHCUHLMSSA-N 1 2 373.472 3.903 40 0 FHABLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)cn1 ZINC000019692426 571304271 /nfs/dbraw/zinc/30/42/71/571304271.db2.gz NMSXYPCYLUVBAG-FQEVSTJZSA-N 1 2 368.868 3.709 40 0 FHABLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)cn1 ZINC000019692426 571304273 /nfs/dbraw/zinc/30/42/73/571304273.db2.gz NMSXYPCYLUVBAG-FQEVSTJZSA-N 1 2 368.868 3.709 40 0 FHABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2CC ZINC000261362025 571323382 /nfs/dbraw/zinc/32/33/82/571323382.db2.gz BVCNRYVDMKOZIS-MRXNPFEDSA-O 1 2 373.502 3.694 40 0 FHABLO COc1ccc([C@H]([NH3+])c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC ZINC000095533883 571331457 /nfs/dbraw/zinc/33/14/57/571331457.db2.gz INYNGQWQOSXUFT-SFHVURJKSA-N 1 2 366.465 3.835 40 0 FHABLO CCCCCC(=O)Nc1ccc(C(=O)CSc2nc(N)cc(C)[nH+]2)cc1 ZINC000028616813 571340051 /nfs/dbraw/zinc/34/00/51/571340051.db2.gz YSWDDKWHBPPPMZ-UHFFFAOYSA-N 1 2 372.494 3.861 40 0 FHABLO CNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328979225 529833118 /nfs/dbraw/zinc/83/31/18/529833118.db2.gz GFGQREXBNXMYNA-UHFFFAOYSA-N 1 2 373.229 3.674 40 0 FHABLO CNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329049573 529833902 /nfs/dbraw/zinc/83/39/02/529833902.db2.gz UQJZHANECSIVSY-UHFFFAOYSA-N 1 2 358.751 3.535 40 0 FHABLO O=C(c1nccc2ccccc21)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257204645 223018154 /nfs/dbraw/zinc/01/81/54/223018154.db2.gz AVSHQKCPLNWQEU-IBGZPJMESA-N 1 2 354.413 3.829 40 0 FHABLO Cc1csc(Nc2cc([C@@H]3CCCC[N@@H+]3Cc3cc[nH]n3)nc(C)n2)n1 ZINC000257204275 223018301 /nfs/dbraw/zinc/01/83/01/223018301.db2.gz ATUDMOXMISEJNS-INIZCTEOSA-N 1 2 369.498 3.744 40 0 FHABLO Cc1csc(Nc2cc([C@@H]3CCCC[N@H+]3Cc3cc[nH]n3)nc(C)n2)n1 ZINC000257204275 223018302 /nfs/dbraw/zinc/01/83/02/223018302.db2.gz ATUDMOXMISEJNS-INIZCTEOSA-N 1 2 369.498 3.744 40 0 FHABLO COc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NC(C)(C)C)n1 ZINC000328970866 223126368 /nfs/dbraw/zinc/12/63/68/223126368.db2.gz DNAXTGHAISYYKQ-UHFFFAOYSA-N 1 2 363.465 3.792 40 0 FHABLO Cc1csc([C@H](Cc2ccsc2)NC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC000019240150 220243800 /nfs/dbraw/zinc/24/38/00/220243800.db2.gz LDHCAHWORXONSH-HIFRSBDPSA-N 1 2 360.508 3.761 40 0 FHABLO Fc1ccccc1C[N@@H+](Cc1[nH]nnc1-c1ccccc1)C[C@@H]1CCCO1 ZINC000019373945 220254807 /nfs/dbraw/zinc/25/48/07/220254807.db2.gz MWYRZDNDEIJORY-SFHVURJKSA-N 1 2 366.440 3.792 40 0 FHABLO Fc1ccccc1C[N@H+](Cc1[nH]nnc1-c1ccccc1)C[C@@H]1CCCO1 ZINC000019373945 220254810 /nfs/dbraw/zinc/25/48/10/220254810.db2.gz MWYRZDNDEIJORY-SFHVURJKSA-N 1 2 366.440 3.792 40 0 FHABLO Cc1nc(C)c(C(=O)N2CCC[C@@H](c3[nH+]c(C)n4ccsc34)C2)s1 ZINC000019560022 220270214 /nfs/dbraw/zinc/27/02/14/220270214.db2.gz WILMQEZGFIOKSO-CYBMUJFWSA-N 1 2 360.508 3.797 40 0 FHABLO Cc1c(-c2cccc(Cl)c2)nn2c1[nH]c([C@@H](C)n1cc[nH+]c1)cc2=O ZINC000019557372 220271237 /nfs/dbraw/zinc/27/12/37/220271237.db2.gz JUEHAKHKNQMDOH-GFCCVEGCSA-N 1 2 353.813 3.870 40 0 FHABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cc4ccccc4cn3)C2)c(OC)c1 ZINC000019552457 220271627 /nfs/dbraw/zinc/27/16/27/220271627.db2.gz OZIJDXYHMKGZSF-JOCHJYFZSA-N 1 2 364.445 3.826 40 0 FHABLO COc1ccc(C[N@H+]2CCO[C@@H](c3cc4ccccc4cn3)C2)c(OC)c1 ZINC000019552457 220271631 /nfs/dbraw/zinc/27/16/31/220271631.db2.gz OZIJDXYHMKGZSF-JOCHJYFZSA-N 1 2 364.445 3.826 40 0 FHABLO CSc1ccccc1Nc1cc(C2CC2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329039640 533044948 /nfs/dbraw/zinc/04/49/48/533044948.db2.gz RXYDVRFRVLDQPH-INIZCTEOSA-N 1 2 358.511 3.670 40 0 FHABLO Cc1nc2ccccc2n1Cc1cc(NCc2ccc(CO)cc2)nc(C)[nH+]1 ZINC000019655691 220281477 /nfs/dbraw/zinc/28/14/77/220281477.db2.gz XGNRHLXFVIEVHG-UHFFFAOYSA-N 1 2 373.460 3.596 40 0 FHABLO Cn1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)c2ccccc2c1=O ZINC000019663652 220283560 /nfs/dbraw/zinc/28/35/60/220283560.db2.gz VBZFFXSDGNOBNZ-UHFFFAOYSA-N 1 2 374.444 3.965 40 0 FHABLO Nc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C[NH+]1CCOCC1 ZINC000020506703 220331991 /nfs/dbraw/zinc/33/19/91/220331991.db2.gz JWULVNPALNKMKT-UHFFFAOYSA-N 1 2 353.853 3.970 40 0 FHABLO COc1ccc(-c2nc(Nc3cccc(C(C)=O)c3)cc(N)[nH+]2)cc1OC ZINC000049468208 221022990 /nfs/dbraw/zinc/02/29/90/221022990.db2.gz MIOFBHYWUSQYKY-UHFFFAOYSA-N 1 2 364.405 3.689 40 0 FHABLO COc1ccc(-c2nc(N)cc(Nc3cccc(C(C)=O)c3)[nH+]2)cc1OC ZINC000049468208 221022992 /nfs/dbraw/zinc/02/29/92/221022992.db2.gz MIOFBHYWUSQYKY-UHFFFAOYSA-N 1 2 364.405 3.689 40 0 FHABLO Oc1cccc(-c2cc(CC3([NH2+]Cc4ccccc4Cl)COC3)no2)c1 ZINC000067898298 221303075 /nfs/dbraw/zinc/30/30/75/221303075.db2.gz SNCUHXRXWJTPQS-UHFFFAOYSA-N 1 2 370.836 3.802 40 0 biogenic,in-vitro FHABLO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068368472 221315448 /nfs/dbraw/zinc/31/54/48/221315448.db2.gz YNRDNVNFJNUIGO-UHFFFAOYSA-N 1 2 364.367 3.790 40 0 FHABLO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]cn1)C2 ZINC000328970752 132372061 /nfs/dbraw/zinc/37/20/61/132372061.db2.gz DLZPYWCMIXWWBW-UHFFFAOYSA-N 1 2 366.465 3.571 40 0 FHABLO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc[nH+]1)C2 ZINC000328970752 132372062 /nfs/dbraw/zinc/37/20/62/132372062.db2.gz DLZPYWCMIXWWBW-UHFFFAOYSA-N 1 2 366.465 3.571 40 0 FHABLO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CC3)[nH+]cn1)CC2 ZINC000329071454 132373325 /nfs/dbraw/zinc/37/33/25/132373325.db2.gz ZQAWDOJGPXEASA-UHFFFAOYSA-N 1 2 350.344 3.512 40 0 FHABLO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CC3)nc[nH+]1)CC2 ZINC000329071454 132373326 /nfs/dbraw/zinc/37/33/26/132373326.db2.gz ZQAWDOJGPXEASA-UHFFFAOYSA-N 1 2 350.344 3.512 40 0 FHABLO CCC[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057669485 136129674 /nfs/dbraw/zinc/12/96/74/136129674.db2.gz PULVIYOUVIFTLF-FQEVSTJZSA-N 1 2 368.529 3.842 40 0 FHABLO CC[C@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669546 136129748 /nfs/dbraw/zinc/12/97/48/136129748.db2.gz MFBJMXPLOUBIIG-LJQANCHMSA-N 1 2 368.529 3.678 40 0 FHABLO Cc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCc3ccccc3)C2)s1 ZINC000096060807 222007086 /nfs/dbraw/zinc/00/70/86/222007086.db2.gz LZTOXIRCGMVWOK-QGZVFWFLSA-N 1 2 368.506 3.501 40 0 FHABLO Cc1ccc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCc3ccccc3)C2)s1 ZINC000096060807 222007088 /nfs/dbraw/zinc/00/70/88/222007088.db2.gz LZTOXIRCGMVWOK-QGZVFWFLSA-N 1 2 368.506 3.501 40 0 FHABLO Cc1c(Br)cccc1Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329030772 533711632 /nfs/dbraw/zinc/71/16/32/533711632.db2.gz QGHWUKFWQSVHSD-UHFFFAOYSA-N 1 2 361.287 3.833 40 0 FHABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)cc1F ZINC000328982888 534025404 /nfs/dbraw/zinc/02/54/04/534025404.db2.gz HDILKZUKPKRODO-UHFFFAOYSA-N 1 2 352.413 3.699 40 0 FHABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1OC ZINC000329030811 534025838 /nfs/dbraw/zinc/02/58/38/534025838.db2.gz QGWBTAIUPCBJBY-UHFFFAOYSA-N 1 2 368.481 3.703 40 0 FHABLO COc1ccccc1Cc1cnc([C@H]2CCCN2c2cc[nH+]c(C)n2)o1 ZINC000257242287 534126103 /nfs/dbraw/zinc/12/61/03/534126103.db2.gz IBUBSGGEWSURQP-QGZVFWFLSA-N 1 2 350.422 3.714 40 0 FHABLO CCNc1nc(Nc2cc(Cl)ccc2OC)cc(-c2ccccc2)[nH+]1 ZINC000329065096 527996182 /nfs/dbraw/zinc/99/61/82/527996182.db2.gz XPJGAUSVJDAMJQ-UHFFFAOYSA-N 1 2 354.841 3.825 40 0 FHABLO CC(C)CNc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)C3CCC3)C2)cc[nH+]1 ZINC000257224626 528067747 /nfs/dbraw/zinc/06/77/47/528067747.db2.gz FCPJONQGWWWFHE-KRWDZBQOSA-N 1 2 367.497 3.656 40 0 FHABLO Cc1ccc2[nH]c(C[C@H]3C[N@H+](CC(C)(C)C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289650 560031969 /nfs/dbraw/zinc/03/19/69/560031969.db2.gz XUNHAKQKGUYQBJ-HOTGVXAUSA-N 1 2 357.498 3.873 40 0 biogenic,in-vitro FHABLO Cc1ccc2[nH]c(C[C@H]3C[N@@H+](CC(C)(C)C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289650 560031970 /nfs/dbraw/zinc/03/19/70/560031970.db2.gz XUNHAKQKGUYQBJ-HOTGVXAUSA-N 1 2 357.498 3.873 40 0 biogenic,in-vitro FHABLO C/C=C1/C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000033955640 560087678 /nfs/dbraw/zinc/08/76/78/560087678.db2.gz VAMJZLUOKJRHOW-XEASWFAXSA-N 1 2 366.461 3.737 40 0 biogenic,in-vitro FHABLO C/C=C1/C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000033955640 560087679 /nfs/dbraw/zinc/08/76/79/560087679.db2.gz VAMJZLUOKJRHOW-XEASWFAXSA-N 1 2 366.461 3.737 40 0 biogenic,in-vitro FHABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(NCC(C)C)[nH+]c2)cc1 ZINC000072213323 570528414 /nfs/dbraw/zinc/52/84/14/570528414.db2.gz XVXPWZRVDFQIKS-LJQANCHMSA-N 1 2 373.522 3.984 40 0 FHABLO CCCNc1[nH+]cccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213144 570528759 /nfs/dbraw/zinc/52/87/59/570528759.db2.gz MASZKNHNSVTUNI-GOSISDBHSA-N 1 2 359.495 3.738 40 0 FHABLO Cc1[nH+]c(N2CCCCC2)ccc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072219264 570534332 /nfs/dbraw/zinc/53/43/32/570534332.db2.gz AXYGPICFRSBSHR-UHFFFAOYSA-N 1 2 361.486 3.868 40 0 FHABLO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000004966653 570675498 /nfs/dbraw/zinc/67/54/98/570675498.db2.gz DCUPORNJERTEOV-UHFFFAOYSA-N 1 2 350.462 3.837 40 0 FHABLO C[C@@H]1CN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3)n2)C[C@@H](C)O1 ZINC000012221176 570728985 /nfs/dbraw/zinc/72/89/85/570728985.db2.gz LZJCDBPMPHZWCU-CHWSQXEVSA-N 1 2 369.856 3.801 40 0 FHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccc(C(C)C)cc1 ZINC000027232984 570974358 /nfs/dbraw/zinc/97/43/58/570974358.db2.gz WOFKYTJSQZAJSG-GOSISDBHSA-O 1 2 365.482 3.954 40 0 FHABLO C[C@H]1Cc2ccccc2N1CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225586498 571047427 /nfs/dbraw/zinc/04/74/27/571047427.db2.gz XRSYTDHFDSNGFU-SFHVURJKSA-N 1 2 374.488 3.503 40 0 FHABLO COc1ccc(S[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000030873590 571052213 /nfs/dbraw/zinc/05/22/13/571052213.db2.gz QSVRMCOPMUVREH-QGZVFWFLSA-N 1 2 370.518 3.520 40 0 FHABLO Cc1cccc(CSCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000038851666 571088153 /nfs/dbraw/zinc/08/81/53/571088153.db2.gz ZICFZBWYAQXLEE-UHFFFAOYSA-N 1 2 365.502 3.903 40 0 FHABLO Cc1ccc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000044847337 571102843 /nfs/dbraw/zinc/10/28/43/571102843.db2.gz QRUBSSSVQFDNRK-GOSISDBHSA-N 1 2 352.478 3.627 40 0 FHABLO O=C(NCCCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000044906421 571104525 /nfs/dbraw/zinc/10/45/25/571104525.db2.gz QNGWNQCMQCXRQS-UHFFFAOYSA-N 1 2 372.896 3.535 40 0 FHABLO CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC(C)C)n1 ZINC000329061305 571109097 /nfs/dbraw/zinc/10/90/97/571109097.db2.gz WQZNIVPURIIUDL-UHFFFAOYSA-N 1 2 354.376 3.527 40 0 FHABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@@H](CCOCc2cccnc2)C1 ZINC000253599778 571138898 /nfs/dbraw/zinc/13/88/98/571138898.db2.gz UJJBWBTUCDTATA-IBGZPJMESA-N 1 2 368.506 3.812 40 0 FHABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@@H](CCOCc2cccnc2)C1 ZINC000253599778 571138899 /nfs/dbraw/zinc/13/88/99/571138899.db2.gz UJJBWBTUCDTATA-IBGZPJMESA-N 1 2 368.506 3.812 40 0 FHABLO C[C@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@@H](c5[nH+]ccn5C)C4)cc3c2C1 ZINC000328780928 571164091 /nfs/dbraw/zinc/16/40/91/571164091.db2.gz MRSMQLAPZWGEIB-GOEBONIOSA-N 1 2 362.477 3.656 40 0 FHABLO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000019455502 571304021 /nfs/dbraw/zinc/30/40/21/571304021.db2.gz INXUSRUAMUXTRN-UFTMSNCASA-N 1 2 367.493 3.931 40 0 FHABLO O=C(CSCc1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020238024 571304981 /nfs/dbraw/zinc/30/49/81/571304981.db2.gz ODVSELGHBKMFIH-UHFFFAOYSA-N 1 2 374.937 3.918 40 0 FHABLO CCOc1ccc(-c2n[nH]c([C@H]([NH3+])Cc3ccccc3)n2)cc1OCC ZINC000095534936 571331353 /nfs/dbraw/zinc/33/13/53/571331353.db2.gz KSZCRRSTDICFDG-MRXNPFEDSA-N 1 2 352.438 3.512 40 0 FHABLO CCOc1ccc(-c2nnc([C@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc1OCC ZINC000095534058 571331393 /nfs/dbraw/zinc/33/13/93/571331393.db2.gz UZHDIGATXHLWMR-QGZVFWFLSA-N 1 2 372.856 3.971 40 0 FHABLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000001336363 219395995 /nfs/dbraw/zinc/39/59/95/219395995.db2.gz JYGTVKHRZKVGBO-UHFFFAOYSA-N 1 2 368.452 3.976 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257217145 223023659 /nfs/dbraw/zinc/02/36/59/223023659.db2.gz CXRUSYSLEFLTRC-MRXNPFEDSA-N 1 2 352.442 3.507 40 0 FHABLO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCCC[N@@H+]3Cc3cncs3)n2)n1 ZINC000257234590 223030816 /nfs/dbraw/zinc/03/08/16/223030816.db2.gz GUGODNIOSLXOER-INIZCTEOSA-N 1 2 354.483 3.667 40 0 FHABLO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCCC[N@H+]3Cc3cncs3)n2)n1 ZINC000257234590 223030821 /nfs/dbraw/zinc/03/08/21/223030821.db2.gz GUGODNIOSLXOER-INIZCTEOSA-N 1 2 354.483 3.667 40 0 FHABLO O=c1[nH]cc(-c2ccc(F)cc2)cc1CNc1ccccc1-n1cc[nH+]c1 ZINC000012143340 219958990 /nfs/dbraw/zinc/95/89/90/219958990.db2.gz OZXJJCAMWBYHEV-UHFFFAOYSA-N 1 2 360.392 3.979 40 0 FHABLO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)cc(OC)c1OC ZINC000019291053 220245619 /nfs/dbraw/zinc/24/56/19/220245619.db2.gz VVLTXXOMVKPYMH-QGZVFWFLSA-N 1 2 359.470 3.563 40 0 FHABLO COc1cc(C[N@H+]2CCCCC[C@@H]2c2ccn(C)n2)cc(OC)c1OC ZINC000019291053 220245621 /nfs/dbraw/zinc/24/56/21/220245621.db2.gz VVLTXXOMVKPYMH-QGZVFWFLSA-N 1 2 359.470 3.563 40 0 FHABLO COc1cc2c(cc1OC)C13CC[NH+](CC1)[C@H](c1cccs1)N3CC2 ZINC000019550708 220271317 /nfs/dbraw/zinc/27/13/17/220271317.db2.gz SAQBNOYAUUGCPJ-IBGZPJMESA-N 1 2 356.491 3.627 40 0 FHABLO COc1cc2c(cc1OC)C13CC[NH+](CC1)[C@@H](c1cccs1)N3CC2 ZINC000019550710 220271456 /nfs/dbraw/zinc/27/14/56/220271456.db2.gz SAQBNOYAUUGCPJ-LJQANCHMSA-N 1 2 356.491 3.627 40 0 FHABLO COc1ccccc1C[N@@H+]1CCO[C@@H](c2cc3cc(F)ccc3cn2)C1 ZINC000019570522 220273321 /nfs/dbraw/zinc/27/33/21/220273321.db2.gz BWUPXDBCPXGFIW-OAQYLSRUSA-N 1 2 352.409 3.956 40 0 FHABLO COc1ccccc1C[N@H+]1CCO[C@@H](c2cc3cc(F)ccc3cn2)C1 ZINC000019570522 220273326 /nfs/dbraw/zinc/27/33/26/220273326.db2.gz BWUPXDBCPXGFIW-OAQYLSRUSA-N 1 2 352.409 3.956 40 0 FHABLO COc1ccc(C[N@@H+]2CCO[C@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000019561129 220274217 /nfs/dbraw/zinc/27/42/17/220274217.db2.gz SNNXESBSKGADHL-QFIPXVFZSA-N 1 2 364.445 3.826 40 0 FHABLO COc1ccc(C[N@H+]2CCO[C@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000019561129 220274221 /nfs/dbraw/zinc/27/42/21/220274221.db2.gz SNNXESBSKGADHL-QFIPXVFZSA-N 1 2 364.445 3.826 40 0 FHABLO CSc1cccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)c1 ZINC000329023530 533019336 /nfs/dbraw/zinc/01/93/36/533019336.db2.gz OURFSDSNZPPGEY-QGZVFWFLSA-N 1 2 358.511 3.670 40 0 FHABLO CCn1cc(-c2c[nH+]cn2CC2(c3ccc(C)cc3)CCOCC2)cn1 ZINC000019719597 220291894 /nfs/dbraw/zinc/29/18/94/220291894.db2.gz GDTXETPKGMNXHK-UHFFFAOYSA-N 1 2 350.466 3.823 40 0 FHABLO CCn1c(C)[nH+]c2cc(NC(=O)CC3CCN(C(=O)C(C)C)CC3)ccc21 ZINC000019748171 220293331 /nfs/dbraw/zinc/29/33/31/220293331.db2.gz DMUGREJPJDGQCX-UHFFFAOYSA-N 1 2 370.497 3.588 40 0 FHABLO O[C@@](/C=C/c1ccc(Br)cc1)(Cn1cc[nH+]c1)c1ccccn1 ZINC000022115067 220376873 /nfs/dbraw/zinc/37/68/73/220376873.db2.gz HWVCWHYWRZUVID-BLGFXRMMSA-N 1 2 370.250 3.642 40 0 FHABLO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C)cc1 ZINC000044935878 220964904 /nfs/dbraw/zinc/96/49/04/220964904.db2.gz RJTDTPLJGMLMCL-OAQYLSRUSA-N 1 2 352.478 3.708 40 0 FHABLO CCOc1ccccc1Nc1cc(N)[nH+]c(-c2ccc(OC)c(OC)c2)n1 ZINC000049468216 221023423 /nfs/dbraw/zinc/02/34/23/221023423.db2.gz CEIPODOTLAXPMJ-UHFFFAOYSA-N 1 2 366.421 3.885 40 0 FHABLO O=C(NCC[N@H+](Cc1ccsc1)Cc1ccccn1)c1cccs1 ZINC000057797306 221093947 /nfs/dbraw/zinc/09/39/47/221093947.db2.gz BVDKRUSVQCEPRV-UHFFFAOYSA-N 1 2 357.504 3.637 40 0 FHABLO O=C(NCC[N@@H+](Cc1ccsc1)Cc1ccccn1)c1cccs1 ZINC000057797306 221093950 /nfs/dbraw/zinc/09/39/50/221093950.db2.gz BVDKRUSVQCEPRV-UHFFFAOYSA-N 1 2 357.504 3.637 40 0 FHABLO COc1ccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c(OC)c1 ZINC000219849872 132274731 /nfs/dbraw/zinc/27/47/31/132274731.db2.gz ZRFPBUQNPDOHSI-UHFFFAOYSA-N 1 2 354.450 3.867 40 0 FHABLO Nc1ccc([NH+]2CCC(Cc3ccccc3)CC2)c(C(=O)N2CCCC2)c1 ZINC000004754216 132824501 /nfs/dbraw/zinc/82/45/01/132824501.db2.gz AYZCZYNLSWJAHH-UHFFFAOYSA-N 1 2 363.505 3.964 40 0 FHABLO Cc1cccc(N2CC[NH+]([C@H](c3nnnn3C(C)(C)C)C(C)C)CC2)c1C ZINC000057669695 136129761 /nfs/dbraw/zinc/12/97/61/136129761.db2.gz OXMUYDMVFVWFMZ-IBGZPJMESA-N 1 2 370.545 3.564 40 0 FHABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057669870 136129891 /nfs/dbraw/zinc/12/98/91/136129891.db2.gz ZUUNIVVVGZTWAM-SFHVURJKSA-N 1 2 374.508 3.621 40 0 FHABLO COc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cc1 ZINC000096112087 222029937 /nfs/dbraw/zinc/02/99/37/222029937.db2.gz CTSMAVLYJNXCMS-APWZRJJASA-N 1 2 356.397 3.576 40 0 biogenic,in-vitro FHABLO COc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cc1 ZINC000096112087 222029938 /nfs/dbraw/zinc/02/99/38/222029938.db2.gz CTSMAVLYJNXCMS-APWZRJJASA-N 1 2 356.397 3.576 40 0 biogenic,in-vitro FHABLO COc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329068667 533867345 /nfs/dbraw/zinc/86/73/45/533867345.db2.gz YRQYSEAUOQPRSE-UHFFFAOYSA-N 1 2 358.873 3.958 40 0 FHABLO c1ccc(-c2cc(NCCc3ccncc3)nc(NC3CCCCC3)[nH+]2)cc1 ZINC000328961056 534479625 /nfs/dbraw/zinc/47/96/25/534479625.db2.gz BARGCQZCDDTYTL-UHFFFAOYSA-N 1 2 373.504 3.782 40 0 FHABLO Cc1[nH+]cc(-c2cc(C)nc([C@H]3CCCCN3C(=O)C(C)(C)C)n2)n1C ZINC000257232846 534720064 /nfs/dbraw/zinc/72/00/64/534720064.db2.gz GMRCEUNZRLFEGV-MRXNPFEDSA-N 1 2 355.486 3.594 40 0 FHABLO COc1ccc(S[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020048722 525110757 /nfs/dbraw/zinc/11/07/57/525110757.db2.gz NQMFIAPAAAUCME-OAHLLOKOSA-N 1 2 367.474 3.678 40 0 FHABLO CCNc1nc(Nc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000329029263 527996576 /nfs/dbraw/zinc/99/65/76/527996576.db2.gz PYMHEAGZUVXFDP-UHFFFAOYSA-N 1 2 369.266 3.925 40 0 FHABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329016842 528483194 /nfs/dbraw/zinc/48/31/94/528483194.db2.gz NIRHLEVBHYQDTA-MRXNPFEDSA-N 1 2 364.852 3.741 40 0 FHABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329016841 529025071 /nfs/dbraw/zinc/02/50/71/529025071.db2.gz NIRHLEVBHYQDTA-INIZCTEOSA-N 1 2 364.852 3.741 40 0 FHABLO CC(C)Nc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329056594 529113234 /nfs/dbraw/zinc/11/32/34/529113234.db2.gz VSIAAASRMVRQNS-UHFFFAOYSA-N 1 2 365.250 3.663 40 0 FHABLO CC(C)Nc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329049016 529113973 /nfs/dbraw/zinc/11/39/73/529113973.db2.gz ULSJRERSAKPMEX-UHFFFAOYSA-N 1 2 365.250 3.663 40 0 FHABLO CCC[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670137 535723070 /nfs/dbraw/zinc/72/30/70/535723070.db2.gz VQJBBMSPYQWNDO-LJQANCHMSA-N 1 2 356.518 3.534 40 0 FHABLO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000216448177 568123736 /nfs/dbraw/zinc/12/37/36/568123736.db2.gz RABFTYNQWUZIOW-CQSZACIVSA-N 1 2 355.825 3.609 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc[nH+]c2N2CCCC2)cc1 ZINC000072215992 570533577 /nfs/dbraw/zinc/53/35/77/570533577.db2.gz IMCVHJUIGVZIQO-IBGZPJMESA-N 1 2 371.506 3.516 40 0 FHABLO Cc1cc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]c1N1CCOCC1 ZINC000072219377 570534945 /nfs/dbraw/zinc/53/49/45/570534945.db2.gz YHIRVGCMNKANKL-HXUWFJFHSA-N 1 2 365.477 3.594 40 0 FHABLO Cc1sc2[nH]c([C@H](C)[N@@H+]3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)nc(=O)c2c1C ZINC000329939747 570665326 /nfs/dbraw/zinc/66/53/26/570665326.db2.gz FVVYZAYQDVVNLG-HVTMNAMFSA-N 1 2 360.483 3.711 40 0 FHABLO Cc1sc2[nH]c([C@H](C)[N@H+]3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)nc(=O)c2c1C ZINC000329939747 570665328 /nfs/dbraw/zinc/66/53/28/570665328.db2.gz FVVYZAYQDVVNLG-HVTMNAMFSA-N 1 2 360.483 3.711 40 0 FHABLO Cn1cc[nH+]c1[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000012115020 570719241 /nfs/dbraw/zinc/71/92/41/570719241.db2.gz HFDUKVMTRNBPAW-GOSISDBHSA-N 1 2 367.399 3.636 40 0 FHABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000012116304 570719627 /nfs/dbraw/zinc/71/96/27/570719627.db2.gz VCSZUDYYJKVDOP-UHFFFAOYSA-N 1 2 352.413 3.568 40 0 FHABLO C[C@H](NC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1)c1ccccc1 ZINC000012116343 570719709 /nfs/dbraw/zinc/71/97/09/570719709.db2.gz FNIHXDXUCBCEBP-INIZCTEOSA-N 1 2 362.477 3.667 40 0 FHABLO C[C@H](NC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2C)C1)c1ccccc1 ZINC000012145810 570722759 /nfs/dbraw/zinc/72/27/59/570722759.db2.gz KQOGQNHCCYUNTL-WMZOPIPTSA-N 1 2 362.477 3.667 40 0 FHABLO CN(CCc1ccccn1)c1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(F)cc2)n1 ZINC000012221356 570729077 /nfs/dbraw/zinc/72/90/77/570729077.db2.gz FJEBPFRCVWJDAM-UHFFFAOYSA-N 1 2 374.423 3.747 40 0 FHABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4cccc(F)c4F)C3)[nH]n2c1=O ZINC000012276401 570731895 /nfs/dbraw/zinc/73/18/95/570731895.db2.gz QSPLKDWQCDKDQO-CYBMUJFWSA-N 1 2 372.419 3.573 40 0 FHABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4cccc(F)c4F)C3)[nH]n2c1=O ZINC000012276401 570731896 /nfs/dbraw/zinc/73/18/96/570731896.db2.gz QSPLKDWQCDKDQO-CYBMUJFWSA-N 1 2 372.419 3.573 40 0 FHABLO Cc1cc(Br)cc(C)c1NC(=S)NCCCn1cc[nH+]c1 ZINC000225193602 571020973 /nfs/dbraw/zinc/02/09/73/571020973.db2.gz MHFONOJIQPXDTL-UHFFFAOYSA-N 1 2 367.316 3.639 40 0 FHABLO C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccccc2Cn2cc[nH+]c2)o1 ZINC000029207120 571045274 /nfs/dbraw/zinc/04/52/74/571045274.db2.gz FLLDICOBGRAXQN-HGIXYHNESA-N 1 2 361.445 3.977 40 0 FHABLO C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccccc2Cn2cc[nH+]c2)o1 ZINC000029207129 571045527 /nfs/dbraw/zinc/04/55/27/571045527.db2.gz FLLDICOBGRAXQN-CTLVEUTNSA-N 1 2 361.445 3.977 40 0 FHABLO C[C@@H]1Cc2ccccc2N1CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225586468 571047628 /nfs/dbraw/zinc/04/76/28/571047628.db2.gz XRSYTDHFDSNGFU-GOSISDBHSA-N 1 2 374.488 3.503 40 0 FHABLO C[C@@H](SCc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000030753056 571049165 /nfs/dbraw/zinc/04/91/65/571049165.db2.gz BLATUSJWWGGSDG-MRXNPFEDSA-N 1 2 351.475 3.810 40 0 FHABLO COc1c(C)c[nH+]c(CSc2nc3cc(C4=NCCO4)ccc3[nH]2)c1C ZINC000004758923 571068431 /nfs/dbraw/zinc/06/84/31/571068431.db2.gz VYPGKBPAXMMBIS-UHFFFAOYSA-N 1 2 368.462 3.652 40 0 FHABLO Fc1ccc(C[N@@H+](Cc2ccnn2[C@H]2CCCCO2)C[C@@H]2CCCO2)cc1 ZINC000036719407 571081463 /nfs/dbraw/zinc/08/14/63/571081463.db2.gz ZHMOEUXCENPZSA-LEWJYISDSA-N 1 2 373.472 3.903 40 0 FHABLO Fc1ccc(C[N@H+](Cc2ccnn2[C@H]2CCCCO2)C[C@@H]2CCCO2)cc1 ZINC000036719407 571081465 /nfs/dbraw/zinc/08/14/65/571081465.db2.gz ZHMOEUXCENPZSA-LEWJYISDSA-N 1 2 373.472 3.903 40 0 FHABLO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000044901939 571104218 /nfs/dbraw/zinc/10/42/18/571104218.db2.gz TTWOFPAWYKTEST-GOSISDBHSA-N 1 2 363.461 3.881 40 0 FHABLO Cc1cccc(C[N@H+]2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)n1 ZINC000247864397 571125750 /nfs/dbraw/zinc/12/57/50/571125750.db2.gz HVUGDOSXZYBLSA-JOCHJYFZSA-N 1 2 369.509 3.582 40 0 FHABLO Cc1cccc(C[N@@H+]2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)n1 ZINC000247864397 571125755 /nfs/dbraw/zinc/12/57/55/571125755.db2.gz HVUGDOSXZYBLSA-JOCHJYFZSA-N 1 2 369.509 3.582 40 0 FHABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2CCOCC1CCCC1 ZINC000248028312 571127590 /nfs/dbraw/zinc/12/75/90/571127590.db2.gz LDOQHHVCWIQCEH-QGZVFWFLSA-N 1 2 350.528 3.639 40 0 FHABLO Fc1ccccc1Oc1cncc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072362998 571184581 /nfs/dbraw/zinc/18/45/81/571184581.db2.gz WYQSIBXTEVDMRM-CQSZACIVSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccccc1Oc1cncc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072362998 571184583 /nfs/dbraw/zinc/18/45/83/571184583.db2.gz WYQSIBXTEVDMRM-CQSZACIVSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377415 571186050 /nfs/dbraw/zinc/18/60/50/571186050.db2.gz NUQWPEMUPJMIGT-GOSISDBHSA-N 1 2 364.428 3.877 40 0 FHABLO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 ZINC000072377415 571186051 /nfs/dbraw/zinc/18/60/51/571186051.db2.gz NUQWPEMUPJMIGT-GOSISDBHSA-N 1 2 364.428 3.877 40 0 FHABLO O=C(CCc1ccccc1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378519 571186839 /nfs/dbraw/zinc/18/68/39/571186839.db2.gz YUJOPQPWYLEUEB-IBGZPJMESA-N 1 2 360.461 3.606 40 0 FHABLO CCc1ncc(C[N@@H+]2CCC[C@H]2c2n[nH]cc2-c2cccc(OC)c2)cn1 ZINC000072380398 571188152 /nfs/dbraw/zinc/18/81/52/571188152.db2.gz LRGHODRMRNHIAJ-IBGZPJMESA-N 1 2 363.465 3.775 40 0 FHABLO CCc1ncc(C[N@H+]2CCC[C@H]2c2n[nH]cc2-c2cccc(OC)c2)cn1 ZINC000072380398 571188153 /nfs/dbraw/zinc/18/81/53/571188153.db2.gz LRGHODRMRNHIAJ-IBGZPJMESA-N 1 2 363.465 3.775 40 0 FHABLO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccc(C)n2)CCO3)c1 ZINC000585105278 571224466 /nfs/dbraw/zinc/22/44/66/571224466.db2.gz SCFYYHVJRURNJV-NRFANRHFSA-N 1 2 352.478 3.649 40 0 FHABLO CCOc1cc(-c2nnc([C@@H]([NH3+])c3ccc(Cl)cc3)[nH]2)ccc1OC ZINC000095534057 571331524 /nfs/dbraw/zinc/33/15/24/571331524.db2.gz QOCASWPUAFLPSS-INIZCTEOSA-N 1 2 358.829 3.581 40 0 FHABLO Brc1ccccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000217496804 571348091 /nfs/dbraw/zinc/34/80/91/571348091.db2.gz WXYOIHOZQKLMKL-INIZCTEOSA-N 1 2 362.267 3.729 40 0 FHABLO Brc1ccccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000217496804 571348092 /nfs/dbraw/zinc/34/80/92/571348092.db2.gz WXYOIHOZQKLMKL-INIZCTEOSA-N 1 2 362.267 3.729 40 0 FHABLO Cc1ccc(Nc2nc([C@H]3CCC[N@@H+](Cc4nccn4C)C3)cs2)nc1 ZINC000257253598 223039104 /nfs/dbraw/zinc/03/91/04/223039104.db2.gz JZNMMVWRFQTZHU-HNNXBMFYSA-N 1 2 368.510 3.703 40 0 FHABLO Cc1ccc(Nc2nc([C@H]3CCC[N@H+](Cc4nccn4C)C3)cs2)nc1 ZINC000257253598 223039107 /nfs/dbraw/zinc/03/91/07/223039107.db2.gz JZNMMVWRFQTZHU-HNNXBMFYSA-N 1 2 368.510 3.703 40 0 FHABLO COc1ccccc1[C@@H]1Cn2c(C)c[nH+]c2CN1C(=O)c1ccsc1 ZINC000257280993 223050005 /nfs/dbraw/zinc/05/00/05/223050005.db2.gz ONFUGHAJNFHSJD-INIZCTEOSA-N 1 2 353.447 3.659 40 0 FHABLO O=C(c1cnc2ccccc2c1)N1CCC[C@H](c2cccc3[nH+]ccn32)C1 ZINC000257327908 223067055 /nfs/dbraw/zinc/06/70/55/223067055.db2.gz XDHSIHSBOXIUGO-KRWDZBQOSA-N 1 2 356.429 3.902 40 0 FHABLO Cc1ccccc1CC(=O)N1C[C@@H]2Cc3[nH+]cc(-c4ccccc4)n3C[C@@H]2C1 ZINC000306141884 223113456 /nfs/dbraw/zinc/11/34/56/223113456.db2.gz WIYOTKRHTHCKCL-SFTDATJTSA-N 1 2 371.484 3.732 40 0 FHABLO Cc1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329023472 223129240 /nfs/dbraw/zinc/12/92/40/223129240.db2.gz OUBPEEMWZPNVKK-UHFFFAOYSA-N 1 2 359.477 3.657 40 0 FHABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000012667019 220016934 /nfs/dbraw/zinc/01/69/34/220016934.db2.gz CGXBIKAMLIGPBK-UHFFFAOYSA-N 1 2 354.841 3.524 40 0 FHABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](Cc1ccccc1Cl)C2 ZINC000012667019 220016937 /nfs/dbraw/zinc/01/69/37/220016937.db2.gz CGXBIKAMLIGPBK-UHFFFAOYSA-N 1 2 354.841 3.524 40 0 FHABLO c1csc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000015675522 220159351 /nfs/dbraw/zinc/15/93/51/220159351.db2.gz DRJWNNIDLWJLTO-KRWDZBQOSA-N 1 2 363.446 3.821 40 0 biogenic,in-vitro FHABLO c1[nH+]cn(Cc2ccccc2)c1CN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000019372919 220253675 /nfs/dbraw/zinc/25/36/75/220253675.db2.gz GBRKTLQJMAACKH-JOCHJYFZSA-N 1 2 362.477 3.508 40 0 FHABLO Cc1ncsc1C(=O)N1CC[N@@H+](Cc2ccccc2F)C[C@@H]1C(C)C ZINC000019562184 220273410 /nfs/dbraw/zinc/27/34/10/220273410.db2.gz CYEARMIPKHHGCA-QGZVFWFLSA-N 1 2 361.486 3.573 40 0 FHABLO Cc1ncsc1C(=O)N1CC[N@H+](Cc2ccccc2F)C[C@@H]1C(C)C ZINC000019562184 220273414 /nfs/dbraw/zinc/27/34/14/220273414.db2.gz CYEARMIPKHHGCA-QGZVFWFLSA-N 1 2 361.486 3.573 40 0 FHABLO c1c(CC2([NH2+]Cc3cc4ccccc4o3)COC2)noc1-c1ccccn1 ZINC000067898283 221303120 /nfs/dbraw/zinc/30/31/20/221303120.db2.gz JVVMWDZPOCSSJF-UHFFFAOYSA-N 1 2 361.401 3.584 40 0 biogenic,in-vitro FHABLO O=C(CCc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378825 221488063 /nfs/dbraw/zinc/48/80/63/221488063.db2.gz RLMKPQUDHVJUSU-LJQANCHMSA-N 1 2 364.424 3.703 40 0 FHABLO Cc1cccc(NC(=O)N2CCC3(C[C@@H](Nc4cccc[nH+]4)CO3)CC2)c1 ZINC000096221328 222085939 /nfs/dbraw/zinc/08/59/39/222085939.db2.gz JQOVRGVDCZVTQF-GOSISDBHSA-N 1 2 366.465 3.658 40 0 FHABLO C[C@@H](SCc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020238756 263379164 /nfs/dbraw/zinc/37/91/64/263379164.db2.gz GDPLPJCGEPYRSL-GOSISDBHSA-N 1 2 354.519 3.653 40 0 FHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccoc5)CCO4)nnn3c2)cc1 ZINC000306129519 534186584 /nfs/dbraw/zinc/18/65/84/534186584.db2.gz IFSCZSQNMMLYKD-OAQYLSRUSA-N 1 2 374.444 3.871 40 0 FHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccoc5)CCO4)nnn3c2)cc1 ZINC000306129519 534186593 /nfs/dbraw/zinc/18/65/93/534186593.db2.gz IFSCZSQNMMLYKD-OAQYLSRUSA-N 1 2 374.444 3.871 40 0 FHABLO CC(C)(C)OC(=O)Nc1ccc(OCC[NH+]2CCOCC2)c2ccccc12 ZINC000080859201 518842119 /nfs/dbraw/zinc/84/21/19/518842119.db2.gz XULLZLAGYGKKBS-UHFFFAOYSA-N 1 2 372.465 3.898 40 0 FHABLO FC(F)(F)c1ccc(-n2ncc3c2COC[C@@H]3[NH2+]Cc2ccco2)cc1 ZINC000306143040 534417857 /nfs/dbraw/zinc/41/78/57/534417857.db2.gz XRMZUGYTNAFZKX-INIZCTEOSA-N 1 2 363.339 3.845 40 0 FHABLO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020460511 522884701 /nfs/dbraw/zinc/88/47/01/522884701.db2.gz DSHAOXHVQWKPJG-IBGZPJMESA-N 1 2 369.852 4.000 40 0 FHABLO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020044635 523051238 /nfs/dbraw/zinc/05/12/38/523051238.db2.gz JRJOJECQDLNPBR-HXUWFJFHSA-N 1 2 363.461 3.963 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306140211 534877085 /nfs/dbraw/zinc/87/70/85/534877085.db2.gz UNABMRBKHZNBML-PKOBYXMFSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306140211 534877088 /nfs/dbraw/zinc/87/70/88/534877088.db2.gz UNABMRBKHZNBML-PKOBYXMFSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306140209 534877487 /nfs/dbraw/zinc/87/74/87/534877487.db2.gz UNABMRBKHZNBML-IEBWSBKVSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306140209 534877489 /nfs/dbraw/zinc/87/74/89/534877489.db2.gz UNABMRBKHZNBML-IEBWSBKVSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000306144099 534877591 /nfs/dbraw/zinc/87/75/91/534877591.db2.gz YWFDSALJONPVCV-HKUYNNGSSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000306144099 534877594 /nfs/dbraw/zinc/87/75/94/534877594.db2.gz YWFDSALJONPVCV-HKUYNNGSSA-N 1 2 371.483 3.763 40 0 FHABLO CC[C@@H](C)Nc1nc(NCc2ccccc2Cl)cc(-c2ccncc2)[nH+]1 ZINC000329052637 529357423 /nfs/dbraw/zinc/35/74/23/529357423.db2.gz VDCOWRRHEWAYCY-CQSZACIVSA-N 1 2 367.884 3.858 40 0 FHABLO CCCC[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670184 534942439 /nfs/dbraw/zinc/94/24/39/534942439.db2.gz ZGKXRILWFNZSHA-IBGZPJMESA-N 1 2 370.545 3.924 40 0 FHABLO CCCNC(=O)c1cc(N)ccc1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000225485959 535124805 /nfs/dbraw/zinc/12/48/05/535124805.db2.gz DVFCVVRHFVDKIF-UHFFFAOYSA-N 1 2 351.494 3.868 40 0 FHABLO CCC[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670144 535722754 /nfs/dbraw/zinc/72/27/54/535722754.db2.gz KWHVPIGWXKQGNA-GOSISDBHSA-N 1 2 356.518 3.534 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(NC3CC3)[nH+]c2)cc1 ZINC000072213817 570529115 /nfs/dbraw/zinc/52/91/15/570529115.db2.gz KUEWRVFTXQEPFM-IBGZPJMESA-N 1 2 371.506 3.880 40 0 FHABLO O=C(C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1)Nc1ccccc1Cl ZINC000012113975 570719254 /nfs/dbraw/zinc/71/92/54/570719254.db2.gz LYHKJKMCWWYCKC-UHFFFAOYSA-N 1 2 372.852 3.887 40 0 FHABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000012116312 570719600 /nfs/dbraw/zinc/71/96/00/570719600.db2.gz HXNNFUUXQZBYNN-UHFFFAOYSA-N 1 2 352.413 3.568 40 0 FHABLO Fc1ccc(-c2nc(NCCc3ccncc3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000012221823 570728932 /nfs/dbraw/zinc/72/89/32/570728932.db2.gz SRZSDIVJEBZFRA-UHFFFAOYSA-N 1 2 360.396 3.722 40 0 FHABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4cccc(F)c4F)C3)[nH]n2c1=O ZINC000012276402 570731861 /nfs/dbraw/zinc/73/18/61/570731861.db2.gz QSPLKDWQCDKDQO-ZDUSSCGKSA-N 1 2 372.419 3.573 40 0 FHABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4cccc(F)c4F)C3)[nH]n2c1=O ZINC000012276402 570731865 /nfs/dbraw/zinc/73/18/65/570731865.db2.gz QSPLKDWQCDKDQO-ZDUSSCGKSA-N 1 2 372.419 3.573 40 0 FHABLO Cc1nn(C)c(C)c1CCn1c[nH+]cc1-c1ccc2c(c1)CC[C@@H](C)N2C ZINC000019719342 570900914 /nfs/dbraw/zinc/90/09/14/570900914.db2.gz HLIXBPNLAWXROZ-OAHLLOKOSA-N 1 2 363.509 3.914 40 0 FHABLO CC(C)CSc1nnc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000224848920 571002320 /nfs/dbraw/zinc/00/23/20/571002320.db2.gz GZTUTUNLROXDHN-UHFFFAOYSA-N 1 2 373.507 3.783 40 0 FHABLO C[C@H](SCc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000030753060 571049187 /nfs/dbraw/zinc/04/91/87/571049187.db2.gz BLATUSJWWGGSDG-INIZCTEOSA-N 1 2 351.475 3.810 40 0 FHABLO O=C(COc1cccc2ccccc21)NCc1ccccc1-n1cc[nH+]c1 ZINC000030863949 571051817 /nfs/dbraw/zinc/05/18/17/571051817.db2.gz JWTJJFRUPUJMIK-UHFFFAOYSA-N 1 2 357.413 3.721 40 0 FHABLO C[C@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000031861140 571055980 /nfs/dbraw/zinc/05/59/80/571055980.db2.gz JKQJZONEAFJYTO-ZEWGMFERSA-N 1 2 353.418 3.703 40 0 FHABLO O=C(Nc1ccc(Br)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038834027 571087232 /nfs/dbraw/zinc/08/72/32/571087232.db2.gz WIPDCZAYOIXBRK-UHFFFAOYSA-N 1 2 356.223 3.946 40 0 FHABLO CC[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(C)cc1 ZINC000044848571 571103202 /nfs/dbraw/zinc/10/32/02/571103202.db2.gz COYONOSKJFBVPG-OAQYLSRUSA-N 1 2 352.478 3.708 40 0 FHABLO Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000044900364 571104096 /nfs/dbraw/zinc/10/40/96/571104096.db2.gz SENWOQDISXYMIV-GOSISDBHSA-N 1 2 352.478 3.627 40 0 FHABLO O=C(NCCCc1ccccc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044906299 571104498 /nfs/dbraw/zinc/10/44/98/571104498.db2.gz GXFFLUSWWKZGEL-UHFFFAOYSA-N 1 2 353.853 3.947 40 0 FHABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2CCOCC1CCCC1 ZINC000248028308 571127257 /nfs/dbraw/zinc/12/72/57/571127257.db2.gz LDOQHHVCWIQCEH-KRWDZBQOSA-N 1 2 350.528 3.639 40 0 FHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072378850 571187271 /nfs/dbraw/zinc/18/72/71/571187271.db2.gz DWYUDXQHHZSBMW-GOSISDBHSA-N 1 2 364.424 3.946 40 0 FHABLO O=C(CCc1ccc(F)cc1)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378824 571187415 /nfs/dbraw/zinc/18/74/15/571187415.db2.gz RLMKPQUDHVJUSU-IBGZPJMESA-N 1 2 364.424 3.703 40 0 FHABLO Clc1ccc(Oc2cncc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000072384348 571189318 /nfs/dbraw/zinc/18/93/18/571189318.db2.gz NNRUEEHTQSBUNM-INIZCTEOSA-N 1 2 355.829 3.983 40 0 FHABLO Cc1ccc(C(=O)N2Cc3cccn3C[C@@H](CCNc3cccc[nH+]3)C2)o1 ZINC000585095498 571220046 /nfs/dbraw/zinc/22/00/46/571220046.db2.gz UJHQNLMUEIRMKS-QGZVFWFLSA-N 1 2 364.449 3.559 40 0 FHABLO COc1ccc([C@@H](c2nnnn2C2CCCC2)[NH+]2CCC(C)CC2)cc1 ZINC000004375675 219571035 /nfs/dbraw/zinc/57/10/35/219571035.db2.gz NQUWDWKVYGPVAA-IBGZPJMESA-N 1 2 355.486 3.618 40 0 FHABLO Clc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(-c3cnccn3)o2)cc1 ZINC000257229833 223029509 /nfs/dbraw/zinc/02/95/09/223029509.db2.gz FZQLARPNYFMWPY-MRXNPFEDSA-N 1 2 355.829 3.907 40 0 FHABLO Clc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(-c3cnccn3)o2)cc1 ZINC000257229833 223029511 /nfs/dbraw/zinc/02/95/11/223029511.db2.gz FZQLARPNYFMWPY-MRXNPFEDSA-N 1 2 355.829 3.907 40 0 FHABLO Oc1cccc2c1OC1(CC[NH+](Cc3nccs3)CC1)[C@H]1CCCO[C@H]21 ZINC000257237246 223031563 /nfs/dbraw/zinc/03/15/63/223031563.db2.gz HFSSSDZWSKQNMA-MAUKXSAKSA-N 1 2 372.490 3.744 40 0 FHABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1Oc1ccccc1 ZINC000257268042 223044457 /nfs/dbraw/zinc/04/44/57/223044457.db2.gz MJZHKCKUPCMYIY-QHCPKHFHSA-N 1 2 373.456 3.851 40 0 FHABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1Oc1ccccc1 ZINC000257268042 223044459 /nfs/dbraw/zinc/04/44/59/223044459.db2.gz MJZHKCKUPCMYIY-QHCPKHFHSA-N 1 2 373.456 3.851 40 0 FHABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2sccc2C)cc1 ZINC000257303998 223058050 /nfs/dbraw/zinc/05/80/50/223058050.db2.gz SJRCRSHPNCRHPJ-MRXNPFEDSA-N 1 2 353.447 3.659 40 0 FHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257321878 223064090 /nfs/dbraw/zinc/06/40/90/223064090.db2.gz WDQOYKFWURLTRB-OAQYLSRUSA-N 1 2 366.440 3.503 40 0 FHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257321878 223064095 /nfs/dbraw/zinc/06/40/95/223064095.db2.gz WDQOYKFWURLTRB-OAQYLSRUSA-N 1 2 366.440 3.503 40 0 FHABLO Clc1ccc(Oc2cncc([C@H]3CCCN3Cc3c[nH+]c[nH]3)n2)cc1 ZINC000257342503 223073500 /nfs/dbraw/zinc/07/35/00/223073500.db2.gz ZOZCBCKEBJUPQO-QGZVFWFLSA-N 1 2 355.829 3.983 40 0 FHABLO Cc1cc(C)c(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)c(C)c1 ZINC000329004850 223128399 /nfs/dbraw/zinc/12/83/99/223128399.db2.gz KVFBXYLRCLNMSS-GOSISDBHSA-N 1 2 354.498 3.874 40 0 FHABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)c(Br)c1 ZINC000329017932 223129585 /nfs/dbraw/zinc/12/95/85/223129585.db2.gz NNVQKRWBYIABHL-UHFFFAOYSA-N 1 2 359.271 3.587 40 0 FHABLO C[C@@H](NC(=O)C[N@H+](C)Cc1ccccn1)c1cc2cc(Cl)ccc2o1 ZINC000019458551 220260421 /nfs/dbraw/zinc/26/04/21/220260421.db2.gz CVDQBUDISPZUQO-CYBMUJFWSA-N 1 2 357.841 3.790 40 0 FHABLO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccn1)c1cc2cc(Cl)ccc2o1 ZINC000019458551 220260426 /nfs/dbraw/zinc/26/04/26/220260426.db2.gz CVDQBUDISPZUQO-CYBMUJFWSA-N 1 2 357.841 3.790 40 0 FHABLO COc1cccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)c1 ZINC000019564630 220274745 /nfs/dbraw/zinc/27/47/45/220274745.db2.gz DRTOLZYXIFCTFP-SFHVURJKSA-N 1 2 351.450 3.753 40 0 FHABLO COc1cccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)c1 ZINC000019564630 220274748 /nfs/dbraw/zinc/27/47/48/220274748.db2.gz DRTOLZYXIFCTFP-SFHVURJKSA-N 1 2 351.450 3.753 40 0 FHABLO CCN1c2ccc(-c3c[nH+]cn3CCc3c(C)nn(C)c3C)cc2C[C@H]1C ZINC000019719454 220291519 /nfs/dbraw/zinc/29/15/19/220291519.db2.gz HINKKLRDFAHFER-OAHLLOKOSA-N 1 2 363.509 3.914 40 0 FHABLO CC1(CNC(=O)CCn2c3ccccc3[nH+]c2C2CCCCC2)COC1 ZINC000019714856 220287903 /nfs/dbraw/zinc/28/79/03/220287903.db2.gz GQYBOIXWJQMGMA-UHFFFAOYSA-N 1 2 355.482 3.627 40 0 FHABLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000067802890 221287550 /nfs/dbraw/zinc/28/75/50/221287550.db2.gz DTEUBCRJSWJARX-CQSZACIVSA-N 1 2 355.276 3.548 40 0 FHABLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000067802890 221287552 /nfs/dbraw/zinc/28/75/52/221287552.db2.gz DTEUBCRJSWJARX-CQSZACIVSA-N 1 2 355.276 3.548 40 0 FHABLO COc1ccc(OC)c(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1 ZINC000219850017 132274846 /nfs/dbraw/zinc/27/48/46/132274846.db2.gz MVERVTFMAHMVNU-UHFFFAOYSA-N 1 2 354.450 3.867 40 0 FHABLO CCOc1ccc(CNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219862286 132275204 /nfs/dbraw/zinc/27/52/04/132275204.db2.gz ANAUFWNCASDZSD-UHFFFAOYSA-N 1 2 352.478 3.927 40 0 FHABLO Cc1cc(N2CCC[C@@H](c3ncc(Cc4ccccc4F)o3)C2)nc[nH+]1 ZINC000257216917 132295141 /nfs/dbraw/zinc/29/51/41/132295141.db2.gz CWQQTKIYLMUXQD-MRXNPFEDSA-N 1 2 352.413 3.887 40 0 FHABLO Cc1nc(N2CCO[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc[nH+]1 ZINC000257229355 132295175 /nfs/dbraw/zinc/29/51/75/132295175.db2.gz FXTSNAKSBCUARY-QGZVFWFLSA-N 1 2 370.840 3.595 40 0 FHABLO Cc1ccc2c(c1)OC1(CC[NH+](Cc3nccn3C)CC1)[C@H]1CCCO[C@H]21 ZINC000257319222 534429034 /nfs/dbraw/zinc/42/90/34/534429034.db2.gz VRJALEGUMYMYBL-GHTZIAJQSA-N 1 2 367.493 3.623 40 0 FHABLO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020459908 522871383 /nfs/dbraw/zinc/87/13/83/522871383.db2.gz DIEISJKTXHIHTC-NRFANRHFSA-N 1 2 363.461 3.963 40 0 FHABLO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020104983 522897337 /nfs/dbraw/zinc/89/73/37/522897337.db2.gz VYTAJGUNXMOHEE-SFHVURJKSA-N 1 2 369.852 4.000 40 0 FHABLO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020459907 523039734 /nfs/dbraw/zinc/03/97/34/523039734.db2.gz DIEISJKTXHIHTC-OAQYLSRUSA-N 1 2 363.461 3.963 40 0 FHABLO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020046157 523050958 /nfs/dbraw/zinc/05/09/58/523050958.db2.gz AFSVMPJPNZPVIU-HXUWFJFHSA-N 1 2 363.461 3.963 40 0 FHABLO O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2cccc3[nH+]ccn32)C1 ZINC000257313918 534727085 /nfs/dbraw/zinc/72/70/85/534727085.db2.gz UURGXCODFZWDQS-QGZVFWFLSA-N 1 2 356.429 3.902 40 0 FHABLO Cc1cc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc(C)c1Cl ZINC000020450240 525362234 /nfs/dbraw/zinc/36/22/34/525362234.db2.gz MTPOVZOVQUQILS-UHFFFAOYSA-N 1 2 369.852 3.838 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000306144101 534877472 /nfs/dbraw/zinc/87/74/72/534877472.db2.gz YWFDSALJONPVCV-MJGOQNOKSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000306144101 534877475 /nfs/dbraw/zinc/87/74/75/534877475.db2.gz YWFDSALJONPVCV-MJGOQNOKSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000306143147 534877881 /nfs/dbraw/zinc/87/78/81/534877881.db2.gz XUOQUMGRIBXSRD-APWZRJJASA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2C[N@H+](Cc3ccco3)C[C@@H]21 ZINC000306143147 534877885 /nfs/dbraw/zinc/87/78/85/534877885.db2.gz XUOQUMGRIBXSRD-APWZRJJASA-N 1 2 371.483 3.763 40 0 FHABLO CCC(=O)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2csc(C)n2)C1 ZINC000306127088 528392026 /nfs/dbraw/zinc/39/20/26/528392026.db2.gz FOFZOWQYYTVMQS-SFHVURJKSA-N 1 2 366.490 3.580 40 0 FHABLO CC(C)[C@@H](CO)Nc1nc(Nc2c(F)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329069706 528483043 /nfs/dbraw/zinc/48/30/43/528483043.db2.gz YZYWBHMVFOFSES-OAHLLOKOSA-N 1 2 364.852 3.741 40 0 FHABLO CC[C@@H](C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328996697 529357307 /nfs/dbraw/zinc/35/73/07/529357307.db2.gz JLVMRIRPVWXRLI-CQSZACIVSA-N 1 2 367.884 3.858 40 0 FHABLO CCCC[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670176 534942822 /nfs/dbraw/zinc/94/28/22/534942822.db2.gz OQEDRALLTOOZGN-FQEVSTJZSA-N 1 2 370.545 3.924 40 0 FHABLO CCN(C)c1[nH+]cccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212814 570527929 /nfs/dbraw/zinc/52/79/29/570527929.db2.gz PRHRMPBGLPSSRH-IBGZPJMESA-N 1 2 373.522 3.762 40 0 FHABLO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]c3ccc(N4CCOCC4)cc3)cc12 ZINC000012088267 570717539 /nfs/dbraw/zinc/71/75/39/570717539.db2.gz DTJKKIPYGDJWHC-UHFFFAOYSA-N 1 2 363.461 3.594 40 0 FHABLO COc1cccc(OC)c1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(C(C)C)ncc12 ZINC000012220562 570728611 /nfs/dbraw/zinc/72/86/11/570728611.db2.gz GNCWJQAACMERPK-KBXCAEBGSA-N 1 2 353.466 3.879 40 0 FHABLO COc1cccc(OC)c1C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(C(C)C)ncc12 ZINC000012220562 570728615 /nfs/dbraw/zinc/72/86/15/570728615.db2.gz GNCWJQAACMERPK-KBXCAEBGSA-N 1 2 353.466 3.879 40 0 FHABLO O=C(Cc1cccc(Cl)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225615326 571049877 /nfs/dbraw/zinc/04/98/77/571049877.db2.gz DSRQIUIGTCSHCS-WEVVVXLNSA-N 1 2 354.881 3.740 40 0 FHABLO COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(C)[nH+]c2ccccc12 ZINC000001458797 571064741 /nfs/dbraw/zinc/06/47/41/571064741.db2.gz NTRXCMBSTUNHLM-LJQANCHMSA-N 1 2 350.374 3.842 40 0 FHABLO Fc1ccccc1C[N@@H+](Cc1ccnn1[C@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000036740590 571081553 /nfs/dbraw/zinc/08/15/53/571081553.db2.gz SDBCIURBGJXRHL-PZJWPPBQSA-N 1 2 373.472 3.903 40 0 FHABLO Fc1ccccc1C[N@H+](Cc1ccnn1[C@H]1CCCCO1)C[C@@H]1CCCO1 ZINC000036740590 571081556 /nfs/dbraw/zinc/08/15/56/571081556.db2.gz SDBCIURBGJXRHL-PZJWPPBQSA-N 1 2 373.472 3.903 40 0 FHABLO CC(C)c1ccc(CCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000038755822 571086313 /nfs/dbraw/zinc/08/63/13/571086313.db2.gz VKGCXCUUQDECQH-UHFFFAOYSA-N 1 2 366.505 3.615 40 0 FHABLO CCSc1ccccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000044938691 571105215 /nfs/dbraw/zinc/10/52/15/571105215.db2.gz BVEWIVWDISKXTQ-UHFFFAOYSA-N 1 2 356.491 3.883 40 0 FHABLO Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329000113 571106907 /nfs/dbraw/zinc/10/69/07/571106907.db2.gz JZMJBZGQXSRAHW-UHFFFAOYSA-N 1 2 373.298 3.895 40 0 FHABLO C[NH+]1CCN(C(=O)c2cccc(-c3nc4cc(Cl)ccc4o3)c2)CC1 ZINC000041127546 571111734 /nfs/dbraw/zinc/11/17/34/571111734.db2.gz KUWHFOZDWRKCBN-UHFFFAOYSA-N 1 2 355.825 3.536 40 0 FHABLO COCC1=CCN(C(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000332553367 571120395 /nfs/dbraw/zinc/12/03/95/571120395.db2.gz QSIGQXVFMFHAMA-INIZCTEOSA-N 1 2 358.486 3.579 40 0 FHABLO COc1ccccc1C[N@H+]1Cc2cccn2[C@@H](COCc2ccccn2)C1 ZINC000248131352 571127929 /nfs/dbraw/zinc/12/79/29/571127929.db2.gz KMYTXKBHPOMDNQ-OAQYLSRUSA-N 1 2 363.461 3.665 40 0 FHABLO COc1ccccc1C[N@@H+]1Cc2cccn2[C@@H](COCc2ccccn2)C1 ZINC000248131352 571127930 /nfs/dbraw/zinc/12/79/30/571127930.db2.gz KMYTXKBHPOMDNQ-OAQYLSRUSA-N 1 2 363.461 3.665 40 0 FHABLO Cc1c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)noc1-c1ccccc1F ZINC000279025261 571144551 /nfs/dbraw/zinc/14/45/51/571144551.db2.gz WDSABFGTYXNHET-ZDUSSCGKSA-N 1 2 369.400 3.924 40 0 FHABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2CC ZINC000261362024 571164564 /nfs/dbraw/zinc/16/45/64/571164564.db2.gz BVCNRYVDMKOZIS-INIZCTEOSA-O 1 2 373.502 3.694 40 0 FHABLO Cc1nc(=O)c2cc(Cl)ccc2n1C1=CC[N@H+](Cc2ccccn2)CC1 ZINC000072348313 571180037 /nfs/dbraw/zinc/18/00/37/571180037.db2.gz LZJIHNLMVVWLDX-UHFFFAOYSA-N 1 2 366.852 3.500 40 0 FHABLO Cc1nc(=O)c2cc(Cl)ccc2n1C1=CC[N@@H+](Cc2ccccn2)CC1 ZINC000072348313 571180038 /nfs/dbraw/zinc/18/00/38/571180038.db2.gz LZJIHNLMVVWLDX-UHFFFAOYSA-N 1 2 366.852 3.500 40 0 FHABLO c1csc(Nc2nccc([C@@H]3CCCC[N@H+]3Cc3ccncc3)n2)n1 ZINC000072377629 571186675 /nfs/dbraw/zinc/18/66/75/571186675.db2.gz DMNWBERAAYXNFR-INIZCTEOSA-N 1 2 352.467 3.799 40 0 FHABLO c1csc(Nc2nccc([C@@H]3CCCC[N@@H+]3Cc3ccncc3)n2)n1 ZINC000072377629 571186676 /nfs/dbraw/zinc/18/66/76/571186676.db2.gz DMNWBERAAYXNFR-INIZCTEOSA-N 1 2 352.467 3.799 40 0 FHABLO Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377891 571186926 /nfs/dbraw/zinc/18/69/26/571186926.db2.gz RPGWCKUAICXYKC-MRXNPFEDSA-N 1 2 353.451 3.719 40 0 FHABLO Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377891 571186927 /nfs/dbraw/zinc/18/69/27/571186927.db2.gz RPGWCKUAICXYKC-MRXNPFEDSA-N 1 2 353.451 3.719 40 0 FHABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000072378943 571187223 /nfs/dbraw/zinc/18/72/23/571187223.db2.gz OJOHDGUVSBQGID-KRWDZBQOSA-N 1 2 352.482 3.897 40 0 FHABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4cccc(Cl)c4)C3)C2)n1 ZINC000585105438 571223781 /nfs/dbraw/zinc/22/37/81/571223781.db2.gz WNAFWNLFOKQKMO-FQEVSTJZSA-N 1 2 372.896 3.994 40 0 FHABLO COc1ccc([C@@H]([NH3+])c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)cc1 ZINC000095533752 571331442 /nfs/dbraw/zinc/33/14/42/571331442.db2.gz SNGBZMMVWXKTPX-LJQANCHMSA-N 1 2 366.465 3.738 40 0 FHABLO Brc1ccccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000217496877 571348141 /nfs/dbraw/zinc/34/81/41/571348141.db2.gz WXYOIHOZQKLMKL-MRXNPFEDSA-N 1 2 362.267 3.729 40 0 FHABLO Brc1ccccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000217496877 571348142 /nfs/dbraw/zinc/34/81/42/571348142.db2.gz WXYOIHOZQKLMKL-MRXNPFEDSA-N 1 2 362.267 3.729 40 0 FHABLO CNc1nc(Nc2ccc(C)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328970335 529832959 /nfs/dbraw/zinc/83/29/59/529832959.db2.gz DJDFXEPLDRAHTK-UHFFFAOYSA-N 1 2 369.266 3.844 40 0 FHABLO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@@H+]2Cc2ncccc2F)n1 ZINC000257260842 223041418 /nfs/dbraw/zinc/04/14/18/223041418.db2.gz LERDTMPWYZQQKK-GOSISDBHSA-N 1 2 353.401 3.620 40 0 FHABLO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@H+]2Cc2ncccc2F)n1 ZINC000257260842 223041421 /nfs/dbraw/zinc/04/14/21/223041421.db2.gz LERDTMPWYZQQKK-GOSISDBHSA-N 1 2 353.401 3.620 40 0 FHABLO CCc1nnc(Nc2cccc([C@@H]3C[N@H+](CC(C)(C)C)CCO3)n2)s1 ZINC000257273463 223046426 /nfs/dbraw/zinc/04/64/26/223046426.db2.gz NGRDRRSWRLCLHA-AWEZNQCLSA-N 1 2 361.515 3.659 40 0 FHABLO CCc1nnc(Nc2cccc([C@@H]3C[N@@H+](CC(C)(C)C)CCO3)n2)s1 ZINC000257273463 223046428 /nfs/dbraw/zinc/04/64/28/223046428.db2.gz NGRDRRSWRLCLHA-AWEZNQCLSA-N 1 2 361.515 3.659 40 0 FHABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257310058 223060563 /nfs/dbraw/zinc/06/05/63/223060563.db2.gz UDNDINUQVASENL-HNNXBMFYSA-N 1 2 366.494 3.760 40 0 FHABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257310058 223060564 /nfs/dbraw/zinc/06/05/64/223060564.db2.gz UDNDINUQVASENL-HNNXBMFYSA-N 1 2 366.494 3.760 40 0 FHABLO CCn1cc(C(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)c2ccccc21 ZINC000257327133 223066969 /nfs/dbraw/zinc/06/69/69/223066969.db2.gz XACACVPIAQSFFI-INIZCTEOSA-N 1 2 350.466 3.723 40 0 FHABLO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@H+]2Cc2nccn2C(C)C)n1 ZINC000257337768 223070933 /nfs/dbraw/zinc/07/09/33/223070933.db2.gz YUHBERTYGQTZIS-GOSISDBHSA-N 1 2 366.469 3.863 40 0 FHABLO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@@H+]2Cc2nccn2C(C)C)n1 ZINC000257337768 223070935 /nfs/dbraw/zinc/07/09/35/223070935.db2.gz YUHBERTYGQTZIS-GOSISDBHSA-N 1 2 366.469 3.863 40 0 FHABLO Cc1noc(C)c1-c1cncc([C@H]2CCCN2Cc2[nH+]ccn2C(C)C)n1 ZINC000257337768 223070938 /nfs/dbraw/zinc/07/09/38/223070938.db2.gz YUHBERTYGQTZIS-GOSISDBHSA-N 1 2 366.469 3.863 40 0 FHABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1Cl ZINC000329026072 223129542 /nfs/dbraw/zinc/12/95/42/223129542.db2.gz PJQLSYXCHLGXRN-KRWDZBQOSA-N 1 2 360.889 3.910 40 0 FHABLO Cc1ccsc1C[N@@H+]1CCc2nc3cc(C(C)(C)C)[nH]n3c(=O)c2C1 ZINC000012666901 220016852 /nfs/dbraw/zinc/01/68/52/220016852.db2.gz YKBCCJVZXFJLPD-UHFFFAOYSA-N 1 2 356.495 3.661 40 0 FHABLO Cc1ccsc1C[N@H+]1CCc2nc3cc(C(C)(C)C)[nH]n3c(=O)c2C1 ZINC000012666901 220016853 /nfs/dbraw/zinc/01/68/53/220016853.db2.gz YKBCCJVZXFJLPD-UHFFFAOYSA-N 1 2 356.495 3.661 40 0 FHABLO CSc1ccc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000012667064 220017234 /nfs/dbraw/zinc/01/72/34/220017234.db2.gz QWIUCLROTXBBPA-UHFFFAOYSA-N 1 2 366.490 3.593 40 0 FHABLO CSc1ccc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000012667064 220017237 /nfs/dbraw/zinc/01/72/37/220017237.db2.gz QWIUCLROTXBBPA-UHFFFAOYSA-N 1 2 366.490 3.593 40 0 FHABLO COc1cccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)c1 ZINC000019564634 220274564 /nfs/dbraw/zinc/27/45/64/220274564.db2.gz DRTOLZYXIFCTFP-GOSISDBHSA-N 1 2 351.450 3.753 40 0 FHABLO COc1cccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)c1 ZINC000019564634 220274567 /nfs/dbraw/zinc/27/45/67/220274567.db2.gz DRTOLZYXIFCTFP-GOSISDBHSA-N 1 2 351.450 3.753 40 0 FHABLO CNc1cc([C@@H]2CCCN2C(=O)c2c[nH]c3ccc(OC)cc32)cc[nH+]1 ZINC000257306712 533053121 /nfs/dbraw/zinc/05/31/21/533053121.db2.gz SVMIYEVPUZYLIG-SFHVURJKSA-N 1 2 350.422 3.591 40 0 FHABLO Cc1cc2[nH]c(CCNC(=O)c3ccc4c(c3)ncn4C3CC3)[nH+]c2cc1C ZINC000019714300 220288376 /nfs/dbraw/zinc/28/83/76/220288376.db2.gz LBGJRYYPIJDIMB-UHFFFAOYSA-N 1 2 373.460 3.837 40 0 FHABLO CCOC1CC[NH+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000019716012 220290429 /nfs/dbraw/zinc/29/04/29/220290429.db2.gz QDIYRAWOALIRTK-UHFFFAOYSA-N 1 2 359.495 3.558 40 0 FHABLO CC(C)(C)c1ccc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000022526082 220389613 /nfs/dbraw/zinc/38/96/13/220389613.db2.gz YKJBELGEGCAVLY-UHFFFAOYSA-N 1 2 363.461 3.865 40 0 FHABLO COc1ccc2nc3c(cc2c1)C[N@@H+](CCOc1ccccc1)CCO3 ZINC000057719269 221093235 /nfs/dbraw/zinc/09/32/35/221093235.db2.gz MVDSPUYDYXFGCE-UHFFFAOYSA-N 1 2 350.418 3.517 40 0 FHABLO COc1ccc2nc3c(cc2c1)C[N@H+](CCOc1ccccc1)CCO3 ZINC000057719269 221093236 /nfs/dbraw/zinc/09/32/36/221093236.db2.gz MVDSPUYDYXFGCE-UHFFFAOYSA-N 1 2 350.418 3.517 40 0 FHABLO C[C@H]1C[N@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1cc(-c2cccs2)on1 ZINC000057796534 221094398 /nfs/dbraw/zinc/09/43/98/221094398.db2.gz MLVKHBXRKFEHSP-KBPBESRZSA-N 1 2 371.462 3.731 40 0 FHABLO C[C@H]1C[N@@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1cc(-c2cccs2)on1 ZINC000057796534 221094400 /nfs/dbraw/zinc/09/44/00/221094400.db2.gz MLVKHBXRKFEHSP-KBPBESRZSA-N 1 2 371.462 3.731 40 0 FHABLO COc1cccc(Cc2cnc([C@H]3CCCN3c3cc[nH+]c(C)n3)o2)c1 ZINC000257311763 533550811 /nfs/dbraw/zinc/55/08/11/533550811.db2.gz UKWVYVPBUYQDCW-GOSISDBHSA-N 1 2 350.422 3.714 40 0 FHABLO COc1ccc(CCNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219852039 132275121 /nfs/dbraw/zinc/27/51/21/132275121.db2.gz UYTMBPRVWCRTHL-UHFFFAOYSA-N 1 2 352.478 3.579 40 0 FHABLO CC(C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc[nH+]1 ZINC000329068280 132373314 /nfs/dbraw/zinc/37/33/14/132373314.db2.gz YOGCWRGEXIWRKS-UHFFFAOYSA-N 1 2 352.360 3.758 40 0 FHABLO CC(C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]cn1 ZINC000329068280 132373315 /nfs/dbraw/zinc/37/33/15/132373315.db2.gz YOGCWRGEXIWRKS-UHFFFAOYSA-N 1 2 352.360 3.758 40 0 FHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669825 136129777 /nfs/dbraw/zinc/12/97/77/136129777.db2.gz AUYNJSFTFXCDPD-SFHVURJKSA-N 1 2 370.545 3.708 40 0 FHABLO CC(C)Nc1nc(N2CCCC2)[nH+]c2c1CN(Cc1cccc(F)c1)CC2 ZINC000096254261 222102171 /nfs/dbraw/zinc/10/21/71/222102171.db2.gz YVHSMPSEEJUMMW-UHFFFAOYSA-N 1 2 369.488 3.595 40 0 FHABLO CC(C)Nc1nc(N2CCCC2)nc2c1C[N@H+](Cc1cccc(F)c1)CC2 ZINC000096254261 222102175 /nfs/dbraw/zinc/10/21/75/222102175.db2.gz YVHSMPSEEJUMMW-UHFFFAOYSA-N 1 2 369.488 3.595 40 0 FHABLO CC(C)Nc1nc(N2CCCC2)nc2c1C[N@@H+](Cc1cccc(F)c1)CC2 ZINC000096254261 222102178 /nfs/dbraw/zinc/10/21/78/222102178.db2.gz YVHSMPSEEJUMMW-UHFFFAOYSA-N 1 2 369.488 3.595 40 0 FHABLO Cc1nc2cc([C@H]3CC[N@@H+](C[C@@H](C)c4ccccc4)C3)[nH]n2c(=O)c1C ZINC000100742547 222250067 /nfs/dbraw/zinc/25/00/67/222250067.db2.gz OYBQMBDOBDDHAM-KDOFPFPSSA-N 1 2 350.466 3.645 40 0 FHABLO Cc1nc2cc([C@H]3CC[N@H+](C[C@@H](C)c4ccccc4)C3)[nH]n2c(=O)c1C ZINC000100742547 222250070 /nfs/dbraw/zinc/25/00/70/222250070.db2.gz OYBQMBDOBDDHAM-KDOFPFPSSA-N 1 2 350.466 3.645 40 0 FHABLO Cc1ccc(S[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000031851983 263392335 /nfs/dbraw/zinc/39/23/35/263392335.db2.gz FMUBAYYWDNQNSM-SFHVURJKSA-N 1 2 354.519 3.820 40 0 FHABLO FC(F)(F)c1ccc(-n2ncc3c2COC[C@H]3[NH2+]Cc2ccoc2)cc1 ZINC000306138641 534417367 /nfs/dbraw/zinc/41/73/67/534417367.db2.gz SCXSBLJJIMYACS-MRXNPFEDSA-N 1 2 363.339 3.845 40 0 FHABLO FC(F)(F)c1ccc(-n2ncc3c2COC[C@H]3[NH2+]Cc2ccco2)cc1 ZINC000306143041 534418491 /nfs/dbraw/zinc/41/84/91/534418491.db2.gz XRMZUGYTNAFZKX-MRXNPFEDSA-N 1 2 363.339 3.845 40 0 FHABLO Cc1cnc([C@H]2CCCN(C(=O)Cn3c(C)[nH+]c4ccccc43)C2)s1 ZINC000257275549 534664567 /nfs/dbraw/zinc/66/45/67/534664567.db2.gz NPVWXMVGTAHSEJ-HNNXBMFYSA-N 1 2 354.479 3.516 40 0 FHABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)c1sc(C)nc1C)C2 ZINC000257315599 534667385 /nfs/dbraw/zinc/66/73/85/534667385.db2.gz VCCDBJWKNBWVQE-MRXNPFEDSA-N 1 2 352.463 3.662 40 0 FHABLO Cc1ccc(SCCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020495067 525652454 /nfs/dbraw/zinc/65/24/54/525652454.db2.gz ZVRKALZDMIRLKJ-UHFFFAOYSA-N 1 2 351.475 3.979 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306138791 534877581 /nfs/dbraw/zinc/87/75/81/534877581.db2.gz SHSLKPLPLQUPTJ-APWZRJJASA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306138791 534877585 /nfs/dbraw/zinc/87/75/85/534877585.db2.gz SHSLKPLPLQUPTJ-APWZRJJASA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306138792 534877711 /nfs/dbraw/zinc/87/77/11/534877711.db2.gz SHSLKPLPLQUPTJ-LPHOPBHVSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306138792 534877714 /nfs/dbraw/zinc/87/77/14/534877714.db2.gz SHSLKPLPLQUPTJ-LPHOPBHVSA-N 1 2 371.483 3.763 40 0 FHABLO CC(C)(C)CNc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)C3CC3)C2)cc[nH+]1 ZINC000257341624 527689258 /nfs/dbraw/zinc/68/92/58/527689258.db2.gz ZLDHIZCMSYMEEB-MRXNPFEDSA-N 1 2 367.497 3.656 40 0 FHABLO CCCn1nc(C)c(C(=O)N2CCC(Cc3cc[nH+]c(C)c3)CC2)c1C ZINC000257218196 528870641 /nfs/dbraw/zinc/87/06/41/528870641.db2.gz DCEZQMWECUHEHJ-UHFFFAOYSA-N 1 2 354.498 3.708 40 0 FHABLO CCc1cnc(N2CCC3(CCn4c(-c5ccccc5)c[nH+]c43)CC2)nc1 ZINC000096243533 536057126 /nfs/dbraw/zinc/05/71/26/536057126.db2.gz DLOOCCKUVSAQLI-UHFFFAOYSA-N 1 2 359.477 3.844 40 0 FHABLO O=C([O-])C[C@@H]1CC[N@@H+](C2CCCCC2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289062 560033596 /nfs/dbraw/zinc/03/35/96/560033596.db2.gz MZABUSPAVFEZKI-GJZGRUSLSA-N 1 2 373.472 3.990 40 0 biogenic,in-vitro FHABLO O=C([O-])C[C@@H]1CC[N@H+](C2CCCCC2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289062 560033598 /nfs/dbraw/zinc/03/35/98/560033598.db2.gz MZABUSPAVFEZKI-GJZGRUSLSA-N 1 2 373.472 3.990 40 0 biogenic,in-vitro FHABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000225480336 560042737 /nfs/dbraw/zinc/04/27/37/560042737.db2.gz RBAMZJBIEUIUKO-HOCLYGCPSA-N 1 2 362.351 3.679 40 0 biogenic,in-vitro FHABLO O=C1Nc2ccccc2O[C@H]2C[C@@H]1[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000225480336 560042738 /nfs/dbraw/zinc/04/27/38/560042738.db2.gz RBAMZJBIEUIUKO-HOCLYGCPSA-N 1 2 362.351 3.679 40 0 biogenic,in-vitro FHABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1N1CCc2ccccc2C1 ZINC000072222842 570534964 /nfs/dbraw/zinc/53/49/64/570534964.db2.gz UVGVNGVFGITGMU-UHFFFAOYSA-N 1 2 353.466 3.977 40 0 FHABLO CC(C)N1C(=O)S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000408961443 570703854 /nfs/dbraw/zinc/70/38/54/570703854.db2.gz SVUCEJHVEYAZFS-ATVHPVEESA-N 1 2 355.463 3.988 40 0 FHABLO C[C@@H](NC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2C)C1)c1ccccc1 ZINC000012145807 570722777 /nfs/dbraw/zinc/72/27/77/570722777.db2.gz KQOGQNHCCYUNTL-SJLPKXTDSA-N 1 2 362.477 3.667 40 0 FHABLO O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000224848975 571002252 /nfs/dbraw/zinc/00/22/52/571002252.db2.gz MSGCSUIJCQLEFY-UHFFFAOYSA-N 1 2 361.430 3.702 40 0 FHABLO O=C(Nc1cccc(Br)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038833966 571086955 /nfs/dbraw/zinc/08/69/55/571086955.db2.gz SPIWMDCPLZUACD-UHFFFAOYSA-N 1 2 356.223 3.946 40 0 FHABLO CCOC(=O)c1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1C ZINC000044911726 571104738 /nfs/dbraw/zinc/10/47/38/571104738.db2.gz SBURKYSXJQAYHS-UHFFFAOYSA-N 1 2 363.417 3.669 40 0 FHABLO C[C@H]1CCc2[nH]c3ccc(C(=O)N4CC[C@H](c5[nH+]ccn5C)C4)cc3c2C1 ZINC000328780929 571164114 /nfs/dbraw/zinc/16/41/14/571164114.db2.gz MRSMQLAPZWGEIB-HOCLYGCPSA-N 1 2 362.477 3.656 40 0 FHABLO COc1cccc(OC)c1C[N@@H+]1[C@@H]2CC[C@H]1c1cnc(C(C)C)nc1C2 ZINC000072341920 571179543 /nfs/dbraw/zinc/17/95/43/571179543.db2.gz GNCWJQAACMERPK-KDOFPFPSSA-N 1 2 353.466 3.879 40 0 FHABLO COc1cccc(OC)c1C[N@H+]1[C@@H]2CC[C@H]1c1cnc(C(C)C)nc1C2 ZINC000072341920 571179544 /nfs/dbraw/zinc/17/95/44/571179544.db2.gz GNCWJQAACMERPK-KDOFPFPSSA-N 1 2 353.466 3.879 40 0 FHABLO c1cnc(Nc2nccc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)n2)nc1 ZINC000072377843 571186479 /nfs/dbraw/zinc/18/64/79/571186479.db2.gz UDFCJMSBSMAHLW-KRWDZBQOSA-N 1 2 352.486 3.770 40 0 FHABLO c1cnc(Nc2nccc([C@H]3CCC[N@H+](CC4CCCCC4)C3)n2)nc1 ZINC000072377843 571186482 /nfs/dbraw/zinc/18/64/82/571186482.db2.gz UDFCJMSBSMAHLW-KRWDZBQOSA-N 1 2 352.486 3.770 40 0 FHABLO O=C(c1cccs1)N1Cc2cccn2C[C@H](CCNc2cccc[nH+]2)C1 ZINC000585095259 571219912 /nfs/dbraw/zinc/21/99/12/571219912.db2.gz KSUMMKSDKJPYQM-INIZCTEOSA-N 1 2 366.490 3.719 40 0 FHABLO Cc1cccnc1CN1CCn2c(CCOCC3CCC3)c[nH+]c2[C@@H]1C ZINC000585098535 571221326 /nfs/dbraw/zinc/22/13/26/571221326.db2.gz URXRRXLPAORPDV-KRWDZBQOSA-N 1 2 354.498 3.523 40 0 FHABLO COc1ccccc1Cc1cnc([C@H]2CCCN2c2cc(C)[nH+]cn2)o1 ZINC000585178799 571238051 /nfs/dbraw/zinc/23/80/51/571238051.db2.gz HUJMRFGCOSEKRI-QGZVFWFLSA-N 1 2 350.422 3.714 40 0 FHABLO CNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329050646 529833326 /nfs/dbraw/zinc/83/33/26/529833326.db2.gz UUADYPQGXFNUKH-UHFFFAOYSA-N 1 2 360.339 3.671 40 0 FHABLO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCCC[N@@H+]3Cc3cncs3)n2)n1 ZINC000257234591 223030398 /nfs/dbraw/zinc/03/03/98/223030398.db2.gz GUGODNIOSLXOER-MRXNPFEDSA-N 1 2 354.483 3.667 40 0 FHABLO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCCC[N@H+]3Cc3cncs3)n2)n1 ZINC000257234591 223030401 /nfs/dbraw/zinc/03/04/01/223030401.db2.gz GUGODNIOSLXOER-MRXNPFEDSA-N 1 2 354.483 3.667 40 0 FHABLO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ncccc2F)n1 ZINC000257260843 223041877 /nfs/dbraw/zinc/04/18/77/223041877.db2.gz LERDTMPWYZQQKK-SFHVURJKSA-N 1 2 353.401 3.620 40 0 FHABLO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@H+]2Cc2ncccc2F)n1 ZINC000257260843 223041880 /nfs/dbraw/zinc/04/18/80/223041880.db2.gz LERDTMPWYZQQKK-SFHVURJKSA-N 1 2 353.401 3.620 40 0 FHABLO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@H+]2Cc2nccn2C(C)C)n1 ZINC000257337769 223071090 /nfs/dbraw/zinc/07/10/90/223071090.db2.gz YUHBERTYGQTZIS-SFHVURJKSA-N 1 2 366.469 3.863 40 0 FHABLO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@@H+]2Cc2nccn2C(C)C)n1 ZINC000257337769 223071091 /nfs/dbraw/zinc/07/10/91/223071091.db2.gz YUHBERTYGQTZIS-SFHVURJKSA-N 1 2 366.469 3.863 40 0 FHABLO Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2[nH+]ccn2C(C)C)n1 ZINC000257337769 223071094 /nfs/dbraw/zinc/07/10/94/223071094.db2.gz YUHBERTYGQTZIS-SFHVURJKSA-N 1 2 366.469 3.863 40 0 FHABLO Cc1cc(F)ccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329007179 223128491 /nfs/dbraw/zinc/12/84/91/223128491.db2.gz LIASNSWDFLGDRQ-CQSZACIVSA-N 1 2 352.413 3.549 40 0 FHABLO Cc1sc2c(C3CCN(C(=O)c4ccncc4)CC3)[nH+]c(C)n2c1C ZINC000019561814 220273197 /nfs/dbraw/zinc/27/31/97/220273197.db2.gz ZESFRNUKIKRDQW-UHFFFAOYSA-N 1 2 354.479 3.736 40 0 FHABLO Fc1ccccc1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000022031804 220373685 /nfs/dbraw/zinc/37/36/85/220373685.db2.gz JLNHNNNPXXYDDF-UHFFFAOYSA-N 1 2 363.274 3.906 40 0 FHABLO O[C@](/C=C/c1ccc(Br)cc1)(Cn1cc[nH+]c1)c1ccccn1 ZINC000022115063 220376730 /nfs/dbraw/zinc/37/67/30/220376730.db2.gz HWVCWHYWRZUVID-GFOMBABLSA-N 1 2 370.250 3.642 40 0 FHABLO Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN2Cc2c[nH+]cn2C)n1 ZINC000072384435 221491477 /nfs/dbraw/zinc/49/14/77/221491477.db2.gz GJGSDDINVJXFTP-KRWDZBQOSA-N 1 2 367.428 3.787 40 0 FHABLO Cc1cc(Oc2ccccc2F)nc([C@H]2CCCN2Cc2c[nH+]cn2C)n1 ZINC000072384436 221490512 /nfs/dbraw/zinc/49/05/12/221490512.db2.gz GJGSDDINVJXFTP-QGZVFWFLSA-N 1 2 367.428 3.787 40 0 FHABLO Cc1cc(N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)nc[nH+]1 ZINC000257216916 132294985 /nfs/dbraw/zinc/29/49/85/132294985.db2.gz CWQQTKIYLMUXQD-INIZCTEOSA-N 1 2 352.413 3.887 40 0 FHABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]cn1)C2 ZINC000329058459 132373053 /nfs/dbraw/zinc/37/30/53/132373053.db2.gz WCYXPINFQWZKJI-MRXNPFEDSA-N 1 2 360.461 3.705 40 0 FHABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc[nH+]1)C2 ZINC000329058459 132373054 /nfs/dbraw/zinc/37/30/54/132373054.db2.gz WCYXPINFQWZKJI-MRXNPFEDSA-N 1 2 360.461 3.705 40 0 FHABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cc1OC ZINC000329050793 534191576 /nfs/dbraw/zinc/19/15/76/534191576.db2.gz UUXMGLFMWJQZPZ-UHFFFAOYSA-N 1 2 370.453 3.525 40 0 FHABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329024885 522135819 /nfs/dbraw/zinc/13/58/19/522135819.db2.gz PCXDJNAMDXRVEN-UHFFFAOYSA-N 1 2 352.438 3.661 40 0 FHABLO Clc1ccccc1Cc1cccc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)n1 ZINC000257272418 534652573 /nfs/dbraw/zinc/65/25/73/534652573.db2.gz NCIMMEFRADRUCQ-IBGZPJMESA-N 1 2 368.868 3.622 40 0 FHABLO CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020044638 522884070 /nfs/dbraw/zinc/88/40/70/522884070.db2.gz JRJOJECQDLNPBR-FQEVSTJZSA-N 1 2 363.461 3.963 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000306135290 534877195 /nfs/dbraw/zinc/87/71/95/534877195.db2.gz OMNOJRDGMGDTEL-LPHOPBHVSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000306135290 534877199 /nfs/dbraw/zinc/87/71/99/534877199.db2.gz OMNOJRDGMGDTEL-LPHOPBHVSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000306143539 534877859 /nfs/dbraw/zinc/87/78/59/534877859.db2.gz YFBHLAYSUFOAED-PKOBYXMFSA-N 1 2 371.483 3.763 40 0 FHABLO O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000306143539 534877864 /nfs/dbraw/zinc/87/78/64/534877864.db2.gz YFBHLAYSUFOAED-PKOBYXMFSA-N 1 2 371.483 3.763 40 0 FHABLO CCNc1nc(Nc2c(C)cc(Br)cc2C)cc(C2CC2)[nH+]1 ZINC000329067295 528000652 /nfs/dbraw/zinc/00/06/52/528000652.db2.gz YHNOLWMVHNIUMW-UHFFFAOYSA-N 1 2 361.287 3.753 40 0 FHABLO CCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669664 535722697 /nfs/dbraw/zinc/72/26/97/535722697.db2.gz RKKWKSUAABDTOA-LJQANCHMSA-N 1 2 370.545 3.708 40 0 FHABLO CCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057669674 535723057 /nfs/dbraw/zinc/72/30/57/535723057.db2.gz MOGZKOFSCMJTOA-GOSISDBHSA-N 1 2 370.545 3.708 40 0 FHABLO O=C([O-])C[C@@H]1CC[N@@H+](C2CCCCC2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514290111 560030680 /nfs/dbraw/zinc/03/06/80/560030680.db2.gz TWPNGPZIWWUXSA-HOTGVXAUSA-N 1 2 355.482 3.851 40 0 biogenic,in-vitro FHABLO O=C([O-])C[C@@H]1CC[N@H+](C2CCCCC2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514290111 560030682 /nfs/dbraw/zinc/03/06/82/560030682.db2.gz TWPNGPZIWWUXSA-HOTGVXAUSA-N 1 2 355.482 3.851 40 0 biogenic,in-vitro FHABLO Fc1ccc(OCC[NH+]2CCOCC2)c(Oc2cccc(Cl)c2)c1 ZINC000585266177 570482567 /nfs/dbraw/zinc/48/25/67/570482567.db2.gz FOZNSHOODRTVSK-UHFFFAOYSA-N 1 2 351.805 3.982 40 0 FHABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000072215931 570533566 /nfs/dbraw/zinc/53/35/66/570533566.db2.gz LMUIJKHBSSNVIJ-LJQANCHMSA-N 1 2 371.506 3.516 40 0 FHABLO Cc1cc(N2CCCC2)[nH+]cc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000072218900 570534483 /nfs/dbraw/zinc/53/44/83/570534483.db2.gz PHNOTTVAEZNQQV-UHFFFAOYSA-N 1 2 361.486 3.868 40 0 FHABLO COC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CC[N@H+](C)C2 ZINC000408607484 570578403 /nfs/dbraw/zinc/57/84/03/570578403.db2.gz MPFYROCLCFWDDT-UHFFFAOYSA-N 1 2 370.430 3.521 40 0 FHABLO COC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CC[N@@H+](C)C2 ZINC000408607484 570578408 /nfs/dbraw/zinc/57/84/08/570578408.db2.gz MPFYROCLCFWDDT-UHFFFAOYSA-N 1 2 370.430 3.521 40 0 FHABLO Cc1nc2ccc(NC(=S)N3CCN(c4cccc[nH+]4)CC3)cc2s1 ZINC000408978113 570707006 /nfs/dbraw/zinc/70/70/06/570707006.db2.gz KQAGKVOSNGAGCR-UHFFFAOYSA-N 1 2 369.519 3.519 40 0 FHABLO Cc1ccc2c(C)nc(NC3=[NH+]CN([C@H]4CCC[C@@H](C)[C@@H]4C)CN3)nc2c1 ZINC000169713643 570862473 /nfs/dbraw/zinc/86/24/73/570862473.db2.gz UVJAURJSRPJZJF-VCBZYWHSSA-N 1 2 366.513 3.659 40 0 FHABLO Cc1c([C@@H]2C[C@H]2c2nc3c(C)ncc(C)n3n2)[nH+]c2c3cccnc3ccn12 ZINC000210248763 570967366 /nfs/dbraw/zinc/96/73/66/570967366.db2.gz ZLHNYULRKIEGAY-HZPDHXFCSA-N 1 2 369.432 3.517 40 0 FHABLO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000030871110 571052175 /nfs/dbraw/zinc/05/21/75/571052175.db2.gz NMCXRJPOEFXFHN-HXUWFJFHSA-N 1 2 363.461 3.963 40 0 FHABLO O=C(OCc1ccccc1)N1CCC(c2[nH+]cc3c(Cl)nccn32)CC1 ZINC000033359145 571064757 /nfs/dbraw/zinc/06/47/57/571064757.db2.gz GICTYCOUGZEHPH-UHFFFAOYSA-N 1 2 370.840 3.899 40 0 FHABLO CC(C)Oc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000075248732 571084444 /nfs/dbraw/zinc/08/44/44/571084444.db2.gz KYIYESWIEPPFDX-RMKNXTFCSA-N 1 2 364.489 3.945 40 0 FHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000072378882 571187314 /nfs/dbraw/zinc/18/73/14/571187314.db2.gz DJNXBVNEJQOOGZ-IBGZPJMESA-N 1 2 360.461 3.736 40 0 FHABLO CCc1ncc(C[N@@H+]2CCC[C@@H]2c2n[nH]cc2-c2ccccc2F)cn1 ZINC000072380395 571188147 /nfs/dbraw/zinc/18/81/47/571188147.db2.gz RMWQVDHWBGHOCK-GOSISDBHSA-N 1 2 351.429 3.905 40 0 FHABLO CCc1ncc(C[N@H+]2CCC[C@@H]2c2n[nH]cc2-c2ccccc2F)cn1 ZINC000072380395 571188148 /nfs/dbraw/zinc/18/81/48/571188148.db2.gz RMWQVDHWBGHOCK-GOSISDBHSA-N 1 2 351.429 3.905 40 0 FHABLO CCc1ncc(C[N@@H+]2CCC[C@@H]2c2n[nH]cc2-c2ccc(F)cc2)cn1 ZINC000072380393 571188165 /nfs/dbraw/zinc/18/81/65/571188165.db2.gz LEXPLXDKSBUJKA-GOSISDBHSA-N 1 2 351.429 3.905 40 0 FHABLO CCc1ncc(C[N@H+]2CCC[C@@H]2c2n[nH]cc2-c2ccc(F)cc2)cn1 ZINC000072380393 571188166 /nfs/dbraw/zinc/18/81/66/571188166.db2.gz LEXPLXDKSBUJKA-GOSISDBHSA-N 1 2 351.429 3.905 40 0 FHABLO CC(=O)Oc1cc2c(s1)CC[N@@H+]([C@@H](C(=O)C1CC1)c1ccccc1)C2 ZINC000077286570 571206091 /nfs/dbraw/zinc/20/60/91/571206091.db2.gz OPKDRZXNRYIANV-LJQANCHMSA-N 1 2 355.459 3.752 40 0 in-vitro FHABLO CC(=O)Oc1cc2c(s1)CC[N@H+]([C@@H](C(=O)C1CC1)c1ccccc1)C2 ZINC000077286570 571206094 /nfs/dbraw/zinc/20/60/94/571206094.db2.gz OPKDRZXNRYIANV-LJQANCHMSA-N 1 2 355.459 3.752 40 0 in-vitro FHABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4cccc(Cl)c4)C3)C2)n1 ZINC000585105439 571223650 /nfs/dbraw/zinc/22/36/50/571223650.db2.gz WNAFWNLFOKQKMO-HXUWFJFHSA-N 1 2 372.896 3.994 40 0 FHABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)[nH+]1 ZINC000257235878 223032597 /nfs/dbraw/zinc/03/25/97/223032597.db2.gz GZYHXNABLCHISE-KRWDZBQOSA-N 1 2 350.466 3.549 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257311264 223061724 /nfs/dbraw/zinc/06/17/24/223061724.db2.gz UISKWJLIIAXABD-QGZVFWFLSA-N 1 2 352.442 3.507 40 0 FHABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257311264 223061727 /nfs/dbraw/zinc/06/17/27/223061727.db2.gz UISKWJLIIAXABD-QGZVFWFLSA-N 1 2 352.442 3.507 40 0 FHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000257328463 223067416 /nfs/dbraw/zinc/06/74/16/223067416.db2.gz XFSRDMIAWCRXEO-OAQYLSRUSA-N 1 2 366.440 3.678 40 0 FHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000257328463 223067418 /nfs/dbraw/zinc/06/74/18/223067418.db2.gz XFSRDMIAWCRXEO-OAQYLSRUSA-N 1 2 366.440 3.678 40 0 FHABLO Cc1ccccc1C[N@@H+]1CCc2nc3cc(C(C)(C)C)[nH]n3c(=O)c2C1 ZINC000012666881 220017106 /nfs/dbraw/zinc/01/71/06/220017106.db2.gz RTQHTSNEEODKHZ-UHFFFAOYSA-N 1 2 350.466 3.599 40 0 FHABLO Cc1ccccc1C[N@H+]1CCc2nc3cc(C(C)(C)C)[nH]n3c(=O)c2C1 ZINC000012666881 220017109 /nfs/dbraw/zinc/01/71/09/220017109.db2.gz RTQHTSNEEODKHZ-UHFFFAOYSA-N 1 2 350.466 3.599 40 0 FHABLO Cc1csc2c(C3CCN(C(=O)c4oc(C)nc4C)CC3)[nH+]c(C)n12 ZINC000019240558 220243116 /nfs/dbraw/zinc/24/31/16/220243116.db2.gz IDGRANYTHRQIMG-UHFFFAOYSA-N 1 2 358.467 3.637 40 0 FHABLO Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC000019240151 220243207 /nfs/dbraw/zinc/24/32/07/220243207.db2.gz LDHCAHWORXONSH-DZGCQCFKSA-N 1 2 360.508 3.761 40 0 FHABLO CCc1cc(C(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)n(C)n1 ZINC000019522171 220266668 /nfs/dbraw/zinc/26/66/68/220266668.db2.gz ARTNVDCAWGFEIA-UHFFFAOYSA-N 1 2 373.460 3.896 40 0 FHABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000019561127 220273239 /nfs/dbraw/zinc/27/32/39/220273239.db2.gz SNNXESBSKGADHL-JOCHJYFZSA-N 1 2 364.445 3.826 40 0 FHABLO COc1ccc(C[N@H+]2CCO[C@@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000019561127 220273243 /nfs/dbraw/zinc/27/32/43/220273243.db2.gz SNNXESBSKGADHL-JOCHJYFZSA-N 1 2 364.445 3.826 40 0 FHABLO Cc1oc2c(c1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)CCCC2 ZINC000019581339 220275653 /nfs/dbraw/zinc/27/56/53/220275653.db2.gz HXOZAQDNOMDEQZ-IBGZPJMESA-N 1 2 367.424 3.859 40 0 FHABLO Cc1oc2c(c1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)CCCC2 ZINC000019581342 220276605 /nfs/dbraw/zinc/27/66/05/220276605.db2.gz HXOZAQDNOMDEQZ-LJQANCHMSA-N 1 2 367.424 3.859 40 0 FHABLO CNc1cc([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)cc[nH+]1 ZINC000257244955 533053521 /nfs/dbraw/zinc/05/35/21/533053521.db2.gz INLOEQPTILNQEZ-CQSZACIVSA-N 1 2 352.413 3.764 40 0 FHABLO Cc1nn(C)cc1-c1c[nH+]cn1CC1(c2ccc(C)cc2)CCOCC1 ZINC000019719441 220292326 /nfs/dbraw/zinc/29/23/26/220292326.db2.gz VPEWKWUWGACZFH-UHFFFAOYSA-N 1 2 350.466 3.649 40 0 FHABLO Cc1nn(C)cc1-c1c[nH+]cn1CC1(c2cccc(C)c2)CCOCC1 ZINC000019719440 220292597 /nfs/dbraw/zinc/29/25/97/220292597.db2.gz OEKRIMCZQMXPBQ-UHFFFAOYSA-N 1 2 350.466 3.649 40 0 FHABLO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000020120943 220314132 /nfs/dbraw/zinc/31/41/32/220314132.db2.gz HHEQFZZYJGMPDN-HXUWFJFHSA-N 1 2 361.493 3.966 40 0 FHABLO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000020120943 220314135 /nfs/dbraw/zinc/31/41/35/220314135.db2.gz HHEQFZZYJGMPDN-HXUWFJFHSA-N 1 2 361.493 3.966 40 0 FHABLO CCOC(=O)c1ccccc1Nc1cc(N)[nH+]c(-c2ccc(F)cc2)n1 ZINC000049467984 221022717 /nfs/dbraw/zinc/02/27/17/221022717.db2.gz LIYRAHLKUMGVHV-UHFFFAOYSA-N 1 2 352.369 3.785 40 0 FHABLO COc1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1 ZINC000053536562 221047581 /nfs/dbraw/zinc/04/75/81/221047581.db2.gz JPQIWJYIAZVPAN-GOSISDBHSA-N 1 2 351.450 3.753 40 0 FHABLO COc1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1 ZINC000053536562 221047583 /nfs/dbraw/zinc/04/75/83/221047583.db2.gz JPQIWJYIAZVPAN-GOSISDBHSA-N 1 2 351.450 3.753 40 0 FHABLO Cc1c2c(c(Cl)nc1-c1ccccc1)C(=NC[C@@H]1CCCO1)NC2=[NH2+] ZINC000066091471 221240191 /nfs/dbraw/zinc/24/01/91/221240191.db2.gz OTORFRUNAWLKMO-ZDUSSCGKSA-N 1 2 354.841 3.565 40 0 FHABLO Cc1c2c(c(Cl)nc1-c1ccccc1)C(=NC[C@H]1CCCO1)NC2=[NH2+] ZINC000066091472 221240500 /nfs/dbraw/zinc/24/05/00/221240500.db2.gz OTORFRUNAWLKMO-CYBMUJFWSA-N 1 2 354.841 3.565 40 0 FHABLO Cc1ccc(OCCNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219861303 132275100 /nfs/dbraw/zinc/27/51/00/132275100.db2.gz OELPAHDQMOLLJL-UHFFFAOYSA-N 1 2 352.478 3.715 40 0 FHABLO COc1cccc(CCCNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1 ZINC000219861054 132275215 /nfs/dbraw/zinc/27/52/15/132275215.db2.gz FUCVEVBBBVNYDZ-UHFFFAOYSA-N 1 2 366.505 3.969 40 0 FHABLO COc1ccc(F)cc1S(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000224977817 132284072 /nfs/dbraw/zinc/28/40/72/132284072.db2.gz YZTQRWXHOFOEKN-UHFFFAOYSA-N 1 2 364.442 3.625 40 0 FHABLO CC[C@@H](c1nnnn1C1CCCC1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057669543 136129609 /nfs/dbraw/zinc/12/96/09/136129609.db2.gz MFBJMXPLOUBIIG-IBGZPJMESA-N 1 2 368.529 3.678 40 0 FHABLO CCCC[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670187 136129812 /nfs/dbraw/zinc/12/98/12/136129812.db2.gz ZGKXRILWFNZSHA-LJQANCHMSA-N 1 2 370.545 3.924 40 0 FHABLO Cc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCc3ccccc3)C2)s1 ZINC000096060806 222006791 /nfs/dbraw/zinc/00/67/91/222006791.db2.gz LZTOXIRCGMVWOK-KRWDZBQOSA-N 1 2 368.506 3.501 40 0 FHABLO Cc1ccc(C[N@H+]2Cc3nnn(C)c3[C@H](COCc3ccccc3)C2)s1 ZINC000096060806 222006794 /nfs/dbraw/zinc/00/67/94/222006794.db2.gz LZTOXIRCGMVWOK-KRWDZBQOSA-N 1 2 368.506 3.501 40 0 FHABLO COc1cc2ccccc2cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020452785 263380461 /nfs/dbraw/zinc/38/04/61/263380461.db2.gz CEPVAHXLUYAEHR-UHFFFAOYSA-N 1 2 357.413 3.964 40 0 FHABLO Cc1c(Br)cccc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329054778 533710403 /nfs/dbraw/zinc/71/04/03/533710403.db2.gz VLIISWVZHMERQX-UHFFFAOYSA-N 1 2 359.271 3.587 40 0 FHABLO Cc1ccc(-c2cn3c4c(n(C)c3[nH+]2)CCN(Cc2ccncc2)C4)cc1 ZINC000306137131 534193740 /nfs/dbraw/zinc/19/37/40/534193740.db2.gz QMDBZLJKGJXGHT-UHFFFAOYSA-N 1 2 357.461 3.602 40 0 FHABLO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020109134 522897567 /nfs/dbraw/zinc/89/75/67/522897567.db2.gz DIJMWXUEWSKCDE-SFHVURJKSA-N 1 2 369.852 4.000 40 0 FHABLO C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020112101 525946284 /nfs/dbraw/zinc/94/62/84/525946284.db2.gz LOQWWHKYQFPLMP-AWEZNQCLSA-N 1 2 355.825 3.609 40 0 FHABLO CC[C@@H](C)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(C2CC2)[nH+]1 ZINC000328996548 535567534 /nfs/dbraw/zinc/56/75/34/535567534.db2.gz JKDVWRIBZSHYFX-OAHLLOKOSA-N 1 2 367.497 3.567 40 0 FHABLO CC(=O)NCCCCCNc1ccc2[nH]c(-c3ccc(O)cc3)[nH+]c2c1 ZINC000045206855 570540184 /nfs/dbraw/zinc/54/01/84/570540184.db2.gz KILDFABGYQUVIL-UHFFFAOYSA-N 1 2 352.438 3.654 40 0 FHABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Br ZINC000115994833 570549011 /nfs/dbraw/zinc/54/90/11/570549011.db2.gz IHXLLLWVGDACKC-UHFFFAOYSA-N 1 2 356.223 3.565 40 0 FHABLO CC(C)N(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1)C(C)C ZINC000012114986 570719222 /nfs/dbraw/zinc/71/92/22/570719222.db2.gz APGPUDDBJQAYLW-MRXNPFEDSA-N 1 2 350.413 3.616 40 0 FHABLO C[C@@H](NC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1)c1cccs1 ZINC000012116349 570719866 /nfs/dbraw/zinc/71/98/66/570719866.db2.gz ORCLAVBEBBCJPH-CQSZACIVSA-N 1 2 368.506 3.729 40 0 FHABLO C=COCCCNc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(OC)cc2)n1 ZINC000012221396 570728989 /nfs/dbraw/zinc/72/89/89/570728989.db2.gz HYLVTHJEVHBKEF-UHFFFAOYSA-N 1 2 351.410 3.504 40 0 FHABLO C[C@H]1CN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC000012221179 570729095 /nfs/dbraw/zinc/72/90/95/570729095.db2.gz LZJCDBPMPHZWCU-STQMWFEESA-N 1 2 369.856 3.801 40 0 FHABLO CCCSc1nnc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000225732573 571060051 /nfs/dbraw/zinc/06/00/51/571060051.db2.gz RBVWCMDBTSZODK-UHFFFAOYSA-N 1 2 359.480 3.537 40 0 FHABLO CCn1cc(-c2c[nH+]cn2CC2(c3cccc(C)c3)CCOCC2)cn1 ZINC000036752016 571081528 /nfs/dbraw/zinc/08/15/28/571081528.db2.gz YPURTADXAJRXFC-UHFFFAOYSA-N 1 2 350.466 3.823 40 0 FHABLO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000060016604 571092396 /nfs/dbraw/zinc/09/23/96/571092396.db2.gz INXUSRUAMUXTRN-KZBONISLSA-N 1 2 367.493 3.931 40 0 FHABLO O=C(Nc1ccccc1C(F)(F)F)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044949196 571105664 /nfs/dbraw/zinc/10/56/64/571105664.db2.gz IGFNLQYNLUKOSP-UHFFFAOYSA-N 1 2 364.367 3.790 40 0 FHABLO Fc1cccc(C(F)(F)F)c1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000328989056 571106223 /nfs/dbraw/zinc/10/62/23/571106223.db2.gz IIKGSKYLIBHXRJ-UHFFFAOYSA-N 1 2 352.335 3.674 40 0 FHABLO Cc1ncsc1C[N@H+]1Cc2cccn2[C@@H](CCOCc2cccnc2)C1 ZINC000248013927 571127113 /nfs/dbraw/zinc/12/71/13/571127113.db2.gz GVMIRSHJEQIPOZ-IBGZPJMESA-N 1 2 368.506 3.812 40 0 FHABLO Cc1ncsc1C[N@@H+]1Cc2cccn2[C@@H](CCOCc2cccnc2)C1 ZINC000248013927 571127115 /nfs/dbraw/zinc/12/71/15/571127115.db2.gz GVMIRSHJEQIPOZ-IBGZPJMESA-N 1 2 368.506 3.812 40 0 FHABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](OCc1cccc(C)n1)CCO2 ZINC000253599857 571138888 /nfs/dbraw/zinc/13/88/88/571138888.db2.gz VNHASUKWPRDTJY-GOSISDBHSA-N 1 2 358.507 3.710 40 0 FHABLO O=C1NC[C@]2(CCC[N@@H+](Cc3c(F)cccc3Cl)C2)Oc2ccccc21 ZINC000072328093 571178624 /nfs/dbraw/zinc/17/86/24/571178624.db2.gz OMBFAIFFUWWBPL-FQEVSTJZSA-N 1 2 374.843 3.636 40 0 FHABLO O=C1NC[C@]2(CCC[N@H+](Cc3c(F)cccc3Cl)C2)Oc2ccccc21 ZINC000072328093 571178627 /nfs/dbraw/zinc/17/86/27/571178627.db2.gz OMBFAIFFUWWBPL-FQEVSTJZSA-N 1 2 374.843 3.636 40 0 FHABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)Nc2ccccc2)cc[nH+]1 ZINC000072360783 571184321 /nfs/dbraw/zinc/18/43/21/571184321.db2.gz FTKDGZPVVFKSGT-QGZVFWFLSA-N 1 2 362.437 3.813 40 0 FHABLO Fc1ccccc1Oc1cncc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072362999 571184811 /nfs/dbraw/zinc/18/48/11/571184811.db2.gz WYQSIBXTEVDMRM-AWEZNQCLSA-N 1 2 353.401 3.511 40 0 FHABLO Fc1ccccc1Oc1cncc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072362999 571184814 /nfs/dbraw/zinc/18/48/14/571184814.db2.gz WYQSIBXTEVDMRM-AWEZNQCLSA-N 1 2 353.401 3.511 40 0 FHABLO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)n1 ZINC000072390512 571189924 /nfs/dbraw/zinc/18/99/24/571189924.db2.gz RAIKHTGHAKEPMM-LJQANCHMSA-N 1 2 361.449 3.675 40 0 FHABLO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)n1 ZINC000072390512 571189925 /nfs/dbraw/zinc/18/99/25/571189925.db2.gz RAIKHTGHAKEPMM-LJQANCHMSA-N 1 2 361.449 3.675 40 0 FHABLO Fc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)cc1F ZINC000585104678 571223826 /nfs/dbraw/zinc/22/38/26/571223826.db2.gz KVQFKXJSVVRVIE-MRXNPFEDSA-N 1 2 362.445 3.637 40 0 FHABLO COc1ccc(OC)c([C@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]2C)c1 ZINC000253592233 571291806 /nfs/dbraw/zinc/29/18/06/571291806.db2.gz UNIQDOGKVALDTM-JLTOFOAXSA-N 1 2 366.461 3.838 40 0 FHABLO COc1ccc(OC)c([C@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3[C@H]2C)c1 ZINC000253592233 571291808 /nfs/dbraw/zinc/29/18/08/571291808.db2.gz UNIQDOGKVALDTM-JLTOFOAXSA-N 1 2 366.461 3.838 40 0 FHABLO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc1OCC ZINC000095534059 571331398 /nfs/dbraw/zinc/33/13/98/571331398.db2.gz UZHDIGATXHLWMR-KRWDZBQOSA-N 1 2 372.856 3.971 40 0 FHABLO CC(C)(C)c1ccc(OCc2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)cc1 ZINC000095534919 571331417 /nfs/dbraw/zinc/33/14/17/571331417.db2.gz CNDXPFFCJWKQOP-SFHVURJKSA-N 1 2 350.466 3.924 40 0 FHABLO